----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:53:33]------------------------- 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 1.721834450081751 0.994101583254668 6.195059826666660 b -1.721834450081748 0.994101583254668 6.195059826666660 c 0.000000000000002 -1.988203166509339 6.195059826666660 Atomic positions (fractional): *1 O 0.22815313658801 0.22815313658801 0.22815313658801 15.999 2 O 0.77184686341199 0.77184686341199 0.77184686341199 15.999 *3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *4 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.443668900163499 0.000000000000000 0.000000000000000 b -1.721834450081750 2.982304749764007 0.000000000000000 c 0.000000000000000 0.000000000000000 18.585179480000001 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22815313658801 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.10518019674532 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.56148646992135 15.999 > 1 4 O 0.33333333333333 0.66666666666667 0.43851353007865 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.89481980325468 15.999 > 1 6 O 0.00000000000000 0.00000000000000 0.77184686341199 15.999 > 2 *7 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 8 K 0.66666666666667 0.33333333333333 0.33333333333333 39.098 > 3 9 K 0.33333333333333 0.66666666666667 0.66666666666667 39.098 > 3 *10 Y 0.33333333333333 0.66666666666667 0.16666666666667 88.906 > 4 11 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 4 12 Y 0.66666666666667 0.33333333333333 0.83333333333333 88.906 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.331006700490498 0.000000000000000 0.000000000000000 b -5.165503350245250 8.946914249292021 0.000000000000000 c 0.000000000000000 0.000000000000000 18.585179480000001 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.22815313658801 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22815313658801 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22815313658801 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22815313658801 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22815313658801 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22815313658801 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22815313658801 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22815313658801 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22815313658801 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10518019674532 15.999 > 2 11 O 0.55555555555556 0.11111111111111 0.10518019674532 15.999 > 2 12 O 0.88888888888889 0.11111111111111 0.10518019674532 15.999 > 2 13 O 0.22222222222222 0.44444444444444 0.10518019674532 15.999 > 2 14 O 0.55555555555556 0.44444444444444 0.10518019674532 15.999 > 2 15 O 0.88888888888889 0.44444444444444 0.10518019674532 15.999 > 2 16 O 0.22222222222222 0.77777777777778 0.10518019674532 15.999 > 2 17 O 0.55555555555556 0.77777777777778 0.10518019674532 15.999 > 2 18 O 0.88888888888889 0.77777777777778 0.10518019674532 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.56148646992135 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56148646992135 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56148646992135 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56148646992135 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56148646992135 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56148646992135 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56148646992135 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56148646992135 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56148646992135 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43851353007865 15.999 > 2 29 O 0.44444444444444 0.22222222222222 0.43851353007865 15.999 > 2 30 O 0.77777777777778 0.22222222222222 0.43851353007865 15.999 > 2 31 O 0.11111111111111 0.55555555555556 0.43851353007865 15.999 > 2 32 O 0.44444444444444 0.55555555555556 0.43851353007865 15.999 > 2 33 O 0.77777777777778 0.55555555555556 0.43851353007865 15.999 > 2 34 O 0.11111111111111 0.88888888888889 0.43851353007865 15.999 > 2 35 O 0.44444444444444 0.88888888888889 0.43851353007865 15.999 > 2 36 O 0.77777777777778 0.88888888888889 0.43851353007865 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.89481980325468 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89481980325468 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89481980325468 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89481980325468 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89481980325468 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89481980325468 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89481980325468 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89481980325468 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89481980325468 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77184686341199 15.999 > 2 47 O 0.33333333333333 0.00000000000000 0.77184686341199 15.999 > 2 48 O 0.66666666666667 0.00000000000000 0.77184686341199 15.999 > 2 49 O 0.00000000000000 0.33333333333333 0.77184686341199 15.999 > 2 50 O 0.33333333333333 0.33333333333333 0.77184686341199 15.999 > 2 51 O 0.66666666666667 0.33333333333333 0.77184686341199 15.999 > 2 52 O 0.00000000000000 0.66666666666667 0.77184686341199 15.999 > 2 53 O 0.33333333333333 0.66666666666667 0.77184686341199 15.999 > 2 54 O 0.66666666666667 0.66666666666667 0.77184686341199 15.999 > 2 *55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 3 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 3 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 3 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 3 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 3 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 3 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 3 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 3 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 3 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 3 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 3 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 3 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 3 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 3 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 3 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 3 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 3 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 3 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 3 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 3 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 3 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 3 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 3 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 3 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 3 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 3 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 3 *82 Y 0.11111111111111 0.22222222222222 0.16666666666667 88.906 > 4 83 Y 0.44444444444444 0.22222222222222 0.16666666666667 88.906 > 4 84 Y 0.77777777777778 0.22222222222222 0.16666666666667 88.906 > 4 85 Y 0.11111111111111 0.55555555555556 0.16666666666667 88.906 > 4 86 Y 0.44444444444444 0.55555555555556 0.16666666666667 88.906 > 4 87 Y 0.77777777777778 0.55555555555556 0.16666666666667 88.906 > 4 88 Y 0.11111111111111 0.88888888888889 0.16666666666667 88.906 > 4 89 Y 0.44444444444444 0.88888888888889 0.16666666666667 88.906 > 4 90 Y 0.77777777777778 0.88888888888889 0.16666666666667 88.906 > 4 91 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 4 92 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 4 93 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 4 94 Y 0.00000000000000 0.33333333333333 0.50000000000000 88.906 > 4 95 Y 0.33333333333333 0.33333333333333 0.50000000000000 88.906 > 4 96 Y 0.66666666666667 0.33333333333333 0.50000000000000 88.906 > 4 97 Y 0.00000000000000 0.66666666666667 0.50000000000000 88.906 > 4 98 Y 0.33333333333333 0.66666666666667 0.50000000000000 88.906 > 4 99 Y 0.66666666666667 0.66666666666667 0.50000000000000 88.906 > 4 100 Y 0.22222222222222 0.11111111111111 0.83333333333333 88.906 > 4 101 Y 0.55555555555556 0.11111111111111 0.83333333333333 88.906 > 4 102 Y 0.88888888888889 0.11111111111111 0.83333333333333 88.906 > 4 103 Y 0.22222222222222 0.44444444444444 0.83333333333333 88.906 > 4 104 Y 0.55555555555556 0.44444444444444 0.83333333333333 88.906 > 4 105 Y 0.88888888888889 0.44444444444444 0.83333333333333 88.906 > 4 106 Y 0.22222222222222 0.77777777777778 0.83333333333333 88.906 > 4 107 Y 0.55555555555556 0.77777777777778 0.83333333333333 88.906 > 4 108 Y 0.88888888888889 0.77777777777778 0.83333333333333 88.906 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8072624 -0.0000000 0.0000000 0.0000000 3.8072624 0.0000000 0.0000000 0.0000000 3.2571292 -------------------------- Born effective charges -------------------------- 1 O -2.5924503 0.0000000 0.0000000 0.0000000 -2.5924503 0.0000000 0.0000000 0.0000000 -1.9450409 2 O -2.5924503 0.0000000 0.0000000 0.0000000 -2.5924503 0.0000000 0.0000000 0.0000000 -1.9450409 3 K 1.0378825 -0.0000000 0.0000000 0.0000000 1.0378825 0.0000000 0.0000000 0.0000000 1.5661981 4 Y 4.1470181 -0.0000000 0.0000000 0.0000000 4.1470181 0.0000000 0.0000000 0.0000000 2.3238837 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 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: 0.127 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.134 --------------------------------- 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: 192 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 22:53:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:53:37]------------------------- 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 1.721834450081751 0.994101583254668 6.195059826666660 b -1.721834450081748 0.994101583254668 6.195059826666660 c 0.000000000000002 -1.988203166509339 6.195059826666660 Atomic positions (fractional): 1 O 0.22815313658801 0.22815313658801 0.22815313658801 15.999 2 O 0.77184686341199 0.77184686341199 0.77184686341199 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.331006700490498 0.000000000000000 0.000000000000000 b -5.165503350245250 8.946914249292021 0.000000000000000 c 0.000000000000000 0.000000000000000 18.585179480000001 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22815313658801 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22815313658801 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22815313658801 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22815313658801 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22815313658801 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22815313658801 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22815313658801 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22815313658801 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22815313658801 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10518019674532 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10518019674532 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10518019674532 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10518019674532 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10518019674532 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10518019674532 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10518019674532 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10518019674532 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10518019674532 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56148646992135 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56148646992135 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56148646992135 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56148646992135 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56148646992135 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56148646992135 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56148646992135 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56148646992135 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56148646992135 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43851353007865 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43851353007865 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43851353007865 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43851353007865 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43851353007865 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43851353007865 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43851353007865 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43851353007865 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43851353007865 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89481980325468 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89481980325468 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89481980325468 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89481980325468 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89481980325468 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89481980325468 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89481980325468 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89481980325468 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89481980325468 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77184686341199 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77184686341199 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77184686341199 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77184686341199 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77184686341199 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77184686341199 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77184686341199 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77184686341199 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77184686341199 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 Y 0.11111111111111 0.22222222222222 0.16666666666667 88.906 > 82 83 Y 0.44444444444444 0.22222222222222 0.16666666666667 88.906 > 82 84 Y 0.77777777777778 0.22222222222222 0.16666666666667 88.906 > 82 85 Y 0.11111111111111 0.55555555555556 0.16666666666667 88.906 > 82 86 Y 0.44444444444444 0.55555555555556 0.16666666666667 88.906 > 82 87 Y 0.77777777777778 0.55555555555556 0.16666666666667 88.906 > 82 88 Y 0.11111111111111 0.88888888888889 0.16666666666667 88.906 > 82 89 Y 0.44444444444444 0.88888888888889 0.16666666666667 88.906 > 82 90 Y 0.77777777777778 0.88888888888889 0.16666666666667 88.906 > 82 91 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 82 92 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 82 93 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 82 94 Y 0.00000000000000 0.33333333333333 0.50000000000000 88.906 > 82 95 Y 0.33333333333333 0.33333333333333 0.50000000000000 88.906 > 82 96 Y 0.66666666666667 0.33333333333333 0.50000000000000 88.906 > 82 97 Y 0.00000000000000 0.66666666666667 0.50000000000000 88.906 > 82 98 Y 0.33333333333333 0.66666666666667 0.50000000000000 88.906 > 82 99 Y 0.66666666666667 0.66666666666667 0.50000000000000 88.906 > 82 100 Y 0.22222222222222 0.11111111111111 0.83333333333333 88.906 > 82 101 Y 0.55555555555556 0.11111111111111 0.83333333333333 88.906 > 82 102 Y 0.88888888888889 0.11111111111111 0.83333333333333 88.906 > 82 103 Y 0.22222222222222 0.44444444444444 0.83333333333333 88.906 > 82 104 Y 0.55555555555556 0.44444444444444 0.83333333333333 88.906 > 82 105 Y 0.88888888888889 0.44444444444444 0.83333333333333 88.906 > 82 106 Y 0.22222222222222 0.77777777777778 0.83333333333333 88.906 > 82 107 Y 0.55555555555556 0.77777777777778 0.83333333333333 88.906 > 82 108 Y 0.88888888888889 0.77777777777778 0.83333333333333 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8072624 -0.0000000 0.0000000 0.0000000 3.8072624 0.0000000 0.0000000 0.0000000 3.2571292 -------------------------- Born effective charges -------------------------- 1 O -2.5924503 0.0000000 0.0000000 0.0000000 -2.5924503 0.0000000 0.0000000 0.0000000 -1.9450409 2 O -2.5924503 0.0000000 0.0000000 0.0000000 -2.5924503 0.0000000 0.0000000 0.0000000 -1.9450409 3 K 1.0378825 -0.0000000 0.0000000 0.0000000 1.0378825 0.0000000 0.0000000 0.0000000 1.5661981 4 Y 4.1470181 -0.0000000 0.0000000 0.0000000 4.1470181 0.0000000 0.0000000 0.0000000 2.3238837 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 22:53:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:53:42]------------------------- 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 1.721834450081751 0.994101583254668 6.195059826666660 b -1.721834450081748 0.994101583254668 6.195059826666660 c 0.000000000000002 -1.988203166509339 6.195059826666660 Atomic positions (fractional): 1 O 0.22815313658801 0.22815313658801 0.22815313658801 15.999 2 O 0.77184686341199 0.77184686341199 0.77184686341199 15.999 3 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 4 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.331006700490498 0.000000000000000 0.000000000000000 b -5.165503350245250 8.946914249292021 0.000000000000000 c 0.000000000000000 0.000000000000000 18.585179480000001 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.22815313658801 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.22815313658801 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.22815313658801 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.22815313658801 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.22815313658801 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.22815313658801 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.22815313658801 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.22815313658801 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.22815313658801 15.999 > 1 10 O 0.22222222222222 0.11111111111111 0.10518019674532 15.999 > 10 11 O 0.55555555555556 0.11111111111111 0.10518019674532 15.999 > 10 12 O 0.88888888888889 0.11111111111111 0.10518019674532 15.999 > 10 13 O 0.22222222222222 0.44444444444444 0.10518019674532 15.999 > 10 14 O 0.55555555555556 0.44444444444444 0.10518019674532 15.999 > 10 15 O 0.88888888888889 0.44444444444444 0.10518019674532 15.999 > 10 16 O 0.22222222222222 0.77777777777778 0.10518019674532 15.999 > 10 17 O 0.55555555555556 0.77777777777778 0.10518019674532 15.999 > 10 18 O 0.88888888888889 0.77777777777778 0.10518019674532 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.56148646992135 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.56148646992135 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.56148646992135 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.56148646992135 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.56148646992135 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.56148646992135 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.56148646992135 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.56148646992135 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.56148646992135 15.999 > 1 28 O 0.11111111111111 0.22222222222222 0.43851353007865 15.999 > 10 29 O 0.44444444444444 0.22222222222222 0.43851353007865 15.999 > 10 30 O 0.77777777777778 0.22222222222222 0.43851353007865 15.999 > 10 31 O 0.11111111111111 0.55555555555556 0.43851353007865 15.999 > 10 32 O 0.44444444444444 0.55555555555556 0.43851353007865 15.999 > 10 33 O 0.77777777777778 0.55555555555556 0.43851353007865 15.999 > 10 34 O 0.11111111111111 0.88888888888889 0.43851353007865 15.999 > 10 35 O 0.44444444444444 0.88888888888889 0.43851353007865 15.999 > 10 36 O 0.77777777777778 0.88888888888889 0.43851353007865 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.89481980325468 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.89481980325468 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.89481980325468 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.89481980325468 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.89481980325468 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.89481980325468 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.89481980325468 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.89481980325468 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.89481980325468 15.999 > 1 46 O 0.00000000000000 0.00000000000000 0.77184686341199 15.999 > 10 47 O 0.33333333333333 0.00000000000000 0.77184686341199 15.999 > 10 48 O 0.66666666666667 0.00000000000000 0.77184686341199 15.999 > 10 49 O 0.00000000000000 0.33333333333333 0.77184686341199 15.999 > 10 50 O 0.33333333333333 0.33333333333333 0.77184686341199 15.999 > 10 51 O 0.66666666666667 0.33333333333333 0.77184686341199 15.999 > 10 52 O 0.00000000000000 0.66666666666667 0.77184686341199 15.999 > 10 53 O 0.33333333333333 0.66666666666667 0.77184686341199 15.999 > 10 54 O 0.66666666666667 0.66666666666667 0.77184686341199 15.999 > 10 55 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 55 56 K 0.33333333333333 0.00000000000000 0.00000000000000 39.098 > 55 57 K 0.66666666666667 0.00000000000000 0.00000000000000 39.098 > 55 58 K 0.00000000000000 0.33333333333333 0.00000000000000 39.098 > 55 59 K 0.33333333333333 0.33333333333333 0.00000000000000 39.098 > 55 60 K 0.66666666666667 0.33333333333333 0.00000000000000 39.098 > 55 61 K 0.00000000000000 0.66666666666667 0.00000000000000 39.098 > 55 62 K 0.33333333333333 0.66666666666667 0.00000000000000 39.098 > 55 63 K 0.66666666666667 0.66666666666667 0.00000000000000 39.098 > 55 64 K 0.22222222222222 0.11111111111111 0.33333333333333 39.098 > 55 65 K 0.55555555555556 0.11111111111111 0.33333333333333 39.098 > 55 66 K 0.88888888888889 0.11111111111111 0.33333333333333 39.098 > 55 67 K 0.22222222222222 0.44444444444444 0.33333333333333 39.098 > 55 68 K 0.55555555555556 0.44444444444444 0.33333333333333 39.098 > 55 69 K 0.88888888888889 0.44444444444444 0.33333333333333 39.098 > 55 70 K 0.22222222222222 0.77777777777778 0.33333333333333 39.098 > 55 71 K 0.55555555555556 0.77777777777778 0.33333333333333 39.098 > 55 72 K 0.88888888888889 0.77777777777778 0.33333333333333 39.098 > 55 73 K 0.11111111111111 0.22222222222222 0.66666666666667 39.098 > 55 74 K 0.44444444444444 0.22222222222222 0.66666666666667 39.098 > 55 75 K 0.77777777777778 0.22222222222222 0.66666666666667 39.098 > 55 76 K 0.11111111111111 0.55555555555556 0.66666666666667 39.098 > 55 77 K 0.44444444444444 0.55555555555556 0.66666666666667 39.098 > 55 78 K 0.77777777777778 0.55555555555556 0.66666666666667 39.098 > 55 79 K 0.11111111111111 0.88888888888889 0.66666666666667 39.098 > 55 80 K 0.44444444444444 0.88888888888889 0.66666666666667 39.098 > 55 81 K 0.77777777777778 0.88888888888889 0.66666666666667 39.098 > 55 82 Y 0.11111111111111 0.22222222222222 0.16666666666667 88.906 > 82 83 Y 0.44444444444444 0.22222222222222 0.16666666666667 88.906 > 82 84 Y 0.77777777777778 0.22222222222222 0.16666666666667 88.906 > 82 85 Y 0.11111111111111 0.55555555555556 0.16666666666667 88.906 > 82 86 Y 0.44444444444444 0.55555555555556 0.16666666666667 88.906 > 82 87 Y 0.77777777777778 0.55555555555556 0.16666666666667 88.906 > 82 88 Y 0.11111111111111 0.88888888888889 0.16666666666667 88.906 > 82 89 Y 0.44444444444444 0.88888888888889 0.16666666666667 88.906 > 82 90 Y 0.77777777777778 0.88888888888889 0.16666666666667 88.906 > 82 91 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 82 92 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 82 93 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 82 94 Y 0.00000000000000 0.33333333333333 0.50000000000000 88.906 > 82 95 Y 0.33333333333333 0.33333333333333 0.50000000000000 88.906 > 82 96 Y 0.66666666666667 0.33333333333333 0.50000000000000 88.906 > 82 97 Y 0.00000000000000 0.66666666666667 0.50000000000000 88.906 > 82 98 Y 0.33333333333333 0.66666666666667 0.50000000000000 88.906 > 82 99 Y 0.66666666666667 0.66666666666667 0.50000000000000 88.906 > 82 100 Y 0.22222222222222 0.11111111111111 0.83333333333333 88.906 > 82 101 Y 0.55555555555556 0.11111111111111 0.83333333333333 88.906 > 82 102 Y 0.88888888888889 0.11111111111111 0.83333333333333 88.906 > 82 103 Y 0.22222222222222 0.44444444444444 0.83333333333333 88.906 > 82 104 Y 0.55555555555556 0.44444444444444 0.83333333333333 88.906 > 82 105 Y 0.88888888888889 0.44444444444444 0.83333333333333 88.906 > 82 106 Y 0.22222222222222 0.77777777777778 0.83333333333333 88.906 > 82 107 Y 0.55555555555556 0.77777777777778 0.83333333333333 88.906 > 82 108 Y 0.88888888888889 0.77777777777778 0.83333333333333 88.906 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8072624 -0.0000000 0.0000000 0.0000000 3.8072624 0.0000000 0.0000000 0.0000000 3.2571292 -------------------------- Born effective charges -------------------------- 1 O -2.5924503 0.0000000 0.0000000 0.0000000 -2.5924503 0.0000000 0.0000000 0.0000000 -1.9450409 2 O -2.5924503 0.0000000 0.0000000 0.0000000 -2.5924503 0.0000000 0.0000000 0.0000000 -1.9450409 3 K 1.0378825 -0.0000000 0.0000000 0.0000000 1.0378825 0.0000000 0.0000000 0.0000000 1.5661981 4 Y 4.1470181 -0.0000000 0.0000000 0.0000000 4.1470181 0.0000000 0.0000000 0.0000000 2.3238837 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 17 17 17 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.04, Number of G-points: 313, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 7.703 ( 0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 11.052 ( 0.000 0.000 0.000) 0.000 14.104 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 25.975 14.997 9.638) 31.504 0.742 ( 32.112 18.540 1.277) 37.102 1.359 ( 57.578 33.243 6.781) 66.830 3.282 ( 2.468 1.425 -0.845) 2.972 3.415 ( 12.374 7.144 -0.394) 14.294 6.129 ( -1.307 -0.755 3.543) 3.851 7.739 ( 3.084 1.781 0.519) 3.599 10.328 ( -17.067 -9.854 -0.722) 19.721 10.561 ( -2.433 -1.405 -0.141) 2.813 11.214 ( 15.631 9.024 -25.566) 31.295 13.971 ( -11.560 -6.674 2.532) 13.586 15.884 ( 1.421 0.820 -13.825) 13.922 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 26.178 15.114 7.153) 31.063 1.462 ( 30.546 17.636 1.473) 35.303 2.625 ( 50.362 29.077 6.733) 58.542 3.363 ( 4.924 2.843 -1.606) 5.909 3.831 ( 24.644 14.228 -0.697) 28.465 6.098 ( -1.915 -1.106 -0.036) 2.212 7.847 ( 6.228 3.596 0.812) 7.237 9.911 ( -18.746 -10.823 0.251) 21.648 10.483 ( -4.193 -2.421 -0.204) 4.845 11.460 ( 10.973 6.335 -14.566) 19.306 13.626 ( -19.194 -11.082 6.383) 23.064 15.840 ( -2.253 -1.301 -10.756) 11.066 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 26.036 15.032 4.467) 30.394 2.127 ( 26.924 15.545 1.695) 31.135 3.499 ( 7.649 4.416 -2.182) 9.097 3.613 ( 33.665 19.436 6.028) 39.337 4.564 ( 39.733 22.940 -0.867) 45.888 6.039 ( -3.073 -1.774 -2.075) 4.110 8.026 ( 9.228 5.328 0.753) 10.682 9.500 ( -16.815 -9.708 -0.365) 19.419 10.378 ( -4.814 -2.779 -0.131) 5.560 11.603 ( 4.938 2.851 -11.735) 13.047 13.168 ( -22.976 -13.265 11.836) 29.050 15.704 ( -6.536 -3.774 -11.943) 14.128 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 25.100 14.492 2.696) 29.108 2.676 ( 20.372 11.762 1.692) 23.584 3.703 ( 11.089 6.402 -2.355) 13.019 4.249 ( 22.435 12.953 4.492) 26.293 5.528 ( 41.972 24.232 -3.339) 48.579 5.947 ( -3.881 -2.240 -0.731) 4.540 8.266 ( 11.479 6.628 0.363) 13.260 9.170 ( -11.301 -6.525 -1.365) 13.121 10.273 ( -4.191 -2.420 0.103) 4.841 11.599 ( -2.146 -1.239 -12.845) 13.082 12.675 ( -24.153 -13.945 18.080) 33.237 15.479 ( -9.246 -5.338 -13.043) 16.856 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 23.194 13.391 2.290) 26.880 3.054 ( 12.555 7.249 1.181) 14.546 3.984 ( 13.681 7.899 -1.878) 15.909 4.704 ( 16.782 9.689 2.565) 19.547 5.772 ( -6.743 -3.893 -7.063) 10.512 6.449 ( 34.050 19.659 2.537) 39.399 8.539 ( 12.114 6.994 -0.206) 13.990 9.011 ( -1.430 -0.826 -2.108) 2.678 10.195 ( -2.624 -1.515 0.455) 3.064 11.426 ( -8.785 -5.072 -15.002) 18.109 12.188 ( -24.278 -14.017 21.503) 35.331 15.225 ( -8.952 -5.168 -12.013) 15.848 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 7.054 4.073 0.551) 8.164 3.519 ( 20.573 11.878 3.053) 23.950 4.284 ( 12.427 7.175 -1.162) 14.397 5.031 ( 11.590 6.692 -1.789) 13.502 5.557 ( -10.163 -5.868 -2.661) 12.033 7.104 ( 22.822 13.176 0.340) 26.355 8.799 ( 10.502 6.063 -0.687) 12.146 9.107 ( 10.237 5.910 -2.145) 12.013 10.159 ( -0.771 -0.445 0.763) 1.172 11.132 ( -12.337 -7.123 -13.418) 19.570 11.698 ( -24.205 -13.975 18.014) 33.252 15.016 ( -6.290 -3.632 -8.614) 11.267 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 3.698 2.135 0.192) 4.274 3.967 ( 17.711 10.226 4.364) 20.912 4.520 ( 8.200 4.734 -0.613) 9.488 5.132 ( -4.825 -2.786 -12.946) 14.094 5.391 ( -0.769 -0.444 7.780) 7.830 7.507 ( 13.075 7.549 -0.510) 15.107 8.998 ( 6.897 3.982 -0.770) 8.001 9.426 ( 17.118 9.883 -1.603) 19.831 10.160 ( 0.446 0.257 0.763) 0.920 10.793 ( -14.977 -8.647 -7.102) 18.695 11.230 ( -19.194 -11.082 9.224) 24.006 14.888 ( -3.248 -1.875 -4.580) 5.920 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 1.169 0.675 0.042) 1.351 4.339 ( 12.272 7.085 4.487) 14.864 4.645 ( 2.821 1.629 -0.192) 3.263 4.872 ( -10.369 -5.987 -7.105) 13.923 5.456 ( 1.910 1.103 2.369) 3.237 7.708 ( 4.583 2.646 -0.329) 5.302 9.102 ( 2.353 1.358 -0.335) 2.737 9.828 ( 16.849 9.728 -0.962) 19.479 10.173 ( 0.383 0.221 0.323) 0.547 10.397 ( -17.048 -9.842 -0.446) 19.690 10.953 ( -6.095 -3.519 1.341) 7.164 14.832 ( -0.942 -0.544 -1.349) 1.733 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 27.897 22.420) 35.790 0.782 ( 0.000 36.174 9.405) 37.376 1.360 ( 0.000 65.406 7.350) 65.818 3.281 ( 0.000 2.934 -1.086) 3.129 3.408 ( 0.000 14.180 -1.809) 14.295 6.141 ( -0.000 -3.653 5.758) 6.820 7.736 ( 0.000 3.416 -0.075) 3.417 10.298 ( -0.000 -17.901 -8.081) 19.641 10.561 ( -0.000 -2.807 -0.191) 2.813 11.125 ( 0.000 27.156 -40.133) 48.457 13.980 ( -0.000 -13.530 4.024) 14.116 15.828 ( 0.000 6.607 -22.797) 23.735 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 12.428 25.497 16.798) 32.965 1.322 ( 16.383 32.135 6.165) 36.593 2.314 ( 31.690 51.570 8.258) 61.089 3.336 ( 2.538 4.922 -1.913) 5.860 3.678 ( 12.306 20.291 -2.051) 23.820 6.108 ( -1.131 -2.515 0.478) 2.799 7.809 ( 3.456 5.122 0.431) 6.194 10.016 ( -9.344 -18.493 -2.081) 20.824 10.504 ( -2.212 -3.795 -0.400) 4.411 11.328 ( 7.809 15.553 -24.119) 29.742 13.751 ( -9.568 -18.097 6.843) 21.584 15.818 ( -0.414 1.514 -15.055) 15.137 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 17.860 22.415 10.625) 30.566 1.948 ( 19.608 27.240 4.331) 33.842 3.325 ( 30.764 33.198 7.891) 45.944 3.455 ( 4.860 8.168 -2.534) 9.837 4.237 ( 26.918 28.298 -2.314) 39.124 6.054 ( -2.045 -2.505 -2.320) 3.979 7.956 ( 6.444 6.963 0.819) 9.523 9.640 ( -13.392 -15.532 -0.570) 20.516 10.418 ( -3.247 -3.578 -0.370) 4.846 11.498 ( 6.270 6.544 -17.360) 19.584 13.372 ( -15.359 -19.980 11.411) 27.664 15.727 ( -4.675 -2.232 -13.395) 14.362 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 20.035 19.784 5.972) 28.783 2.525 ( 17.351 21.575 3.551) 27.913 3.642 ( 6.959 12.222 -3.103) 14.402 4.040 ( 21.618 18.795 6.302) 29.331 5.106 ( 37.263 31.850 -3.126) 49.119 5.976 ( -2.894 -2.489 -2.409) 4.514 8.168 ( 8.983 8.669 0.824) 12.511 9.280 ( -11.961 -11.523 -1.049) 16.641 10.327 ( -3.908 -1.797 -0.194) 4.306 11.544 ( 1.532 -0.661 -15.734) 15.822 12.929 ( -18.165 -20.014 17.021) 31.942 15.534 ( -8.371 -4.885 -13.749) 16.822 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 20.565 16.600 3.357) 26.641 2.966 ( 11.708 15.517 2.433) 19.590 3.915 ( 8.969 16.935 -2.790) 19.366 4.533 ( 16.857 12.398 4.543) 21.413 5.765 ( 3.003 0.540 -13.356) 13.700 6.130 ( 27.250 22.458 7.548) 36.109 8.430 ( 10.336 9.719 0.557) 14.199 9.031 ( -5.419 -6.031 -1.850) 8.316 10.254 ( -3.918 0.828 0.086) 4.005 11.433 ( -4.452 -6.207 -16.405) 18.096 12.474 ( -19.699 -18.967 20.889) 34.411 15.281 ( -9.157 -6.199 -13.073) 17.122 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 8.956 9.258 1.931) 13.025 3.320 ( 17.152 15.377 1.618) 23.093 4.240 ( 8.312 18.960 -2.090) 20.807 4.896 ( 12.455 8.215 1.370) 14.983 5.629 ( -6.712 -5.903 -6.343) 10.960 6.852 ( 25.332 19.167 2.223) 31.844 8.701 ( 9.820 9.342 0.238) 13.555 8.997 ( 5.598 1.006 -2.385) 6.168 10.212 ( -3.440 3.085 0.443) 4.642 11.187 ( -8.700 -9.064 -15.373) 19.854 12.006 ( -21.805 -17.164 19.197) 33.743 15.043 ( -6.578 -6.334 -10.049) 13.578 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( 2.681 7.495 0.609) 7.983 3.775 ( 18.152 12.190 2.150) 21.971 4.529 ( 4.465 17.569 -1.754) 18.212 5.098 ( 3.534 2.612 -7.812) 8.963 5.443 ( -5.397 -4.832 3.563) 8.073 7.354 ( 15.604 11.644 0.548) 19.477 8.940 ( 7.565 8.490 -0.035) 11.372 9.213 ( 15.352 5.866 -2.311) 16.596 10.194 ( -2.818 3.256 0.818) 4.384 10.886 ( -10.398 -9.770 -11.138) 18.100 11.522 ( -22.477 -12.664 12.653) 28.735 14.879 ( -2.571 -5.937 -5.721) 8.636 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.481 ( -0.361 6.256 0.076) 6.267 4.183 ( 15.877 9.544 2.178) 18.652 4.704 ( -1.178 11.504 -2.687) 11.873 4.980 ( -9.495 -1.661 -8.987) 13.178 5.436 ( 2.107 -0.340 6.592) 6.929 7.639 ( 7.960 5.817 0.006) 9.859 9.110 ( 2.605 7.719 -0.259) 8.151 9.580 ( 20.344 6.225 -1.993) 21.368 10.171 ( -2.890 -0.262 1.504) 3.268 10.561 ( -13.001 -10.487 -4.727) 17.360 11.134 ( -15.525 -2.152 4.536) 16.317 14.797 ( 0.776 -5.374 -1.946) 5.768 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( -2.871 4.934 -0.191) 5.711 4.412 ( -2.402 -1.085 -5.929) 6.488 4.701 ( 2.086 3.314 1.954) 4.377 4.884 ( -5.071 11.075 -0.252) 12.184 5.459 ( -0.497 -2.030 2.140) 2.991 7.739 ( -0.167 0.446 0.322) 0.575 9.172 ( -3.000 5.352 -0.186) 6.139 9.968 ( 15.993 -7.236 -1.362) 17.606 10.004 ( -11.052 -1.539 1.296) 11.233 10.346 ( -0.212 2.167 -0.545) 2.245 10.997 ( -4.704 6.782 0.047) 8.253 14.781 ( 3.146 -4.454 0.896) 5.526 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -5.237 3.260 -0.382) 6.180 4.137 ( -15.179 -8.336 -7.267) 18.780 4.726 ( -11.569 8.722 2.052) 14.633 5.061 ( 11.415 7.274 7.125) 15.296 5.387 ( -3.860 -3.881 -3.031) 6.256 7.643 ( -9.009 -4.150 0.799) 9.952 9.112 ( -7.672 1.181 0.037) 7.762 9.601 ( -15.853 -13.828 2.319) 21.164 10.158 ( 2.285 2.280 -1.182) 3.437 10.594 ( 18.045 7.831 1.960) 19.768 11.092 ( 6.554 10.476 -4.033) 12.999 14.824 ( 5.338 -2.734 3.644) 7.018 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( -7.886 0.970 -0.665) 7.973 3.741 ( -18.750 -8.845 -4.818) 21.284 4.545 ( -17.948 5.821 1.624) 18.938 5.160 ( -9.141 -5.549 4.920) 11.770 5.417 ( 12.596 5.113 -1.550) 13.683 7.355 ( -18.308 -8.156 0.669) 20.054 8.941 ( -10.838 -2.985 0.152) 11.242 9.237 ( -12.989 -9.795 2.773) 16.503 10.187 ( -1.398 4.286 -0.707) 4.563 10.987 ( 16.838 5.681 9.689) 20.240 11.393 ( 18.397 11.391 -14.212) 25.888 14.939 ( 7.940 -0.063 6.823) 10.469 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -13.096 -4.557 -1.660) 13.965 3.303 ( -21.144 -5.923 -2.051) 22.053 4.258 ( -20.615 2.811 1.700) 20.875 4.885 ( -14.872 -7.827 -0.756) 16.823 5.676 ( 10.701 3.864 3.292) 11.844 6.840 ( -30.257 -13.091 -0.242) 32.969 8.700 ( -12.852 -4.412 0.091) 13.589 9.021 ( -4.021 -4.202 2.684) 6.405 10.207 ( -0.909 4.760 -0.552) 4.877 11.331 ( 12.911 3.770 14.647) 19.886 11.813 ( 24.460 9.914 -21.103) 33.792 15.137 ( 10.391 2.762 9.549) 14.380 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( -24.884 -9.931 -1.809) 26.853 2.951 ( -19.789 -2.842 -0.874) 20.011 3.936 ( -18.943 0.953 1.766) 19.049 4.500 ( -20.171 -8.810 -2.388) 22.140 5.866 ( 5.913 1.298 6.352) 8.774 6.070 ( -40.595 -15.940 -3.510) 43.753 8.426 ( -13.624 -4.461 -0.169) 14.337 9.049 ( 7.528 1.506 1.873) 7.902 10.252 ( 1.347 3.981 -0.320) 4.215 11.569 ( 6.959 0.984 11.453) 13.437 12.286 ( 27.233 8.729 -17.675) 33.619 15.392 ( 11.148 4.227 10.229) 15.709 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -28.428 -8.538 -1.476) 29.719 2.504 ( -27.633 -4.866 -0.783) 28.069 3.664 ( -13.935 0.111 1.511) 14.017 3.995 ( -28.269 -9.390 -3.024) 29.940 5.122 ( -47.023 -16.100 0.238) 49.703 5.995 ( 4.516 1.213 1.534) 4.922 8.162 ( -12.095 -3.559 -0.424) 12.615 9.289 ( 15.600 4.421 0.781) 16.233 10.328 ( 3.616 2.600 -0.091) 4.455 11.657 ( 0.160 -1.176 7.111) 7.209 12.795 ( 27.810 7.328 -10.392) 30.580 15.641 ( 9.276 3.609 8.443) 13.052 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -30.578 -6.005 -1.604) 31.204 1.926 ( -33.722 -4.347 -0.305) 34.002 3.274 ( -45.609 -9.566 -2.703) 46.680 3.471 ( -9.230 -0.263 0.822) 9.271 4.248 ( -37.855 -8.663 0.135) 38.834 6.067 ( 2.740 0.426 0.516) 2.821 7.950 ( -9.318 -1.925 -0.412) 9.524 9.643 ( 20.022 4.043 -0.034) 20.426 10.420 ( 4.787 1.100 0.042) 4.913 11.607 ( -6.316 -1.653 4.821) 8.116 13.295 ( 25.884 4.627 -4.304) 26.645 15.817 ( 5.527 1.679 5.023) 7.655 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -31.367 -0.000 0.000) 31.367 1.293 ( -36.915 -0.000 0.000) 36.915 2.274 ( -61.556 -0.000 0.000) 61.556 3.345 ( -5.524 -0.000 0.000) 5.524 3.688 ( -23.750 -0.000 0.000) 23.750 6.106 ( 1.545 0.000 -0.000) 1.545 7.807 ( -6.162 -0.000 0.000) 6.162 10.025 ( 21.510 0.000 -0.000) 21.510 10.505 ( 4.407 0.000 -0.000) 4.407 11.449 ( -11.752 -0.000 0.000) 11.752 13.717 ( 20.746 0.000 -0.000) 20.746 15.894 ( 1.879 0.000 -0.000) 1.879 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 27.847 19.476) 33.982 1.535 ( 0.000 34.095 8.698) 35.187 2.636 ( 0.000 57.514 8.042) 58.073 3.357 ( 0.000 5.764 -2.272) 6.196 3.805 ( 0.000 28.016 -3.443) 28.227 6.089 ( -0.000 -2.987 -1.012) 3.153 7.839 ( 0.000 7.164 0.059) 7.164 9.882 ( -0.000 -20.059 -2.863) 20.262 10.481 ( -0.000 -4.917 -0.415) 4.935 11.353 ( 0.000 15.676 -23.634) 28.360 13.647 ( -0.000 -23.236 7.900) 24.542 15.795 ( 0.000 1.687 -14.232) 14.331 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 6.695 26.711 15.440) 31.570 1.995 ( 11.227 30.768 7.310) 33.559 3.327 ( 15.204 42.527 8.092) 45.883 3.452 ( 4.247 8.455 -2.800) 9.867 4.210 ( 12.206 36.572 -4.056) 38.768 6.046 ( -1.028 -2.783 -2.849) 4.113 7.951 ( 3.487 8.998 0.501) 9.663 9.631 ( -5.861 -18.577 -1.075) 19.510 10.414 ( -1.424 -4.794 -0.592) 5.035 11.436 ( 2.726 8.513 -20.591) 22.448 13.370 ( -6.908 -25.464 10.855) 28.530 15.736 ( -2.896 -1.186 -12.586) 12.969 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 11.544 23.767 10.023) 28.260 2.516 ( 13.460 25.671 5.915) 29.583 3.646 ( 7.377 13.779 -3.479) 16.012 3.952 ( 15.472 24.810 6.736) 30.005 4.910 ( 24.680 39.957 -4.584) 47.188 5.986 ( -1.804 -1.813 -2.658) 3.689 8.136 ( 6.392 10.765 1.099) 12.568 9.330 ( -9.075 -14.664 -0.710) 17.259 10.350 ( -1.256 -2.817 -0.594) 3.141 11.457 ( 1.528 0.249 -18.875) 18.938 13.003 ( -10.937 -25.415 15.243) 31.589 15.583 ( -7.216 -4.105 -12.319) 14.856 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 14.503 19.834 5.711) 25.226 2.965 ( 10.591 19.412 4.273) 22.523 3.950 ( 9.036 20.953 -3.393) 23.069 4.417 ( 14.156 15.637 5.232) 21.732 5.613 ( 15.542 15.108 -13.833) 25.713 6.039 ( 10.210 16.192 6.963) 20.369 8.381 ( 8.330 12.123 1.583) 14.794 9.060 ( -7.257 -9.292 -1.398) 11.872 10.316 ( -1.445 1.017 -0.516) 1.841 11.363 ( -1.854 -6.795 -18.485) 19.782 12.606 ( -13.199 -23.973 19.008) 33.320 15.342 ( -9.911 -6.203 -12.108) 16.832 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 14.733 14.442 3.607) 20.944 3.297 ( 7.726 16.359 1.812) 18.182 4.317 ( 7.913 24.264 -3.105) 25.710 4.787 ( 12.125 11.051 3.291) 16.732 5.633 ( -2.947 -4.780 -9.296) 10.860 6.658 ( 23.224 25.224 4.323) 34.559 8.651 ( 8.227 11.150 1.985) 13.998 8.930 ( 0.600 -1.846 -2.403) 3.089 10.314 ( -2.519 5.361 -0.511) 5.945 11.154 ( -5.160 -10.885 -17.235) 21.028 12.198 ( -15.526 -21.484 18.996) 32.610 15.071 ( -8.965 -7.541 -10.374) 15.648 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.424 ( 5.700 9.534 2.317) 11.347 3.637 ( 13.422 16.019 0.245) 20.901 4.641 ( 4.872 19.622 -3.718) 20.557 5.057 ( 5.917 10.482 -2.208) 12.238 5.486 ( -4.831 -5.270 -0.427) 7.162 7.218 ( 16.504 16.116 2.062) 23.160 8.875 ( 9.050 5.514 1.474) 10.699 9.053 ( 9.152 8.171 -2.346) 12.491 10.318 ( -4.664 7.259 -0.703) 8.657 10.890 ( -6.660 -11.296 -13.345) 18.710 11.774 ( -17.855 -16.530 14.369) 28.258 14.844 ( -4.760 -8.490 -6.906) 11.934 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.566 ( 0.361 9.076 0.812) 9.119 4.027 ( 14.835 12.711 -0.202) 19.537 4.802 ( -0.271 5.317 -7.522) 9.216 5.140 ( -6.115 11.960 -5.357) 14.461 5.441 ( 0.168 2.010 8.375) 8.614 7.560 ( 9.488 8.300 0.964) 12.643 9.109 ( 9.428 6.767 1.500) 11.702 9.315 ( 13.223 6.724 -2.649) 15.069 10.279 ( -6.180 4.406 -0.852) 7.638 10.623 ( -9.099 -9.920 -6.835) 15.096 11.394 ( -15.808 -6.095 7.207) 18.412 14.703 ( 0.256 -9.046 -3.064) 9.554 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( -3.039 8.116 -0.092) 8.667 4.359 ( 9.510 7.983 -4.233) 13.118 4.708 ( -3.856 -2.923 -4.520) 6.621 5.152 ( -6.613 13.034 0.439) 14.622 5.491 ( -3.218 6.023 4.536) 8.198 7.725 ( 3.509 2.295 0.665) 4.245 9.277 ( 0.086 8.150 0.694) 8.180 9.604 ( 17.391 -3.566 -2.236) 17.893 10.207 ( -7.837 4.733 1.115) 9.223 10.355 ( -6.785 -7.027 -2.235) 10.020 11.193 ( -9.264 5.182 1.123) 10.674 14.651 ( 4.263 -8.699 0.065) 9.688 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( -5.777 6.067 -0.734) 8.410 4.286 ( -12.364 -3.515 -9.564) 16.022 4.842 ( 11.621 6.286 6.008) 14.514 5.139 ( -7.927 9.600 -0.265) 12.453 5.454 ( -8.432 4.601 1.043) 9.662 7.726 ( -3.762 -2.167 0.819) 4.418 9.264 ( -7.537 2.491 -0.589) 7.959 9.642 ( -3.010 -16.164 1.664) 16.526 10.188 ( -1.493 13.015 -0.812) 13.125 10.387 ( 12.358 1.881 0.880) 12.531 11.157 ( -3.059 8.420 -2.380) 9.269 14.676 ( 7.312 -6.929 2.619) 10.409 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( -8.165 2.764 -1.350) 8.725 3.966 ( -17.149 -3.480 -5.941) 18.480 4.952 ( -14.182 8.334 7.071) 17.904 5.225 ( 12.931 5.574 -1.452) 14.156 5.302 ( -11.955 0.092 -0.969) 11.994 7.558 ( -12.287 -4.880 0.896) 13.251 9.089 ( -10.294 -4.859 -0.507) 11.394 9.369 ( -11.970 -9.442 2.833) 15.507 10.288 ( -2.163 11.128 0.188) 11.338 10.731 ( 20.483 4.601 3.230) 21.241 11.242 ( 6.172 7.042 -7.533) 12.018 14.784 ( 10.120 -3.743 4.965) 11.877 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -11.612 -2.140 -2.150) 12.002 3.610 ( -19.809 -0.996 -2.487) 19.989 4.720 ( -23.309 8.467 4.019) 25.123 5.052 ( -13.608 -4.903 -2.091) 14.615 5.509 ( 13.576 3.493 1.306) 14.079 7.201 ( -23.276 -7.436 0.534) 24.441 8.859 ( -9.958 -5.106 -0.091) 11.191 9.102 ( -10.695 -5.436 2.576) 12.271 10.324 ( -5.026 9.134 0.024) 10.425 11.141 ( 18.978 2.919 12.358) 22.834 11.459 ( 16.921 5.309 -17.763) 25.101 14.979 ( 12.601 -0.204 6.599) 14.226 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -19.766 -5.620 -1.967) 20.643 3.275 ( -19.357 1.001 -0.549) 19.391 4.372 ( -26.227 6.084 2.232) 27.016 4.734 ( -16.430 -6.188 -1.795) 17.648 5.747 ( 10.462 1.749 1.770) 10.754 6.610 ( -36.129 -9.241 -0.083) 37.292 8.629 ( -13.334 -2.584 -0.240) 13.584 8.974 ( 0.688 -2.199 1.981) 3.039 10.317 ( -3.721 5.592 -0.195) 6.720 11.460 ( 10.991 0.497 12.427) 16.598 11.828 ( 26.906 4.573 -17.247) 32.284 15.237 ( 13.684 1.939 6.433) 15.244 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -26.090 -3.656 -0.700) 26.354 2.919 ( -23.387 -0.366 -0.364) 23.393 3.993 ( -22.525 2.364 0.960) 22.669 4.353 ( -21.909 -4.071 -1.149) 22.314 5.814 ( -45.917 -7.466 1.258) 46.537 5.912 ( 6.813 0.981 -0.377) 6.893 8.364 ( -14.358 -1.603 -0.173) 14.449 9.082 ( 11.156 0.716 0.796) 11.208 10.320 ( -0.194 2.242 -0.132) 2.255 11.620 ( 5.190 -0.466 4.287) 6.748 12.321 ( 29.796 2.951 -6.826) 30.710 15.502 ( 12.499 1.778 4.052) 13.260 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -29.787 -0.000 0.000) 29.787 2.458 ( -29.925 -0.000 0.000) 29.925 3.680 ( -15.342 -0.000 0.000) 15.342 3.884 ( -31.123 -0.000 0.000) 31.123 4.954 ( -48.231 -0.000 0.000) 48.231 6.012 ( 4.338 0.000 -0.000) 4.338 8.125 ( -12.317 -0.000 0.000) 12.317 9.338 ( 17.257 0.000 -0.000) 17.257 10.356 ( 3.079 0.000 -0.000) 3.079 11.664 ( -0.420 -0.000 0.000) 0.420 12.834 ( 29.189 0.000 -0.000) 29.189 15.707 ( 9.356 0.000 -0.000) 9.356 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.000 26.362 15.245) 30.453 2.220 ( 0.000 29.495 7.660) 30.474 3.482 ( 0.000 8.919 -3.455) 9.565 3.644 ( 0.000 38.117 7.811) 38.909 4.500 ( 0.000 44.884 -5.081) 45.171 6.019 ( -0.000 -2.150 -3.342) 3.973 8.020 ( 0.000 11.005 0.394) 11.013 9.495 ( -0.000 -17.432 -0.429) 17.437 10.370 ( -0.000 -5.785 -0.622) 5.818 11.420 ( 0.000 5.142 -21.554) 22.159 13.194 ( -0.000 -28.242 11.870) 30.635 15.711 ( -0.000 -2.107 -10.947) 11.147 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 4.159 24.356 11.679) 27.329 2.595 ( 8.498 24.707 6.753) 26.986 3.633 ( 7.153 12.601 -3.715) 14.958 4.052 ( 6.000 27.395 6.133) 28.707 5.023 ( 9.876 44.253 -6.588) 45.818 5.993 ( -0.654 1.177 -1.722) 2.186 8.170 ( 3.523 12.638 0.880) 13.150 9.299 ( -4.376 -14.066 0.192) 14.732 10.315 ( 0.420 -4.656 -0.738) 4.733 11.377 ( 0.212 -1.218 -21.438) 21.474 12.912 ( -4.593 -28.499 14.381) 32.251 15.611 ( -4.495 -4.129 -10.019) 11.732 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 7.629 20.828 7.444) 23.397 2.993 ( 9.992 18.404 5.176) 21.571 3.957 ( 12.891 19.772 -3.308) 23.834 4.411 ( 7.644 18.558 4.283) 20.523 5.520 ( 9.137 17.803 -13.195) 23.970 6.107 ( 5.727 21.200 5.905) 22.740 8.391 ( 6.322 13.900 1.883) 15.386 9.086 ( -6.611 -8.964 -0.337) 11.143 10.304 ( 2.289 -1.238 -0.852) 2.738 11.258 ( -1.402 -7.624 -20.718) 22.121 12.582 ( -7.369 -27.248 16.865) 32.882 15.412 ( -8.982 -6.068 -9.724) 14.562 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 10.172 16.176 4.501) 19.631 3.325 ( 8.657 14.993 2.755) 17.530 4.391 ( 11.201 24.275 -3.413) 26.952 4.720 ( 10.343 12.474 2.772) 16.439 5.591 ( -0.259 -2.004 -9.911) 10.115 6.613 ( 15.378 30.235 5.277) 34.329 8.651 ( 6.511 12.527 3.153) 14.466 8.931 ( -3.335 -1.450 -1.635) 3.987 10.362 ( 2.857 4.127 -1.199) 5.161 11.053 ( -3.407 -12.061 -18.972) 22.738 12.235 ( -9.335 -25.130 17.328) 31.921 15.138 ( -11.056 -7.611 -9.061) 16.194 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( 9.514 10.592 3.307) 14.617 3.625 ( 8.781 16.045 -0.144) 18.292 4.698 ( 4.388 11.979 -4.477) 13.520 5.073 ( 11.183 19.767 -0.973) 22.732 5.507 ( -3.027 -3.039 -1.280) 4.476 7.141 ( 13.937 20.569 3.161) 25.046 8.795 ( 3.340 2.074 1.032) 4.065 9.030 ( 6.549 12.860 0.326) 14.435 10.450 ( -0.794 8.705 -2.694) 9.147 10.809 ( -3.282 -12.811 -14.742) 19.805 11.880 ( -11.042 -21.224 14.773) 28.118 14.851 ( -9.210 -9.050 -7.234) 14.801 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( 5.113 7.858 2.095) 9.606 3.948 ( 10.650 15.921 -2.297) 19.292 4.781 ( 1.484 -0.316 -6.984) 7.147 5.309 ( -3.014 6.597 -3.372) 7.999 5.551 ( 2.461 17.934 6.849) 19.355 7.494 ( 8.924 10.003 1.962) 13.548 8.938 ( 11.079 2.441 0.028) 11.345 9.275 ( 5.930 12.232 1.248) 13.650 10.403 ( -6.834 -2.007 -8.714) 11.255 10.661 ( -3.561 0.227 -3.957) 5.328 11.558 ( -10.386 -12.540 9.512) 18.857 14.620 ( -4.029 -10.480 -4.383) 12.052 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 0.305 7.081 0.395) 7.098 4.270 ( 10.584 13.431 -4.576) 17.702 4.719 ( -2.694 -3.895 -6.443) 7.996 5.261 ( -2.666 -2.634 4.796) 6.086 5.783 ( -6.014 27.137 1.853) 27.857 7.673 ( 5.145 1.797 1.386) 5.623 9.197 ( 15.106 2.264 0.244) 15.277 9.444 ( 1.763 5.871 0.415) 6.144 10.229 ( -2.082 -8.196 -6.596) 10.724 10.563 ( -12.438 7.497 1.130) 14.567 11.372 ( -6.759 0.029 2.853) 7.337 14.488 ( 2.195 -11.096 -1.352) 11.392 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -3.955 4.970 -1.141) 6.453 4.427 ( -6.216 5.466 -10.439) 13.322 4.709 ( 8.984 3.211 2.150) 9.780 5.205 ( -0.761 -6.723 5.649) 8.814 5.861 ( -15.957 25.752 -0.259) 30.296 7.725 ( 1.407 -3.124 1.165) 3.619 9.403 ( -6.944 0.946 -0.326) 7.016 9.442 ( 10.200 -6.859 -0.180) 12.293 10.199 ( 8.383 -4.480 -0.828) 9.541 10.460 ( -10.976 15.454 1.522) 19.016 11.301 ( -5.792 4.866 -1.772) 7.770 14.468 ( 7.522 -9.735 1.222) 12.363 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( -7.181 1.483 -2.094) 7.626 4.229 ( -15.810 3.414 -5.774) 17.174 4.980 ( 13.986 4.455 3.068) 14.996 5.132 ( -1.336 -6.894 2.591) 7.485 5.743 ( -23.547 19.566 -1.223) 30.639 7.665 ( -4.664 -4.444 0.963) 6.514 9.184 ( -9.540 -9.637 -0.350) 13.565 9.452 ( -4.417 -3.615 0.834) 5.768 10.418 ( 16.580 1.563 4.092) 17.149 10.513 ( -3.456 17.739 -1.005) 18.101 11.245 ( -2.929 1.987 -4.991) 6.119 14.559 ( 11.501 -6.313 3.064) 13.473 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( -10.035 -1.361 -2.155) 10.354 3.946 ( -19.245 2.985 -2.382) 19.621 5.019 ( -6.066 -4.467 5.922) 9.582 5.265 ( 10.464 3.893 -3.426) 11.679 5.456 ( -23.563 9.955 -0.109) 25.580 7.471 ( -14.058 -4.087 0.619) 14.653 8.940 ( -8.005 -7.706 0.393) 11.118 9.274 ( -11.837 -2.610 0.915) 12.156 10.559 ( -8.564 13.737 1.966) 16.307 10.819 ( 23.226 2.178 3.852) 23.643 11.249 ( 6.265 -0.893 -8.691) 10.751 14.750 ( 14.295 -2.380 3.759) 14.972 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -14.319 -2.004 -1.289) 14.516 3.625 ( -20.192 1.498 -0.574) 20.255 4.856 ( -13.834 0.947 5.197) 14.808 4.987 ( -26.935 1.163 -4.697) 27.366 5.562 ( 12.949 1.163 0.597) 13.015 7.090 ( -26.539 -3.393 0.215) 26.756 8.775 ( -6.269 -2.558 0.156) 6.772 9.045 ( -11.038 -1.680 0.800) 11.194 10.489 ( -9.736 5.510 0.292) 11.191 11.266 ( 20.848 1.038 15.752) 26.150 11.390 ( 16.810 0.150 -18.319) 24.863 15.009 ( 15.603 0.027 2.774) 15.848 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( -20.645 -0.000 0.000) 20.645 3.287 ( -20.260 -0.000 0.000) 20.260 4.460 ( -29.371 -0.000 0.000) 29.371 4.651 ( -15.645 -0.000 0.000) 15.645 5.769 ( 10.304 0.000 -0.000) 10.304 6.512 ( -38.413 -0.000 0.000) 38.413 8.602 ( -13.333 -0.000 0.000) 13.333 8.958 ( 2.533 0.000 -0.000) 2.533 10.380 ( -5.420 -0.000 0.000) 5.420 11.504 ( 8.749 0.000 -0.000) 8.749 11.812 ( 29.656 0.000 -0.000) 29.656 15.279 ( 14.944 0.000 -0.000) 14.944 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 0.000 22.569 10.331) 24.821 2.769 ( 0.000 21.053 5.965) 21.882 3.676 ( 0.000 13.474 -3.899) 14.027 4.286 ( 0.000 24.831 4.720) 25.275 5.326 ( 0.000 34.163 -10.251) 35.668 6.051 ( 0.000 12.262 2.155) 12.450 8.272 ( 0.000 13.841 0.613) 13.855 9.216 ( -0.000 -10.475 1.231) 10.547 10.256 ( -0.000 -5.080 -0.625) 5.118 11.275 ( -0.000 -5.446 -22.756) 23.399 12.709 ( -0.000 -29.067 14.749) 32.595 15.578 ( -0.000 -5.001 -8.184) 9.591 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 2.603 19.497 7.249) 20.963 3.028 ( 6.578 15.269 4.490) 17.221 3.909 ( 11.124 17.472 -3.140) 20.949 4.535 ( 1.821 19.046 2.181) 19.257 5.531 ( 2.053 9.877 -12.367) 15.960 6.310 ( 3.239 31.693 5.979) 32.414 8.448 ( 3.935 14.523 1.116) 15.088 9.107 ( -3.910 -5.237 1.127) 6.632 10.231 ( 2.619 -3.153 -0.574) 4.139 11.122 ( -0.665 -10.043 -22.113) 24.296 12.445 ( -3.131 -28.148 15.247) 32.165 15.452 ( -5.501 -6.176 -7.245) 10.995 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 5.220 15.534 4.446) 16.980 3.307 ( 9.396 11.459 2.544) 15.035 4.358 ( 18.034 21.715 -2.501) 28.338 4.723 ( 2.831 11.012 -1.037) 11.417 5.558 ( 0.008 0.872 -7.389) 7.440 6.753 ( 7.302 32.674 4.903) 33.837 8.687 ( 5.869 13.747 2.738) 15.196 9.002 ( -5.183 1.482 -0.453) 5.410 10.294 ( 6.556 0.759 -0.741) 6.642 10.917 ( -2.146 -12.935 -19.867) 23.804 12.150 ( -5.215 -26.555 14.813) 30.851 15.227 ( -10.261 -7.225 -6.774) 14.261 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( 7.050 10.931 2.992) 13.347 3.597 ( 10.923 11.679 0.193) 15.992 4.730 ( 1.772 8.658 -5.530) 10.425 4.998 ( 19.300 18.063 -2.069) 26.515 5.533 ( -1.830 0.620 0.396) 1.972 7.183 ( 7.954 23.591 3.363) 25.122 8.829 ( -2.252 5.297 1.802) 6.031 9.064 ( 5.019 13.578 0.655) 14.491 10.459 ( 8.223 6.427 -1.849) 10.599 10.677 ( -3.208 -13.909 -16.293) 21.661 11.844 ( -6.367 -23.947 13.161) 28.058 14.933 ( -12.314 -8.199 -6.095) 16.000 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( 7.036 7.048 2.070) 10.172 3.910 ( 11.452 13.259 -2.407) 17.685 4.738 ( -0.376 -1.410 -6.271) 6.438 5.382 ( 0.274 6.584 -3.214) 7.332 5.645 ( 11.842 18.290 6.339) 22.692 7.485 ( 5.199 12.225 2.298) 13.482 8.864 ( 1.601 5.761 0.007) 5.979 9.307 ( 5.698 12.418 2.797) 13.946 10.405 ( -6.000 -11.096 -13.354) 18.369 10.691 ( 6.629 9.500 -2.015) 11.758 11.564 ( -5.280 -18.513 10.478) 21.918 14.629 ( -10.382 -9.393 -4.757) 14.786 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.747 ( 4.884 4.632 0.637) 6.761 4.223 ( 10.518 13.938 -4.961) 18.153 4.683 ( -0.333 -3.827 -4.614) 6.004 5.318 ( -6.212 -2.695 4.216) 7.977 6.087 ( 6.507 28.289 1.452) 29.064 7.616 ( 2.351 0.879 1.741) 3.055 9.013 ( 8.845 5.613 -0.222) 10.478 9.490 ( 2.469 7.334 3.082) 8.329 10.157 ( -4.713 -11.711 -9.358) 15.714 10.820 ( -4.723 11.835 -0.837) 12.770 11.411 ( -0.026 -7.149 5.579) 9.068 14.386 ( -4.527 -10.512 -2.722) 11.764 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( 0.336 2.451 -1.195) 2.747 4.498 ( 6.658 13.748 -8.423) 17.444 4.641 ( 0.666 -1.451 -0.632) 1.717 5.179 ( -4.916 -8.571 7.115) 12.176 6.369 ( -8.558 30.006 -0.263) 31.204 7.627 ( 3.444 -7.707 1.569) 8.587 9.229 ( 9.991 1.215 -0.402) 10.073 9.523 ( -5.060 2.108 1.148) 5.600 10.012 ( 4.345 -9.036 -3.478) 10.612 10.799 ( -9.864 13.312 1.536) 16.640 11.402 ( -1.564 1.414 -0.269) 2.126 14.268 ( 3.450 -9.988 -0.422) 10.575 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( -4.587 0.246 -2.017) 5.017 4.517 ( -11.667 8.313 -4.840) 15.121 4.797 ( 11.871 5.240 -3.092) 13.340 5.058 ( 0.424 -11.471 7.943) 13.959 6.358 ( -22.906 22.594 -0.918) 32.187 7.617 ( 3.904 -7.914 1.189) 8.904 9.230 ( -6.120 -7.829 -0.340) 9.943 9.481 ( -1.239 2.020 -0.339) 2.394 10.128 ( 15.518 -2.570 0.696) 15.745 10.806 ( -6.909 16.333 2.598) 17.924 11.327 ( -7.032 -0.937 -3.760) 8.029 14.307 ( 10.405 -6.722 1.226) 12.448 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( -8.015 -0.637 -1.332) 8.150 4.302 ( -18.599 4.061 -1.700) 19.113 5.011 ( 2.390 -3.386 -2.180) 4.683 5.054 ( 12.797 0.226 4.359) 13.521 6.054 ( -29.984 9.822 -0.667) 31.559 7.585 ( -2.839 -3.142 0.499) 4.264 9.017 ( -8.982 -5.090 0.103) 10.325 9.423 ( -6.800 -0.571 -0.005) 6.824 10.450 ( 21.795 0.445 1.160) 21.830 10.873 ( -7.987 15.888 3.786) 18.182 11.154 ( -3.288 -7.739 -5.733) 10.177 14.483 ( 14.470 -2.530 1.417) 14.757 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.512 ( -10.789 -0.000 0.000) 10.789 3.981 ( -20.344 -0.000 0.000) 20.344 4.979 ( -3.546 -0.000 0.000) 3.546 5.296 ( 11.656 0.000 -0.000) 11.656 5.570 ( -29.283 -0.000 0.000) 29.283 7.427 ( -14.446 -0.000 0.000) 14.446 8.858 ( -6.515 -0.000 0.000) 6.515 9.252 ( -12.159 -0.000 0.000) 12.159 10.735 ( -13.711 -0.000 0.000) 13.711 10.865 ( 24.357 0.000 -0.000) 24.357 11.172 ( 8.712 0.000 -0.000) 8.712 14.738 ( 16.009 0.000 -0.000) 16.009 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 0.000 16.798 5.343) 17.627 3.113 ( 0.000 11.303 3.089) 11.718 3.964 ( 0.000 17.212 -2.655) 17.416 4.697 ( 0.000 14.866 -1.460) 14.937 5.548 ( 0.000 4.092 -8.750) 9.659 6.638 ( 0.000 35.146 5.253) 35.536 8.556 ( 0.000 14.053 0.286) 14.055 9.122 ( 0.000 0.413 1.955) 1.998 10.174 ( -0.000 -2.737 -0.172) 2.742 10.944 ( -0.000 -12.829 -21.353) 24.910 12.241 ( -0.000 -27.584 13.778) 30.834 15.419 ( -0.000 -6.478 -5.532) 8.519 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( 1.723 13.306 3.073) 13.764 3.270 ( 6.260 8.130 1.571) 10.381 4.253 ( 14.018 17.885 -1.795) 22.795 4.793 ( -0.405 7.216 -6.090) 9.451 5.566 ( -0.252 3.872 -2.782) 4.774 7.004 ( 2.475 30.565 4.014) 30.926 8.733 ( 4.748 13.127 0.808) 13.982 9.124 ( -4.122 6.442 0.904) 7.701 10.191 ( 4.369 -0.641 0.194) 4.420 10.744 ( -0.391 -13.909 -18.607) 23.234 11.995 ( -2.322 -26.312 12.041) 29.030 15.285 ( -6.206 -6.766 -4.652) 10.292 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 3.882 9.509 1.862) 10.438 3.497 ( 11.046 7.380 -0.058) 13.285 4.731 ( 14.033 14.337 -3.912) 20.440 4.815 ( 8.132 4.341 -6.101) 11.054 5.592 ( -1.789 4.282 2.545) 5.293 7.331 ( 3.446 22.390 2.762) 22.821 8.939 ( 1.874 10.477 2.635) 10.965 9.147 ( -1.273 12.437 -1.222) 12.562 10.319 ( 10.114 1.396 0.279) 10.214 10.543 ( -1.631 -12.232 -15.272) 19.635 11.728 ( -3.677 -23.992 10.097) 26.289 15.050 ( -11.389 -6.933 -4.213) 13.983 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 5.525 6.179 1.144) 8.367 3.786 ( 14.012 7.891 -1.653) 16.166 4.722 ( -1.735 -2.073 -7.028) 7.530 5.342 ( 20.280 16.640 -3.928) 26.525 5.616 ( 1.838 3.910 7.290) 8.474 7.566 ( 1.934 13.564 1.929) 13.836 8.986 ( -5.487 10.052 0.601) 11.467 9.335 ( 5.690 11.455 1.323) 12.859 10.336 ( -3.516 -10.756 -11.247) 15.954 10.575 ( 14.411 5.605 -1.515) 15.537 11.475 ( -3.540 -19.643 8.365) 21.642 14.748 ( -13.887 -7.124 -3.735) 16.048 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 5.873 3.553 0.280) 6.870 4.108 ( 14.674 8.487 -3.308) 17.271 4.650 ( -1.352 -2.933 -3.964) 5.114 5.447 ( -7.706 1.700 2.313) 8.223 6.055 ( 23.998 17.494 1.859) 29.756 7.656 ( -2.945 4.417 1.484) 5.512 9.023 ( -0.926 9.809 -0.174) 9.855 9.509 ( 3.924 5.236 2.771) 7.106 10.120 ( -6.617 -8.958 -8.475) 13.995 10.885 ( 11.314 10.032 -3.060) 15.427 11.302 ( 0.754 -13.139 7.340) 15.069 14.435 ( -12.329 -7.430 -2.840) 14.673 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 3.967 1.445 -0.728) 4.284 4.421 ( 13.145 8.953 -5.112) 16.706 4.608 ( 0.615 -2.057 -0.538) 2.213 5.284 ( -11.202 -3.072 4.062) 12.305 6.605 ( 15.427 22.326 0.088) 27.138 7.559 ( -6.895 -6.756 1.287) 9.738 9.144 ( 4.395 6.832 -0.157) 8.125 9.598 ( 1.352 2.204 3.031) 3.984 9.894 ( -5.128 -9.416 -5.695) 12.140 11.033 ( -3.858 8.948 -0.584) 9.761 11.342 ( 8.886 -2.691 2.483) 9.610 14.193 ( -5.773 -7.018 -1.402) 9.196 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( -0.518 0.106 -1.002) 1.133 4.634 ( 3.441 -0.012 0.982) 3.578 4.693 ( 9.702 9.532 -6.686) 15.156 5.044 ( -11.542 -7.788 5.616) 15.013 6.916 ( -12.843 24.238 -0.919) 27.446 7.391 ( 6.992 -16.236 1.339) 17.728 9.238 ( 0.337 0.046 -0.165) 0.378 9.569 ( -7.009 2.049 0.160) 7.304 9.854 ( 11.759 -4.832 -0.739) 12.735 11.031 ( -4.575 7.186 1.370) 8.628 11.407 ( -2.102 -0.240 -1.177) 2.421 14.119 ( 4.164 -4.216 -0.051) 5.926 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( -5.017 -0.000 0.000) 5.017 4.612 ( -12.385 -0.000 0.000) 12.385 4.881 ( 4.952 0.000 -0.000) 4.952 4.904 ( 7.619 0.000 -0.000) 7.619 6.615 ( -28.770 -0.000 0.000) 28.770 7.511 ( 8.905 0.000 -0.000) 8.905 9.148 ( -8.459 -0.000 0.000) 8.459 9.499 ( -3.073 -0.000 0.000) 3.073 10.105 ( 18.500 0.000 -0.000) 18.500 11.030 ( -0.816 -0.000 0.000) 0.816 11.259 ( -12.757 -0.000 0.000) 12.757 14.241 ( 11.697 0.000 -0.000) 11.697 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 0.000 5.605 0.752) 5.655 3.322 ( 0.000 10.326 0.855) 10.361 4.283 ( 0.000 15.449 -1.206) 15.496 4.814 ( 0.000 1.294 -9.701) 9.787 5.622 ( 0.000 6.663 1.655) 6.866 7.270 ( 0.000 24.601 2.730) 24.752 8.805 ( 0.000 10.841 -0.576) 10.856 9.258 ( 0.000 11.817 1.315) 11.890 10.154 ( 0.000 0.575 0.673) 0.885 10.553 ( -0.000 -13.780 -15.146) 20.477 11.792 ( -0.000 -25.254 9.332) 26.923 15.263 ( -0.000 -6.300 -3.273) 7.100 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 6.689 4.155 0.757) 7.911 3.422 ( 1.833 7.430 -1.253) 7.755 4.559 ( 15.520 13.500 -0.931) 20.591 4.769 ( -0.642 -2.230 -9.597) 9.874 5.688 ( -1.546 6.619 3.780) 7.777 7.497 ( 1.361 17.419 1.432) 17.531 8.958 ( 6.225 9.077 0.042) 11.006 9.350 ( -5.074 15.067 -0.424) 15.905 10.201 ( 4.126 0.297 1.349) 4.351 10.393 ( 0.871 -10.483 -11.153) 15.331 11.565 ( -1.396 -22.886 6.911) 23.948 15.136 ( -6.742 -5.729 -2.591) 9.219 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( 3.657 4.386 0.013) 5.711 3.606 ( 12.663 4.239 -1.418) 13.429 4.700 ( -1.083 -2.860 -6.916) 7.562 5.047 ( 26.132 11.875 -1.327) 28.734 5.709 ( -3.914 4.046 4.507) 7.211 7.667 ( 1.546 11.049 0.784) 11.184 9.150 ( 2.967 8.928 1.736) 9.567 9.400 ( -3.363 13.001 -2.563) 13.672 10.238 ( 2.177 -7.138 -3.961) 8.449 10.377 ( 8.466 -0.075 -2.356) 8.788 11.355 ( -1.411 -17.743 4.980) 18.483 14.910 ( -12.377 -5.016 -2.245) 13.542 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( 5.050 2.451 -0.303) 5.621 3.890 ( 16.072 3.812 -1.529) 16.589 4.637 ( -1.278 -2.169 -3.668) 4.449 5.577 ( 6.642 9.325 -2.937) 11.819 5.725 ( 17.329 2.160 5.660) 18.357 7.759 ( -1.412 5.695 0.736) 5.914 9.207 ( -6.511 11.102 0.230) 12.873 9.480 ( 3.097 1.816 -0.184) 3.594 10.153 ( -5.432 -2.072 -4.455) 7.325 10.621 ( 20.491 -0.824 -0.680) 20.518 11.217 ( -0.489 -9.383 3.750) 10.116 14.616 ( -15.373 -4.193 -1.806) 16.036 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 5.207 0.895 -0.332) 5.294 4.204 ( 16.857 2.867 -1.524) 17.167 4.594 ( -0.884 -1.029 -1.014) 1.694 5.481 ( -11.315 0.518 1.338) 11.406 6.307 ( 31.864 6.638 0.389) 32.551 7.706 ( -9.371 0.738 0.553) 9.416 9.206 ( -3.380 7.129 -0.216) 7.893 9.534 ( 4.680 -2.520 0.876) 5.387 9.979 ( -10.752 -2.003 -2.499) 11.219 11.003 ( 20.858 3.065 -2.564) 21.237 11.167 ( 0.372 -3.790 3.842) 5.409 14.317 ( -13.990 -2.889 -0.979) 14.319 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( 3.383 0.000 -0.000) 3.383 4.496 ( 15.437 0.000 -0.000) 15.437 4.587 ( 1.159 0.000 -0.000) 1.159 5.263 ( -14.182 -0.000 0.000) 14.182 6.866 ( 27.739 0.000 -0.000) 27.739 7.457 ( -19.013 -0.000 0.000) 19.013 9.225 ( 1.099 0.000 -0.000) 1.099 9.636 ( 8.792 0.000 -0.000) 8.792 9.760 ( -11.990 -0.000 0.000) 11.990 11.125 ( -2.781 -0.000 0.000) 2.781 11.325 ( 12.040 0.000 -0.000) 12.040 14.116 ( -6.487 -0.000 0.000) 6.487 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 0.000 2.725 -0.164) 2.730 3.461 ( 0.000 4.593 -2.043) 5.027 4.533 ( 0.000 10.097 -0.455) 10.107 4.717 ( -0.000 -3.240 -8.134) 8.756 5.780 ( 0.000 6.203 3.693) 7.219 7.630 ( 0.000 11.578 0.063) 11.578 8.965 ( 0.000 5.923 -1.082) 6.021 9.560 ( 0.000 16.863 -0.265) 16.865 10.195 ( 0.000 2.570 1.110) 2.799 10.248 ( -0.000 -9.896 -6.204) 11.680 11.377 ( -0.000 -20.497 4.275) 20.938 15.138 ( -0.000 -4.558 -1.610) 4.835 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 7.544 1.853 0.036) 7.768 3.505 ( 1.954 2.664 -2.230) 3.987 4.663 ( -0.284 -2.610 -5.231) 5.853 4.760 ( 16.327 7.088 -0.427) 17.804 5.821 ( -2.621 3.989 2.911) 5.591 7.730 ( 1.270 6.775 -0.398) 6.905 9.087 ( 8.283 4.239 -0.368) 9.312 9.655 ( -7.410 15.136 -2.329) 17.013 10.127 ( 0.730 -6.840 0.627) 6.907 10.280 ( 3.933 0.676 -1.482) 4.257 11.210 ( 0.405 -15.012 2.391) 15.207 15.034 ( -7.101 -3.282 -1.114) 7.902 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.568 ( 3.809 1.103 -0.490) 3.995 3.653 ( 13.588 1.343 -0.681) 13.671 4.625 ( -0.534 -1.298 -2.262) 2.662 5.202 ( 28.095 4.232 -0.520) 28.417 5.783 ( -5.742 1.314 1.860) 6.177 7.803 ( 1.303 3.118 -0.073) 3.380 9.284 ( 8.572 3.384 0.716) 9.244 9.577 ( -12.134 5.418 -2.351) 13.495 10.184 ( 6.207 3.053 0.763) 6.959 10.313 ( 5.406 -5.834 -0.918) 8.006 11.132 ( 2.147 -6.120 1.209) 6.598 14.831 ( -12.986 -1.833 -0.701) 13.133 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( 4.961 0.000 -0.000) 4.961 3.922 ( 16.753 0.000 -0.000) 16.753 4.603 ( -0.909 -0.000 0.000) 0.909 5.664 ( -9.007 -0.000 0.000) 9.007 5.762 ( 33.741 0.000 -0.000) 33.741 7.815 ( -2.371 -0.000 0.000) 2.371 9.378 ( -11.032 -0.000 0.000) 11.032 9.431 ( 5.629 0.000 -0.000) 5.629 10.145 ( -8.920 -0.000 0.000) 8.920 10.584 ( 24.894 0.000 -0.000) 24.894 11.146 ( 1.715 0.000 -0.000) 1.715 14.567 ( -16.007 -0.000 0.000) 16.007 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( 0.000 0.828 -0.157) 0.843 3.500 ( 0.000 1.029 -1.449) 1.777 4.632 ( -0.000 -1.460 -2.669) 3.042 4.666 ( 0.000 3.466 -0.112) 3.468 5.883 ( 0.000 2.214 1.481) 2.664 7.764 ( 0.000 3.031 -0.565) 3.083 9.033 ( 0.000 1.748 -0.533) 1.827 9.862 ( 0.000 13.382 -2.263) 13.572 10.066 ( -0.000 -8.038 1.061) 8.107 10.245 ( 0.000 1.391 0.532) 1.490 11.085 ( -0.000 -9.107 0.813) 9.144 15.069 ( -0.000 -1.664 -0.468) 1.729 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( 7.848 0.000 -0.000) 7.848 3.520 ( 2.114 0.000 -0.000) 2.114 4.620 ( -0.111 -0.000 0.000) 0.111 4.829 ( 16.582 0.000 -0.000) 16.582 5.870 ( -3.019 -0.000 0.000) 3.019 7.790 ( 1.434 0.000 -0.000) 1.434 9.127 ( 9.160 0.000 -0.000) 9.160 9.830 ( -11.943 -0.000 0.000) 11.943 10.046 ( 5.595 0.000 -0.000) 5.595 10.281 ( 1.320 0.000 -0.000) 1.320 11.058 ( 2.088 0.000 -0.000) 2.088 14.997 ( -7.229 -0.000 0.000) 7.229 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( -0.000 0.000 29.641) 29.641 0.283 ( -0.000 0.000 29.641) 29.641 0.564 ( -0.000 0.000 59.205) 59.205 3.246 ( 0.000 -0.000 -1.915) 1.915 3.246 ( 0.000 -0.000 -1.915) 1.915 7.384 ( 0.000 -0.000 -6.554) 6.554 7.705 ( -0.000 0.000 0.433) 0.433 7.705 ( 0.000 0.000 0.433) 0.433 10.588 ( 0.000 -0.000 -0.330) 0.330 10.588 ( 0.000 -0.000 -0.330) 0.330 14.112 ( -0.000 0.000 1.662) 1.662 15.229 ( 0.000 -0.000 -0.578) 0.578 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 28.659 16.546 11.512) 35.038 0.833 ( 18.759 10.830 30.150) 37.124 1.486 ( 52.690 30.420 20.131) 64.085 3.265 ( 2.396 1.384 -2.720) 3.880 3.401 ( 12.732 7.351 -2.550) 14.922 6.195 ( -8.481 -4.897 9.018) 13.313 7.745 ( 3.201 1.848 0.896) 3.804 10.260 ( -3.764 -2.173 -19.016) 19.507 10.558 ( -2.434 -1.405 -0.456) 2.847 10.767 ( 37.369 21.575 -52.501) 67.957 14.017 ( -10.464 -6.042 6.282) 13.618 15.651 ( 11.953 6.901 -28.071) 31.281 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 21.575 12.456 19.501) 31.637 1.502 ( 29.319 16.927 6.785) 34.528 2.720 ( 48.794 28.171 13.087) 57.843 3.339 ( 4.904 2.831 -3.423) 6.617 3.815 ( 24.722 14.274 -2.828) 28.687 6.093 ( -3.375 -1.948 -1.246) 4.091 7.856 ( 6.225 3.594 1.116) 7.274 9.908 ( -18.171 -10.491 -1.044) 21.008 10.480 ( -4.148 -2.395 -0.500) 4.816 11.244 ( 17.855 10.309 -29.453) 35.952 13.713 ( -17.834 -10.296 11.295) 23.487 15.692 ( 0.005 0.003 -19.360) 19.360 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 23.121 13.349 11.200) 28.952 2.159 ( 26.224 15.141 5.105) 30.708 3.470 ( 7.744 4.471 -3.888) 9.751 3.690 ( 32.079 18.521 10.078) 38.388 4.545 ( 39.995 23.091 -3.124) 46.288 6.010 ( -3.232 -1.866 -4.030) 5.493 8.035 ( 9.083 5.244 1.002) 10.536 9.495 ( -17.072 -9.857 -0.698) 19.726 10.375 ( -4.705 -2.716 -0.402) 5.448 11.449 ( 7.254 4.188 -19.972) 21.657 13.307 ( -21.237 -12.261 16.722) 29.682 15.561 ( -5.850 -3.377 -17.559) 18.813 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 23.562 13.604 5.704) 27.799 2.703 ( 19.715 11.383 3.854) 23.089 3.674 ( 11.451 6.611 -3.720) 13.736 4.305 ( 21.222 12.253 7.122) 25.519 5.470 ( 36.334 20.977 -8.751) 42.858 5.950 ( 2.003 1.157 1.193) 2.603 8.271 ( 11.224 6.480 0.573) 12.973 9.157 ( -11.627 -6.713 -1.315) 13.490 10.273 ( -4.018 -2.320 -0.127) 4.641 11.451 ( -1.769 -1.021 -17.624) 17.742 12.864 ( -22.880 -13.210 20.920) 33.700 15.338 ( -8.381 -4.839 -16.261) 18.923 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 22.754 13.137 2.576) 26.400 3.070 ( 11.912 6.877 2.157) 13.923 3.963 ( 14.217 8.208 -2.568) 16.616 4.736 ( 15.175 8.761 4.161) 18.009 5.682 ( -3.602 -2.080 -11.477) 12.207 6.485 ( 31.752 18.332 4.757) 36.972 8.538 ( 11.829 6.830 -0.063) 13.659 8.993 ( -1.598 -0.922 -1.659) 2.481 10.199 ( -2.422 -1.398 0.313) 2.814 11.275 ( -8.273 -4.776 -16.536) 19.097 12.388 ( -24.907 -14.380 20.289) 35.196 15.107 ( -7.349 -4.243 -12.646) 15.229 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 6.700 3.868 0.714) 7.769 3.539 ( 20.880 12.055 1.027) 24.132 4.272 ( 12.798 7.389 -1.324) 14.837 5.010 ( 7.837 4.525 -2.877) 9.496 5.530 ( -6.170 -3.562 -2.854) 7.675 7.115 ( 21.915 12.652 1.739) 25.365 8.793 ( 10.320 5.958 -0.702) 11.937 9.090 ( 10.314 5.955 -1.410) 11.992 10.166 ( -0.644 -0.372 0.796) 1.089 11.003 ( -10.679 -6.166 -13.719) 18.446 11.854 ( -26.537 -15.321 14.804) 34.031 14.940 ( -4.478 -2.586 -7.271) 8.922 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 3.580 2.067 -0.034) 4.134 3.988 ( 18.300 10.565 -0.120) 21.131 4.514 ( 8.416 4.859 -0.534) 9.733 5.012 ( -5.480 -3.164 -12.155) 13.703 5.463 ( -0.017 -0.010 7.466) 7.466 7.507 ( 12.734 7.352 0.412) 14.710 8.989 ( 6.957 4.016 -1.034) 8.099 9.414 ( 17.226 9.946 -0.918) 19.913 10.168 ( 0.367 0.212 1.051) 1.133 10.715 ( -11.781 -6.802 -8.903) 16.258 11.313 ( -22.569 -13.030 8.036) 27.271 14.853 ( -1.916 -1.106 -2.548) 3.375 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 1.167 0.674 -0.334) 1.389 4.339 ( 10.564 6.099 -4.741) 13.088 4.644 ( 2.969 1.714 -0.034) 3.428 4.808 ( -5.635 -3.253 -5.744) 8.679 5.496 ( -0.336 -0.194 5.790) 5.803 7.708 ( 4.697 2.712 0.294) 5.432 9.097 ( 2.652 1.531 -0.832) 3.173 9.820 ( 17.094 9.869 -0.775) 19.753 10.179 ( 0.088 0.051 0.842) 0.848 10.380 ( -15.210 -8.781 -2.857) 17.794 10.969 ( -7.865 -4.541 1.948) 9.288 14.829 ( -0.071 -0.041 0.629) 0.634 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( -1.141 -0.659 -0.411) 1.380 4.264 ( -11.487 -6.632 -10.766) 17.083 4.648 ( -2.691 -1.554 0.324) 3.124 4.928 ( 13.051 7.535 3.861) 15.556 5.457 ( -4.505 -2.601 2.653) 5.839 7.714 ( -4.393 -2.536 0.966) 5.164 9.103 ( -1.997 -1.153 -0.215) 2.316 9.838 ( -16.417 -9.478 1.148) 18.992 10.173 ( -0.733 -0.423 0.247) 0.882 10.387 ( 18.240 10.531 -2.536) 21.214 10.945 ( 4.612 2.663 -0.168) 5.328 14.854 ( 1.823 1.052 3.110) 3.755 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.393 ( -3.709 -2.141 -0.390) 4.300 3.909 ( -16.272 -9.395 -7.761) 20.329 4.526 ( -8.046 -4.645 0.607) 9.311 5.252 ( 8.371 4.833 11.146) 14.754 5.317 ( -3.286 -1.897 -6.770) 7.761 7.517 ( -13.238 -7.643 1.513) 15.360 9.003 ( -6.712 -3.875 0.389) 7.760 9.444 ( -16.893 -9.753 2.147) 19.624 10.154 ( -0.649 -0.375 -0.360) 0.831 10.839 ( 19.750 11.403 1.744) 22.872 11.150 ( 13.842 7.991 -6.572) 17.281 14.938 ( 4.477 2.585 5.862) 7.816 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -7.172 -4.140 -0.326) 8.287 3.482 ( -19.468 -11.240 -4.646) 22.955 4.294 ( -12.200 -7.044 0.856) 14.114 5.045 ( -13.579 -7.840 0.983) 15.710 5.577 ( 11.898 6.869 1.376) 13.807 7.109 ( -23.441 -13.533 1.348) 27.100 8.805 ( -10.570 -6.103 0.578) 12.219 9.130 ( -10.204 -5.891 2.665) 12.080 10.152 ( 0.782 0.451 -0.624) 1.097 11.257 ( 14.267 8.237 12.869) 20.905 11.515 ( 21.644 12.496 -20.281) 32.187 15.099 ( 7.623 4.401 8.612) 12.315 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -22.664 -13.085 -1.873) 26.237 3.048 ( -12.768 -7.372 -0.133) 14.744 3.998 ( -13.404 -7.739 1.020) 15.511 4.688 ( -17.823 -10.290 -0.739) 20.593 5.810 ( 8.129 4.693 0.757) 9.417 6.443 ( -35.284 -20.371 1.250) 40.762 8.541 ( -12.335 -7.122 0.321) 14.247 9.032 ( 1.139 0.658 2.348) 2.691 10.190 ( 2.753 1.590 -0.536) 3.224 11.547 ( 7.925 4.575 9.174) 12.958 11.994 ( 25.340 14.630 -17.699) 34.196 15.330 ( 9.732 5.619 9.812) 14.918 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -25.315 -14.616 0.400) 29.234 2.671 ( -20.530 -11.853 0.500) 23.711 3.719 ( -10.927 -6.308 0.869) 12.647 4.221 ( -23.254 -13.426 -1.446) 26.890 5.532 ( -42.499 -24.537 -2.247) 49.125 5.964 ( 4.350 2.512 2.743) 5.723 8.264 ( -11.709 -6.760 -0.105) 13.521 9.182 ( 10.843 6.260 1.261) 12.584 10.271 ( 4.331 2.500 -0.319) 5.011 11.677 ( 1.938 1.119 2.591) 3.424 12.539 ( 25.866 14.934 -9.537) 31.353 15.581 ( 9.251 5.341 8.315) 13.537 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -26.911 -15.537 2.757) 31.196 2.127 ( -27.029 -15.605 1.763) 31.260 3.511 ( -7.613 -4.396 0.368) 8.799 3.578 ( -34.466 -19.899 -1.265) 39.818 4.562 ( -39.407 -22.751 -1.297) 45.521 6.049 ( 2.716 1.568 0.190) 3.142 8.021 ( -9.362 -5.405 -0.407) 10.817 9.502 ( 16.397 9.467 -0.073) 18.934 10.378 ( 4.908 2.834 -0.154) 5.669 11.658 ( -3.751 -2.166 -0.695) 4.387 13.094 ( 24.266 14.010 -3.308) 28.214 15.782 ( 6.201 3.580 4.271) 8.338 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -27.109 -15.652 7.681) 32.232 1.474 ( -30.601 -17.667 3.969) 35.557 2.595 ( -50.759 -29.306 0.528) 58.614 3.369 ( -4.956 -2.862 -0.308) 5.731 3.828 ( -24.486 -14.137 -1.407) 28.309 6.096 ( 1.601 0.925 -0.468) 1.908 7.841 ( -6.221 -3.592 -0.402) 7.195 9.903 ( 18.503 10.683 -1.569) 21.423 10.484 ( 4.231 2.443 -0.114) 4.887 11.501 ( -9.309 -5.374 -6.225) 12.421 13.601 ( 19.955 11.521 1.285) 23.078 15.880 ( 2.033 1.174 -2.713) 3.588 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 31.801 16.587) 35.867 0.962 ( 0.000 23.662 29.902) 38.131 1.507 ( 0.000 55.598 24.116) 60.603 3.262 ( 0.000 3.004 -3.016) 4.257 3.382 ( 0.000 14.248 -3.717) 14.725 6.217 ( -0.000 -13.562 9.014) 16.284 7.737 ( 0.000 3.280 0.379) 3.302 10.108 ( 0.000 15.762 -37.170) 40.373 10.558 ( -0.000 -2.800 -0.497) 2.844 10.693 ( 0.000 35.215 -35.698) 50.145 14.033 ( -0.000 -12.070 6.455) 13.687 15.574 ( 0.000 16.193 -25.668) 30.349 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 9.270 21.872 25.114) 34.569 1.409 ( 13.504 30.092 12.476) 35.264 2.429 ( 31.059 48.175 15.915) 59.488 3.309 ( 2.364 5.048 -3.770) 6.730 3.649 ( 12.662 19.973 -4.040) 23.991 6.110 ( -2.493 -5.059 -0.314) 5.649 7.815 ( 3.786 4.941 0.810) 6.277 9.984 ( -6.585 -16.214 -4.725) 18.127 10.498 ( -2.197 -3.694 -0.870) 4.385 11.032 ( 11.996 25.253 -35.688) 45.335 13.835 ( -8.448 -17.264 10.347) 21.828 15.638 ( 1.085 5.667 -21.194) 21.965 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 14.092 19.563 17.799) 29.968 2.007 ( 18.245 26.875 7.926) 33.436 3.407 ( 15.872 17.696 2.503) 23.902 3.437 ( 18.759 21.761 5.548) 29.261 4.204 ( 27.391 28.207 -4.509) 39.575 6.023 ( -2.510 -2.907 -4.366) 5.815 7.965 ( 6.525 6.888 1.123) 9.554 9.633 ( -13.132 -15.538 -0.923) 20.365 10.413 ( -3.116 -3.556 -0.664) 4.775 11.294 ( 9.077 9.824 -24.751) 28.134 13.501 ( -13.571 -19.324 15.183) 28.073 15.572 ( -4.396 -0.093 -18.704) 19.214 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 17.339 18.141 10.095) 27.049 2.571 ( 16.288 21.320 6.095) 27.514 3.605 ( 7.169 12.450 -4.569) 15.076 4.112 ( 20.654 17.325 8.800) 28.358 5.063 ( 35.937 30.193 -6.063) 47.327 5.950 ( -1.175 -0.534 -3.042) 3.305 8.178 ( 8.792 8.756 1.115) 12.458 9.270 ( -12.195 -11.721 -1.069) 16.948 10.324 ( -3.743 -1.776 -0.454) 4.168 11.372 ( 2.687 0.002 -19.899) 20.080 13.105 ( -16.449 -19.666 19.562) 32.249 15.385 ( -8.220 -3.183 -17.355) 19.466 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 19.105 15.977 4.863) 25.376 2.996 ( 10.603 14.983 3.846) 18.753 3.884 ( 9.511 17.271 -3.589) 20.041 4.584 ( 15.791 11.295 6.112) 20.354 5.626 ( 5.847 2.969 -15.587) 16.910 6.201 ( 25.025 20.745 7.197) 33.293 8.436 ( 9.917 10.018 0.855) 14.122 9.015 ( -5.618 -6.323 -1.531) 8.595 10.254 ( -3.663 0.802 -0.165) 3.754 11.268 ( -3.746 -6.093 -17.966) 19.338 12.671 ( -19.516 -19.428 20.355) 34.244 15.149 ( -8.167 -4.542 -14.349) 17.124 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( 7.522 9.277 2.073) 12.121 3.333 ( 17.256 14.966 1.134) 22.870 4.219 ( 8.840 18.904 -2.166) 20.981 4.908 ( 9.875 6.572 1.013) 11.905 5.561 ( -3.412 -3.316 -7.634) 8.995 6.880 ( 24.054 18.466 3.474) 30.523 8.704 ( 9.241 9.957 0.498) 13.593 8.977 ( 5.688 0.504 -1.735) 5.969 10.215 ( -3.098 2.970 0.263) 4.300 11.040 ( -7.373 -8.424 -15.497) 19.118 12.174 ( -23.531 -18.374 16.090) 33.914 14.951 ( -4.810 -4.948 -9.071) 11.397 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 2.165 7.565 0.459) 7.882 3.781 ( 18.210 12.244 -0.897) 21.962 4.513 ( 4.917 16.760 -1.481) 17.529 5.017 ( -0.857 0.716 -9.091) 9.159 5.482 ( -0.846 -1.605 4.600) 4.945 7.364 ( 14.873 11.399 1.496) 18.798 8.940 ( 6.861 9.257 0.040) 11.523 9.194 ( 15.798 5.201 -1.517) 16.701 10.202 ( -2.449 3.120 0.805) 4.047 10.778 ( -8.323 -8.279 -11.500) 16.434 11.629 ( -24.938 -14.268 9.754) 30.342 14.833 ( -0.920 -5.085 -3.707) 6.360 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -0.562 6.311 -0.250) 6.340 4.173 ( 15.175 9.369 -4.414) 18.373 4.678 ( -0.624 8.049 -2.410) 8.426 4.901 ( -7.418 3.290 -7.431) 11.003 5.505 ( 0.801 -0.996 7.755) 7.859 7.643 ( 7.722 5.864 0.671) 9.719 9.107 ( 2.191 8.300 -0.459) 8.596 9.563 ( 20.598 5.448 -1.457) 21.356 10.186 ( -2.531 0.241 1.705) 3.061 10.508 ( -10.552 -8.852 -6.196) 15.102 11.174 ( -17.893 -3.890 3.807) 18.702 14.788 ( 1.893 -4.936 0.039) 5.287 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( -2.904 4.926 -0.542) 5.744 4.316 ( -4.105 -2.062 -13.218) 13.994 4.725 ( 4.385 6.143 2.515) 7.956 4.878 ( -3.160 11.174 -1.118) 11.666 5.498 ( -2.278 -3.231 5.817) 7.033 7.745 ( -0.030 0.571 0.867) 1.038 9.168 ( -2.965 5.584 -0.524) 6.344 9.950 ( 19.166 -2.056 -2.081) 19.388 10.020 ( -14.423 -6.832 1.785) 16.059 10.336 ( 0.983 3.267 -1.464) 3.713 10.998 ( -5.469 5.771 0.229) 7.954 14.798 ( 4.014 -4.116 2.517) 6.277 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( -5.183 3.136 -0.619) 6.090 4.052 ( -13.581 -7.004 -10.424) 18.498 4.742 ( -12.700 10.056 1.343) 16.255 5.094 ( 14.581 7.272 -0.811) 16.314 5.394 ( -6.610 -5.673 4.838) 9.964 7.654 ( -8.865 -4.212 1.543) 9.935 9.111 ( -7.384 1.070 -0.164) 7.463 9.623 ( -15.866 -13.217 2.394) 20.788 10.149 ( 2.949 2.073 -0.805) 3.693 10.594 ( 18.995 9.804 -2.189) 21.488 11.063 ( 4.404 8.234 -1.751) 9.501 14.864 ( 6.375 -2.326 4.738) 8.276 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -7.806 0.610 -0.604) 7.853 3.686 ( -17.401 -7.531 -6.563) 20.065 4.559 ( -18.333 6.599 1.210) 19.522 5.181 ( -10.218 -7.188 -0.973) 12.531 5.421 ( 13.669 5.729 2.722) 15.069 7.367 ( -18.468 -8.505 1.910) 20.422 8.943 ( -10.601 -3.242 0.280) 11.089 9.264 ( -13.069 -9.484 2.911) 16.408 10.181 ( -1.446 4.325 -0.480) 4.586 11.053 ( 22.646 8.973 2.120) 24.451 11.271 ( 11.744 8.025 -9.026) 16.846 15.005 ( 9.174 0.211 6.858) 11.456 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( -13.699 -5.961 -1.286) 14.995 3.283 ( -19.425 -3.983 -2.002) 19.930 4.271 ( -20.813 3.270 1.047) 21.094 4.881 ( -15.300 -8.574 -0.193) 17.540 5.690 ( 11.045 4.178 -0.268) 11.812 6.848 ( -30.597 -13.603 1.999) 33.544 8.703 ( -12.829 -4.673 0.433) 13.661 9.047 ( -4.277 -4.303 2.695) 6.639 10.202 ( -0.914 4.862 -0.572) 4.980 11.454 ( 10.730 3.625 8.706) 14.286 11.619 ( 26.184 10.763 -17.048) 33.047 15.220 ( 11.384 2.441 7.764) 13.994 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -24.202 -9.811 0.026) 26.115 2.950 ( -19.712 -3.026 0.679) 19.955 3.947 ( -19.018 1.122 0.566) 19.059 4.488 ( -20.599 -9.149 -0.202) 22.540 5.857 ( 2.087 1.236 -7.175) 7.574 6.091 ( -36.924 -15.942 7.024) 40.827 8.426 ( -13.760 -4.633 0.255) 14.521 9.067 ( 7.118 1.156 1.718) 7.413 10.248 ( 1.433 4.077 -0.507) 4.351 11.622 ( 5.862 1.082 -2.176) 6.346 12.168 ( 28.658 10.234 -5.305) 30.890 15.471 ( 11.533 3.126 6.236) 13.478 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -28.050 -9.042 3.162) 29.640 2.510 ( -27.411 -5.226 1.994) 27.976 3.670 ( -13.962 0.088 -0.198) 13.964 3.983 ( -28.678 -9.347 0.515) 30.167 5.112 ( -46.615 -15.431 -2.420) 49.162 6.005 ( 3.919 0.715 0.501) 4.015 8.161 ( -12.259 -3.566 0.033) 12.767 9.295 ( 15.184 4.142 0.440) 15.745 10.325 ( 3.712 2.680 -0.364) 4.593 11.666 ( 0.421 -0.661 -5.490) 5.546 12.745 ( 28.427 8.770 0.295) 29.750 15.691 ( 9.112 1.995 2.086) 9.558 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -29.795 -7.168 7.677) 31.592 1.942 ( -33.314 -5.152 3.722) 33.914 3.275 ( -45.745 -8.886 2.879) 46.689 3.470 ( -9.213 -0.424 -1.023) 9.279 4.239 ( -37.781 -8.163 -1.996) 38.705 6.064 ( 2.648 0.444 -1.140) 2.917 7.948 ( -9.417 -1.709 0.045) 9.571 9.640 ( 19.646 4.186 -0.659) 20.097 10.418 ( 4.837 1.150 -0.290) 4.980 11.583 ( -6.366 -1.587 -9.614) 11.639 13.295 ( 26.051 5.842 4.368) 27.053 15.819 ( 4.847 -0.029 -4.526) 6.632 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 23.156 25.794) 34.663 1.636 ( 0.000 32.004 12.179) 34.244 2.747 ( 0.000 54.621 15.098) 56.669 3.326 ( 0.000 5.794 -4.226) 7.172 3.763 ( 0.000 27.659 -5.378) 28.177 6.074 ( -0.000 -5.045 -2.357) 5.568 7.842 ( 0.000 7.136 0.514) 7.155 9.849 ( -0.000 -17.185 -4.060) 17.658 10.476 ( -0.000 -4.931 -0.661) 4.976 11.083 ( 0.000 22.810 -31.759) 39.102 13.741 ( -0.000 -22.404 11.330) 25.106 15.630 ( 0.000 5.750 -19.514) 20.343 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 4.692 22.778 20.711) 31.141 2.079 ( 10.303 29.536 10.188) 32.899 3.405 ( 6.469 17.200 -0.467) 18.382 3.437 ( 12.500 31.340 8.401) 34.771 4.163 ( 12.566 36.536 -6.013) 39.102 6.010 ( -1.233 -3.147 -4.784) 5.858 7.957 ( 3.736 8.997 0.897) 9.783 9.621 ( -5.546 -17.771 -1.073) 18.647 10.407 ( -1.450 -4.765 -0.843) 5.052 11.210 ( 4.100 11.935 -26.135) 29.022 13.491 ( -5.881 -24.823 14.225) 29.208 15.590 ( -2.985 1.903 -17.634) 17.986 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 9.058 20.972 13.900) 26.741 2.584 ( 12.551 24.931 8.229) 29.099 3.606 ( 7.444 14.137 -5.038) 16.753 4.027 ( 14.865 22.629 8.834) 28.479 4.857 ( 24.237 38.471 -6.549) 45.939 5.955 ( -0.845 0.365 -3.829) 3.938 8.148 ( 6.543 10.930 1.469) 12.823 9.323 ( -9.351 -14.523 -0.638) 17.285 10.343 ( -1.151 -2.858 -0.796) 3.182 11.261 ( 2.722 1.173 -21.870) 22.070 13.161 ( -9.439 -25.188 17.618) 32.155 15.446 ( -7.562 -1.538 -16.324) 18.056 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 12.621 18.323 7.835) 23.589 3.013 ( 9.442 18.461 5.756) 21.520 3.914 ( 9.353 21.481 -4.203) 23.802 4.472 ( 13.772 14.179 6.239) 20.728 5.476 ( 13.146 12.945 -14.900) 23.715 6.099 ( 13.129 19.437 5.683) 24.134 8.399 ( 8.230 12.606 1.987) 15.185 9.047 ( -7.673 -9.423 -1.218) 12.213 10.310 ( -1.291 0.842 -0.775) 1.725 11.182 ( -0.976 -6.682 -19.375) 20.518 12.789 ( -12.371 -24.524 19.147) 33.483 15.216 ( -9.804 -3.923 -14.332) 17.802 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 13.876 14.152 3.873) 20.195 3.317 ( 6.426 15.298 2.474) 16.776 4.289 ( 8.236 24.176 -2.809) 25.694 4.816 ( 10.784 9.421 2.515) 14.539 5.538 ( -0.289 -1.401 -10.212) 10.312 6.702 ( 22.027 24.196 4.833) 33.076 8.673 ( 7.858 12.014 2.502) 14.572 8.909 ( 0.290 -2.258 -2.014) 3.040 10.307 ( -2.241 4.896 -0.862) 5.453 10.992 ( -3.956 -10.349 -16.838) 20.156 12.369 ( -16.366 -22.673 16.719) 32.580 14.971 ( -7.887 -5.771 -10.468) 14.321 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 4.626 9.655 1.827) 10.861 3.634 ( 13.206 15.304 -0.806) 20.230 4.611 ( 4.796 18.017 -2.519) 18.814 5.021 ( 2.690 8.917 -5.489) 10.811 5.491 ( -0.638 -0.865 1.436) 1.793 7.241 ( 15.713 15.727 2.756) 22.402 8.890 ( 8.976 4.721 1.821) 10.304 9.034 ( 8.550 9.508 -1.605) 12.887 10.309 ( -4.085 5.998 -1.179) 7.352 10.765 ( -4.879 -9.465 -12.681) 16.559 11.896 ( -19.961 -17.867 11.252) 29.056 14.784 ( -3.128 -7.494 -5.506) 9.812 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( -0.237 9.181 0.312) 9.189 4.006 ( 14.371 12.131 -4.099) 19.248 4.739 ( -0.897 2.243 -5.677) 6.169 5.091 ( -4.690 16.339 -4.940) 17.702 5.519 ( 0.201 2.018 7.890) 8.146 7.572 ( 8.994 8.263 1.578) 12.315 9.124 ( 9.400 6.744 1.722) 11.696 9.292 ( 12.436 7.254 -2.051) 14.542 10.269 ( -4.378 2.058 -1.451) 5.050 10.559 ( -7.632 -6.227 -6.508) 11.806 11.454 ( -18.232 -7.698 5.148) 20.449 14.682 ( 1.684 -8.662 -1.323) 8.923 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -3.277 8.011 -0.522) 8.671 4.279 ( 5.694 6.199 -11.694) 14.408 4.685 ( 1.086 -0.201 -0.985) 1.480 5.155 ( -7.068 16.281 0.115) 17.750 5.542 ( -3.607 2.868 6.062) 7.614 7.734 ( 3.337 2.413 1.198) 4.289 9.283 ( -0.921 8.422 0.594) 8.493 9.583 ( 17.859 -3.143 -2.131) 18.258 10.217 ( -5.229 2.745 1.093) 6.006 10.333 ( -7.205 -4.175 -2.359) 8.655 11.199 ( -10.598 3.953 0.197) 11.312 14.658 ( 5.323 -8.544 1.465) 10.173 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.614 ( -5.782 5.695 -0.990) 8.176 4.182 ( -10.886 -1.343 -11.979) 16.242 4.873 ( 13.219 6.309 0.475) 14.655 5.145 ( -11.053 12.230 1.636) 16.566 5.479 ( -7.984 1.152 4.086) 9.043 7.737 ( -3.709 -2.169 1.420) 4.525 9.260 ( -7.631 2.179 -0.364) 7.944 9.655 ( -1.283 -15.635 0.994) 15.719 10.181 ( -2.281 13.741 -0.600) 13.942 10.390 ( 12.226 2.491 -0.164) 12.478 11.135 ( -3.772 7.069 -2.202) 8.309 14.705 ( 8.269 -6.821 3.414) 11.249 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.532 ( -8.064 2.114 -1.270) 8.433 3.902 ( -15.959 -1.186 -7.415) 17.638 5.008 ( -18.530 12.364 4.755) 22.778 5.159 ( 9.636 2.112 -9.460) 13.667 5.348 ( -4.929 -1.052 7.764) 9.256 7.571 ( -12.240 -5.181 1.775) 13.409 9.087 ( -10.066 -4.729 0.142) 11.123 9.394 ( -11.623 -9.890 2.429) 15.453 10.289 ( -2.471 12.068 0.041) 12.319 10.738 ( 21.917 6.384 -2.218) 22.935 11.187 ( 3.955 4.926 -3.522) 7.233 14.831 ( 11.118 -3.898 4.821) 12.729 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.361 ( -11.673 -2.678 -1.472) 12.066 3.583 ( -18.648 0.788 -3.077) 18.916 4.753 ( -25.238 10.320 2.825) 27.413 5.026 ( -11.212 -6.602 -3.245) 13.410 5.520 ( 12.717 3.108 1.018) 13.131 7.213 ( -23.330 -7.972 1.946) 24.731 8.862 ( -10.076 -5.101 0.763) 11.320 9.125 ( -10.464 -6.056 2.148) 12.280 10.323 ( -5.404 9.460 -0.165) 10.896 11.211 ( 26.369 7.149 -5.627) 27.894 11.330 ( 9.114 2.170 -1.255) 9.453 15.035 ( 13.433 -1.062 5.047) 14.389 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -19.324 -5.172 -0.474) 20.010 3.272 ( -18.869 1.156 0.045) 18.904 4.387 ( -27.026 6.267 0.964) 27.759 4.723 ( -15.760 -6.575 -0.489) 17.084 5.741 ( 9.850 2.169 -2.850) 10.481 6.623 ( -35.830 -9.928 2.688) 37.277 8.631 ( -13.429 -2.771 0.760) 13.733 8.990 ( 0.564 -2.845 1.386) 3.214 10.314 ( -3.822 5.776 -0.478) 6.942 11.483 ( 9.670 1.112 -11.077) 14.746 11.754 ( 28.115 6.160 5.280) 29.262 15.284 ( 14.060 0.224 3.207) 14.423 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -25.501 -3.777 2.077) 25.863 2.926 ( -23.122 -0.619 1.675) 23.191 3.995 ( -22.734 2.031 -0.569) 22.831 4.354 ( -21.772 -3.838 1.225) 22.142 5.752 ( -30.687 -2.338 -10.449) 32.501 5.968 ( -8.654 -4.041 8.257) 12.625 8.366 ( -14.479 -1.673 0.632) 14.589 9.087 ( 11.008 0.113 0.292) 11.012 10.317 ( -0.171 2.440 -0.441) 2.485 11.589 ( 5.634 0.360 -10.375) 11.812 12.323 ( 29.438 4.775 6.953) 30.623 15.517 ( 12.357 -0.479 -0.869) 12.397 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -28.881 -0.975 5.249) 29.370 2.473 ( -29.676 -0.627 3.101) 29.844 3.671 ( -15.420 -0.288 -1.808) 15.528 3.902 ( -30.628 0.490 3.665) 30.851 4.943 ( -47.902 0.766 -2.349) 47.966 6.005 ( 3.875 -0.339 -1.352) 4.118 8.128 ( -12.370 0.083 0.586) 12.384 9.335 ( 17.249 -0.251 -0.450) 17.257 10.354 ( 3.076 0.171 -0.317) 3.097 11.606 ( -0.430 0.569 -11.681) 11.703 12.882 ( 28.595 1.748 9.602) 30.215 15.675 ( 8.750 -2.211 -6.669) 11.222 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.000 22.299 19.240) 29.453 2.303 ( 0.000 27.989 9.724) 29.630 3.440 ( 0.000 9.074 -5.376) 10.547 3.734 ( 0.000 35.145 10.940) 36.809 4.445 ( 0.000 44.964 -6.500) 45.431 5.979 ( -0.000 -1.419 -5.112) 5.305 8.026 ( 0.000 11.021 0.745) 11.046 9.493 ( -0.000 -16.545 -0.042) 16.545 10.363 ( -0.000 -5.779 -0.747) 5.827 11.195 ( 0.000 7.099 -25.093) 26.078 13.323 ( -0.000 -27.673 14.888) 31.424 15.582 ( 0.000 1.052 -15.843) 15.878 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 2.903 20.890 14.700) 25.708 2.668 ( 8.264 23.262 8.481) 26.102 3.589 ( 7.336 13.122 -5.399) 15.973 4.117 ( 5.654 24.944 7.388) 26.623 4.954 ( 9.444 41.797 -7.846) 43.563 5.972 ( 0.055 4.842 -2.729) 5.558 8.179 ( 3.864 12.693 1.153) 13.318 9.302 ( -4.735 -13.589 0.431) 14.397 10.307 ( 0.360 -4.613 -0.791) 4.694 11.165 ( 0.972 -0.598 -22.830) 22.859 13.060 ( -3.881 -28.359 16.425) 33.001 15.494 ( -4.833 -1.212 -14.284) 15.128 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 6.213 18.409 9.423) 21.594 3.048 ( 9.375 16.808 6.359) 20.269 3.920 ( 13.099 20.629 -4.295) 24.811 4.454 ( 7.643 16.458 4.503) 18.696 5.394 ( 7.945 16.499 -13.284) 22.623 6.156 ( 7.306 24.283 4.486) 25.752 8.410 ( 6.776 14.200 2.135) 15.878 9.082 ( -7.266 -8.872 -0.314) 11.472 10.296 ( 2.193 -1.260 -0.903) 2.686 11.061 ( -0.519 -7.461 -20.343) 21.674 12.745 ( -6.601 -27.926 17.274) 33.494 15.304 ( -9.344 -3.449 -12.740) 16.172 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 9.227 14.988 5.244) 18.366 3.355 ( 7.739 13.566 3.454) 15.995 4.360 ( 11.215 24.216 -3.102) 26.867 4.739 ( 10.122 10.267 1.218) 14.469 5.497 ( 1.286 2.272 -9.490) 9.842 6.662 ( 14.835 29.190 4.897) 33.107 8.683 ( 6.750 13.146 3.556) 15.199 8.915 ( -3.901 -1.640 -1.615) 4.530 10.349 ( 2.642 3.836 -1.459) 4.881 10.879 ( -2.314 -11.542 -17.588) 21.164 12.393 ( -9.320 -26.480 16.005) 32.314 15.045 ( -10.895 -5.488 -10.417) 16.042 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 9.078 10.268 2.708) 13.971 3.626 ( 7.657 14.813 0.225) 16.677 4.662 ( 4.091 10.448 -3.007) 11.617 5.046 ( 9.540 17.609 -4.683) 20.568 5.504 ( 0.123 2.433 0.758) 2.551 7.172 ( 13.434 19.976 3.301) 24.299 8.804 ( 2.670 0.940 0.802) 2.942 9.037 ( 6.763 14.554 1.284) 16.100 10.418 ( -1.643 6.084 -4.101) 7.519 10.680 ( -0.951 -9.785 -12.235) 15.695 12.009 ( -12.211 -22.558 12.354) 28.471 14.783 ( -8.280 -7.719 -7.018) 13.318 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( 4.486 7.679 0.969) 8.946 3.921 ( 9.872 14.953 -3.276) 18.214 4.724 ( 0.635 -1.058 -5.040) 5.189 5.273 ( -0.453 12.302 -4.061) 12.963 5.615 ( 1.671 14.789 6.513) 16.246 7.514 ( 8.562 9.758 2.271) 13.179 8.938 ( 11.239 2.072 0.077) 11.429 9.291 ( 5.095 13.267 1.952) 14.345 10.318 ( -5.075 -5.931 -8.972) 11.893 10.629 ( -2.577 4.918 -2.950) 6.288 11.638 ( -12.670 -13.732 7.118) 19.994 14.583 ( -2.679 -9.948 -3.290) 10.815 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.735 ( -0.175 6.723 -0.629) 6.754 4.209 ( 8.675 12.580 -7.978) 17.238 4.674 ( -1.302 -2.339 -3.331) 4.273 5.303 ( -1.680 0.439 4.109) 4.461 5.802 ( -6.467 24.621 2.059) 25.539 7.688 ( 4.910 1.791 1.810) 5.531 9.198 ( 15.574 1.659 0.006) 15.662 9.450 ( 0.087 6.834 0.752) 6.876 10.171 ( 0.496 -7.932 -5.465) 9.645 10.572 ( -11.597 8.555 0.749) 14.430 11.391 ( -8.919 -1.178 1.221) 9.079 14.480 ( 3.456 -10.999 -0.234) 11.532 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.750 ( -4.079 4.378 -1.720) 6.226 4.320 ( -5.639 7.661 -11.584) 14.989 4.718 ( 8.982 2.781 -0.233) 9.406 5.270 ( -1.111 -5.815 7.926) 9.893 5.857 ( -16.225 24.799 -0.506) 29.640 7.739 ( 1.251 -3.131 1.695) 3.773 9.400 ( -7.749 -1.912 -0.492) 7.996 9.439 ( 11.042 -3.852 -0.240) 11.697 10.189 ( 9.690 -3.426 -1.100) 10.337 10.478 ( -11.210 15.579 2.184) 19.317 11.280 ( -6.797 3.915 -2.653) 8.280 14.483 ( 8.525 -9.817 1.800) 13.126 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -7.100 1.163 -1.956) 7.456 4.168 ( -14.778 6.178 -7.074) 17.510 4.952 ( 13.124 3.297 -6.524) 15.022 5.211 ( -1.310 -6.648 11.589) 13.424 5.731 ( -23.637 19.426 -1.460) 30.630 7.678 ( -4.739 -4.703 1.632) 6.873 9.182 ( -9.202 -9.289 0.005) 13.075 9.461 ( -3.804 -4.200 0.915) 5.740 10.422 ( 17.723 2.746 -2.960) 18.177 10.528 ( -5.205 18.240 3.846) 19.354 11.202 ( -3.441 0.978 -4.068) 5.417 14.587 ( 12.290 -6.743 2.782) 14.292 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( -9.954 -1.033 -1.222) 10.082 3.918 ( -18.495 4.754 -3.474) 19.409 5.031 ( -2.100 -4.465 -3.823) 6.242 5.272 ( 2.063 4.600 5.320) 7.329 5.453 ( -19.621 8.654 -0.703) 21.456 7.481 ( -14.054 -4.609 1.547) 14.871 8.945 ( -7.851 -7.788 0.805) 11.088 9.284 ( -11.575 -3.247 1.191) 12.081 10.570 ( -9.155 13.941 0.426) 16.684 10.819 ( 23.301 3.862 -4.583) 24.059 11.203 ( 5.986 -1.188 -0.328) 6.112 14.779 ( 14.826 -3.489 2.414) 15.421 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -14.218 -1.269 0.197) 14.276 3.617 ( -19.664 2.237 -0.949) 19.813 4.882 ( -9.182 -3.679 -1.296) 9.976 4.960 ( -31.177 5.816 0.515) 31.720 5.560 ( 12.104 0.963 -0.882) 12.174 7.099 ( -26.402 -4.054 1.695) 26.765 8.780 ( -6.281 -2.935 0.988) 7.002 9.052 ( -11.017 -2.360 0.591) 11.282 10.489 ( -9.985 5.467 -0.309) 11.388 11.203 ( 19.259 1.721 -19.200) 27.249 11.424 ( 18.388 2.056 15.805) 24.334 15.024 ( 15.732 -1.806 0.306) 15.838 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -20.502 0.441 1.777) 20.584 3.291 ( -19.883 0.025 0.869) 19.902 4.449 ( -28.615 -1.370 -2.153) 28.729 4.663 ( -16.148 1.128 2.287) 16.348 5.745 ( 8.989 0.783 -5.000) 10.316 6.526 ( -37.507 -0.963 3.012) 37.640 8.608 ( -13.415 -0.236 1.245) 13.475 8.955 ( 2.566 -0.810 -0.739) 2.790 10.378 ( -5.375 0.192 -0.445) 5.397 11.408 ( 11.572 0.885 -16.409) 20.099 11.904 ( 26.848 1.960 15.665) 31.146 15.263 ( 14.608 -2.218 -3.527) 15.191 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -25.747 3.297 3.312) 26.167 2.933 ( -23.029 -0.039 2.406) 23.155 3.977 ( -22.459 -2.568 -2.313) 22.724 4.375 ( -21.534 4.218 3.444) 22.212 5.735 ( -27.749 7.053 -11.743) 30.946 5.968 ( -11.561 -0.448 7.756) 13.929 8.369 ( -14.425 1.423 0.948) 14.526 9.073 ( 11.387 -1.228 -1.220) 11.518 10.319 ( -0.193 -2.005 -0.201) 2.024 11.524 ( 6.402 1.054 -14.593) 15.971 12.436 ( 28.255 -0.966 16.093) 32.531 15.441 ( 11.787 -3.834 -8.551) 15.059 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 0.000 19.065 12.770) 22.947 2.831 ( 0.000 19.303 7.128) 20.577 3.632 ( 0.000 14.338 -5.396) 15.320 4.332 ( 0.000 22.337 4.781) 22.843 5.225 ( 0.000 30.461 -10.671) 32.276 6.067 ( 0.000 17.669 1.199) 17.710 8.278 ( 0.000 13.740 0.728) 13.760 9.228 ( -0.000 -10.018 1.332) 10.106 10.250 ( -0.000 -4.959 -0.570) 4.992 11.059 ( -0.000 -5.017 -22.294) 22.852 12.856 ( -0.000 -29.371 15.984) 33.439 15.480 ( -0.000 -2.125 -12.261) 12.444 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 1.915 16.565 8.900) 18.902 3.074 ( 6.465 13.406 5.293) 15.796 3.875 ( 11.437 18.600 -4.053) 22.208 4.552 ( 1.779 16.023 1.244) 16.169 5.418 ( 2.045 11.922 -11.304) 16.556 6.359 ( 3.498 32.466 4.517) 32.964 8.459 ( 4.544 14.448 1.109) 15.186 9.116 ( -4.547 -5.085 0.837) 6.873 10.226 ( 2.491 -2.946 -0.420) 3.881 10.920 ( -0.159 -9.453 -20.131) 22.240 12.591 ( -2.780 -29.224 15.389) 33.145 15.367 ( -5.798 -3.536 -10.583) 12.575 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 4.714 13.637 5.170) 15.326 3.335 ( 9.005 9.900 3.331) 13.792 4.332 ( 17.759 22.209 -2.807) 28.575 4.706 ( 3.311 7.594 -2.628) 8.691 5.493 ( 0.797 5.724 -6.041) 8.360 6.796 ( 7.152 31.852 4.077) 32.898 8.713 ( 6.923 14.037 2.690) 15.881 8.995 ( -6.077 1.147 -0.891) 6.249 10.287 ( 6.100 0.993 -0.645) 6.214 10.740 ( -1.497 -12.017 -17.209) 21.043 12.287 ( -4.901 -28.266 13.976) 31.910 15.151 ( -10.540 -4.974 -8.976) 14.711 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 6.819 10.030 2.771) 12.441 3.604 ( 10.113 10.324 1.096) 14.493 4.683 ( 1.691 6.431 -4.372) 7.959 4.966 ( 18.663 17.660 -4.312) 26.054 5.542 ( 0.178 5.124 1.412) 5.318 7.213 ( 7.758 22.927 2.915) 24.379 8.844 ( -3.559 4.341 1.152) 5.731 9.073 ( 6.607 14.579 1.063) 16.041 10.434 ( 5.114 4.974 -4.036) 8.197 10.540 ( -0.028 -11.212 -11.675) 16.187 11.962 ( -6.431 -25.680 11.676) 28.934 14.870 ( -12.223 -6.533 -7.042) 15.546 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( 6.741 6.523 1.052) 9.439 3.891 ( 10.329 12.265 -1.631) 16.118 4.686 ( -0.022 -1.691 -4.477) 4.786 5.345 ( 3.325 11.099 -4.241) 12.338 5.705 ( 9.779 15.848 5.994) 19.563 7.506 ( 5.084 11.812 2.101) 13.031 8.863 ( 1.432 5.654 -0.143) 5.835 9.335 ( 5.993 12.714 3.027) 14.378 10.286 ( -5.093 -10.199 -11.491) 16.187 10.672 ( 6.543 9.581 -2.020) 11.777 11.655 ( -6.231 -19.600 8.659) 22.315 14.584 ( -9.756 -8.437 -4.659) 13.714 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.747 ( 4.371 4.221 -0.722) 6.120 4.176 ( 9.132 13.330 -4.729) 16.835 4.650 ( 0.029 -2.569 -2.556) 3.624 5.350 ( -4.349 -1.084 2.769) 5.269 6.101 ( 5.675 27.103 1.564) 27.735 7.633 ( 2.376 0.651 1.782) 3.041 9.011 ( 8.801 5.612 -0.228) 10.441 9.520 ( 1.931 7.535 3.045) 8.353 10.074 ( -3.154 -10.527 -7.925) 13.548 10.812 ( -3.222 11.888 -0.806) 12.343 11.457 ( -2.634 -8.092 3.946) 9.380 14.363 ( -3.516 -10.144 -2.100) 10.940 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.813 ( -0.067 2.320 -2.049) 3.096 4.416 ( 4.398 13.822 -8.346) 16.735 4.638 ( 1.816 -0.402 -0.242) 1.876 5.246 ( -3.456 -8.193 6.862) 11.232 6.366 ( -9.001 29.592 -0.535) 30.935 7.644 ( 3.444 -7.832 1.886) 8.761 9.224 ( 9.790 1.278 -0.528) 9.887 9.532 ( -6.279 1.807 0.745) 6.576 9.983 ( 6.648 -7.820 -2.603) 10.589 10.816 ( -9.017 13.518 2.075) 16.381 11.393 ( -3.418 0.787 -1.509) 3.819 14.266 ( 4.435 -9.981 0.040) 10.922 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( -4.615 0.753 -1.843) 5.026 4.463 ( -10.943 11.555 -6.461) 17.176 4.757 ( 10.624 2.468 -4.759) 11.900 5.147 ( 0.966 -11.158 10.206) 15.152 6.348 ( -22.976 22.773 -1.188) 32.371 7.631 ( 3.713 -8.289 1.704) 9.242 9.226 ( -5.930 -7.559 -0.439) 9.617 9.481 ( -1.107 1.867 0.309) 2.193 10.125 ( 15.714 -2.203 -1.167) 15.910 10.837 ( -6.490 16.547 3.970) 18.212 11.289 ( -8.044 -1.040 -4.253) 9.158 14.318 ( 11.023 -7.144 1.003) 13.174 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -7.918 0.290 -0.416) 7.934 4.278 ( -18.114 6.170 -3.386) 19.433 4.929 ( 7.751 0.903 -9.704) 12.452 5.155 ( 6.924 -5.902 11.559) 14.710 6.047 ( -29.996 10.445 -0.719) 31.771 7.593 ( -2.906 -3.774 1.159) 4.903 9.018 ( -8.783 -5.192 0.206) 10.205 9.427 ( -6.651 -0.824 0.876) 6.759 10.435 ( 20.999 1.081 -4.130) 21.429 10.915 ( -9.377 15.996 4.662) 19.119 11.111 ( -1.576 -7.302 -2.901) 8.013 14.492 ( 14.681 -3.549 0.395) 15.109 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.519 ( -10.712 0.906 1.256) 10.823 3.975 ( -20.140 1.398 -1.235) 20.226 4.947 ( -2.204 -0.050 -5.975) 6.369 5.324 ( 10.881 -1.372 5.079) 12.086 5.568 ( -30.198 0.736 -0.452) 30.211 7.432 ( -14.339 -0.637 0.947) 14.385 8.859 ( -6.444 -0.426 0.198) 6.461 9.256 ( -12.291 -0.511 0.707) 12.322 10.731 ( -14.159 -0.874 -0.932) 14.216 10.803 ( 21.916 0.412 -11.153) 24.594 11.230 ( 11.630 2.533 10.392) 15.800 14.730 ( 15.815 -1.496 -1.678) 15.974 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -14.307 2.573 2.534) 14.755 3.628 ( -20.155 -0.838 0.108) 20.173 4.801 ( -14.820 -2.217 -6.032) 16.153 5.032 ( -25.475 -0.111 4.437) 25.859 5.549 ( 12.079 -1.106 -2.059) 12.303 7.095 ( -26.231 2.713 1.294) 26.403 8.777 ( -5.769 2.239 0.583) 6.215 9.037 ( -11.652 0.876 -0.816) 11.714 10.483 ( -9.289 -5.441 -0.963) 10.808 11.111 ( 17.429 0.869 -16.476) 24.000 11.565 ( 20.193 0.376 18.061) 27.094 14.972 ( 14.966 -1.648 -4.926) 15.841 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -19.979 5.759 3.021) 21.011 3.283 ( -19.076 -1.099 1.138) 19.141 4.346 ( -25.427 -5.683 -2.955) 26.222 4.757 ( -16.491 5.524 2.897) 17.631 5.708 ( 8.842 -0.948 -6.266) 10.878 6.624 ( -35.106 8.319 2.719) 36.181 8.636 ( -13.443 2.164 1.195) 13.668 8.953 ( 0.934 1.723 -2.363) 3.070 10.317 ( -3.578 -5.276 -0.146) 6.376 11.316 ( 12.451 0.075 -16.612) 20.760 12.012 ( 25.636 -3.216 20.048) 32.703 15.164 ( 12.642 -3.264 -8.939) 15.823 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 0.000 13.837 6.975) 15.496 3.143 ( 0.000 9.650 3.286) 10.194 3.936 ( 0.000 18.386 -3.185) 18.660 4.675 ( 0.000 10.882 -3.241) 11.354 5.473 ( 0.000 8.643 -7.044) 11.150 6.682 ( 0.000 34.609 4.014) 34.841 8.558 ( 0.000 13.728 0.158) 13.729 9.137 ( 0.000 0.455 1.156) 1.243 10.173 ( -0.000 -2.436 0.031) 2.436 10.756 ( -0.000 -11.508 -17.967) 21.337 12.371 ( -0.000 -29.250 13.414) 32.179 15.351 ( -0.000 -4.035 -8.645) 9.541 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 1.699 10.862 3.272) 11.471 3.291 ( 6.140 6.989 2.884) 9.740 4.234 ( 14.015 18.614 -2.090) 23.394 4.730 ( -0.094 3.967 -6.889) 7.951 5.545 ( -0.000 8.376 -1.827) 8.573 7.037 ( 2.466 29.714 2.899) 29.957 8.740 ( 5.711 12.883 0.549) 14.103 9.128 ( -4.938 6.187 -0.154) 7.918 10.194 ( 4.271 -0.196 0.442) 4.299 10.585 ( -0.331 -12.082 -14.663) 19.002 12.105 ( -2.104 -28.410 11.253) 30.630 15.228 ( -6.433 -4.639 -7.124) 10.661 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 4.115 8.308 1.593) 9.407 3.505 ( 10.580 6.114 1.630) 12.327 4.688 ( 5.522 7.590 -4.820) 10.551 4.765 ( 16.855 10.354 -4.456) 20.277 5.614 ( -1.046 6.876 2.017) 7.242 7.353 ( 3.516 21.632 1.837) 21.992 8.963 ( 2.113 10.062 2.261) 10.527 9.131 ( -0.822 12.307 -2.082) 12.509 10.323 ( 9.484 2.223 0.513) 9.755 10.414 ( -1.767 -10.515 -11.743) 15.861 11.819 ( -3.327 -26.157 9.136) 27.905 15.002 ( -11.625 -5.200 -5.834) 14.008 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.551 ( 5.550 5.458 0.768) 7.822 3.779 ( 13.252 7.097 0.003) 15.033 4.664 ( -0.886 -1.727 -4.961) 5.327 5.304 ( 18.757 16.745 -4.081) 25.473 5.677 ( 3.751 5.007 5.623) 8.412 7.581 ( 2.071 13.084 1.273) 13.308 8.989 ( -6.107 9.969 -0.079) 11.691 9.347 ( 7.281 11.059 1.157) 13.291 10.238 ( -4.087 -8.288 -9.054) 12.937 10.563 ( 13.698 5.461 -1.020) 14.781 11.551 ( -3.084 -21.419 7.508) 22.905 14.708 ( -13.909 -5.832 -4.494) 15.738 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( 5.577 3.210 -0.224) 6.439 4.084 ( 13.467 8.357 -1.711) 15.941 4.621 ( -0.445 -2.017 -2.130) 2.967 5.457 ( -5.937 2.969 -0.055) 6.638 6.076 ( 22.786 16.204 2.346) 28.058 7.668 ( -2.826 4.103 1.016) 5.085 9.021 ( -0.876 9.821 -0.344) 9.866 9.534 ( 4.656 4.662 2.478) 7.040 10.047 ( -6.748 -6.795 -6.816) 11.754 10.857 ( 11.004 9.377 -2.760) 14.719 11.367 ( 0.485 -13.765 6.362) 15.172 14.407 ( -12.004 -6.557 -2.908) 13.984 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 3.528 1.684 -1.107) 4.063 4.379 ( 11.287 9.606 -3.749) 15.288 4.607 ( 1.382 -1.151 0.397) 1.841 5.314 ( -9.652 -3.738 2.402) 10.626 6.607 ( 14.805 21.971 0.238) 26.495 7.570 ( -6.549 -7.097 1.024) 9.711 9.142 ( 4.365 6.899 -0.140) 8.165 9.625 ( 1.251 1.975 2.560) 3.467 9.845 ( -4.519 -8.088 -4.574) 10.333 11.027 ( -1.566 9.039 -0.641) 9.196 11.364 ( 5.997 -3.487 2.018) 7.225 14.181 ( -5.200 -6.521 -1.165) 8.422 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( -0.645 0.999 -0.877) 1.478 4.614 ( 7.790 5.307 -5.456) 10.891 4.658 ( 1.644 6.903 -0.306) 7.102 5.096 ( -7.838 -10.228 5.367) 13.959 6.906 ( -12.838 24.199 -1.110) 27.416 7.405 ( 6.899 -16.611 1.577) 18.056 9.236 ( 0.241 0.239 -0.236) 0.413 9.573 ( -7.558 1.908 0.566) 7.816 9.845 ( 12.542 -4.135 -1.250) 13.265 11.046 ( -3.694 6.043 1.811) 7.311 11.394 ( -3.268 0.737 -1.547) 3.690 14.118 ( 4.508 -4.204 -0.065) 6.165 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.790 ( -4.899 1.087 0.549) 5.048 4.605 ( -12.953 2.039 -1.598) 13.209 4.792 ( 5.752 8.027 -9.985) 14.044 4.994 ( 7.143 -9.948 10.365) 16.044 6.614 ( -28.705 0.805 -0.224) 28.717 7.514 ( 8.922 -1.034 0.566) 8.999 9.148 ( -8.417 0.152 -0.023) 8.418 9.504 ( -3.069 -0.020 1.057) 3.246 10.093 ( 17.952 0.266 -2.551) 18.135 11.032 ( -0.990 -4.247 0.354) 4.375 11.263 ( -12.151 4.586 0.838) 13.015 14.238 ( 11.554 -0.550 -0.524) 11.579 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( -7.908 1.367 2.015) 8.275 4.309 ( -18.860 -1.756 -0.239) 18.943 4.923 ( 4.705 5.014 -11.352) 13.271 5.121 ( 10.356 -3.823 9.107) 14.311 6.060 ( -29.892 -9.275 0.626) 31.304 7.583 ( -2.675 2.518 0.240) 3.681 9.016 ( -9.121 5.022 -0.033) 10.412 9.428 ( -7.032 0.142 0.943) 7.096 10.414 ( 20.142 0.135 -6.166) 21.065 10.847 ( -7.455 -14.759 -1.790) 16.631 11.215 ( -1.822 7.279 7.046) 10.293 14.465 ( 13.955 1.700 -2.257) 14.238 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( -9.956 1.342 2.700) 10.403 3.962 ( -19.687 -1.149 0.906) 19.742 4.942 ( -4.454 3.020 -9.208) 10.665 5.309 ( 12.365 -2.810 4.389) 13.419 5.461 ( -27.177 -10.321 1.296) 29.100 7.470 ( -13.868 3.546 0.403) 14.320 8.937 ( -7.994 7.806 -0.088) 11.174 9.268 ( -12.327 1.604 -0.393) 12.438 10.531 ( -5.491 -12.403 -4.133) 14.179 10.766 ( 17.229 -0.660 -6.569) 18.451 11.349 ( 9.952 -0.328 11.619) 15.302 14.710 ( 13.420 1.642 -4.615) 14.286 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( -11.423 1.240 2.437) 11.746 3.629 ( -20.511 2.585 1.460) 20.724 4.680 ( -21.264 -6.784 -4.315) 22.733 5.065 ( -13.952 2.411 0.472) 14.167 5.496 ( 11.627 -2.854 -1.401) 12.054 7.203 ( -22.864 6.825 0.909) 23.878 8.863 ( -9.727 5.047 0.873) 10.993 9.077 ( -11.069 4.725 -2.666) 12.327 10.323 ( -4.555 -8.533 -0.316) 9.678 11.017 ( 15.607 -1.221 -13.389) 20.600 11.625 ( 20.621 -6.275 16.777) 27.315 14.912 ( 11.319 -0.147 -7.271) 13.454 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 0.000 4.858 0.779) 4.920 3.339 ( 0.000 8.004 2.574) 8.408 4.271 ( 0.000 16.050 -1.355) 16.107 4.726 ( 0.000 0.105 -8.612) 8.613 5.635 ( 0.000 9.327 1.109) 9.393 7.290 ( 0.000 23.624 1.428) 23.667 8.799 ( 0.000 10.498 -0.686) 10.520 9.264 ( 0.000 11.626 -0.267) 11.629 10.161 ( 0.000 0.875 0.785) 1.175 10.430 ( -0.000 -11.222 -10.437) 15.325 11.877 ( -0.000 -27.521 8.431) 28.783 15.220 ( -0.000 -4.437 -5.557) 7.111 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( 5.933 4.436 -0.697) 7.441 3.430 ( 2.778 4.984 2.486) 6.224 4.549 ( 15.329 13.872 -1.060) 20.701 4.688 ( -0.270 -1.641 -7.357) 7.542 5.717 ( -1.356 7.589 2.235) 8.026 7.505 ( 1.542 16.597 0.260) 16.671 8.957 ( 7.236 8.827 -0.142) 11.415 9.339 ( -5.951 14.717 -1.776) 15.974 10.215 ( 4.401 0.641 1.678) 4.754 10.306 ( 0.265 -7.759 -7.134) 10.544 11.627 ( -1.155 -25.075 5.998) 25.808 15.103 ( -6.907 -4.164 -4.411) 9.193 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( 4.173 3.960 -0.217) 5.757 3.607 ( 12.121 3.409 1.562) 12.688 4.645 ( -0.518 -1.638 -4.616) 4.925 5.033 ( 25.442 12.271 -1.562) 28.290 5.743 ( -3.138 3.951 2.691) 5.718 7.670 ( 1.902 10.613 -0.045) 10.782 9.165 ( 3.316 8.697 1.390) 9.411 9.372 ( -2.789 12.605 -3.217) 13.305 10.202 ( -0.892 -4.754 -3.357) 5.888 10.367 ( 10.050 0.424 -0.073) 10.060 11.400 ( -0.891 -19.703 4.442) 20.217 14.882 ( -12.546 -3.717 -3.484) 13.541 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( 5.055 2.241 0.346) 5.540 3.886 ( 15.519 3.692 0.650) 15.965 4.611 ( -0.715 -1.003 -1.884) 2.251 5.543 ( 9.747 9.925 -4.035) 14.484 5.775 ( 14.436 1.186 4.640) 15.209 7.763 ( -1.146 5.460 0.085) 5.580 9.207 ( -7.218 11.329 -0.135) 13.434 9.478 ( 4.782 1.186 -0.239) 4.933 10.117 ( -6.203 0.180 -3.149) 6.959 10.613 ( 19.365 -0.440 -0.978) 19.395 11.254 ( 0.421 -11.299 4.091) 12.024 14.595 ( -15.399 -3.078 -2.463) 15.896 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( 4.973 1.068 0.192) 5.090 4.198 ( 16.148 3.639 0.361) 16.557 4.590 ( -0.417 -0.430 0.218) 0.637 5.482 ( -10.643 0.160 -1.227) 10.715 6.314 ( 31.476 6.041 0.990) 32.065 7.709 ( -9.267 0.412 -0.115) 9.277 9.205 ( -3.317 7.292 -0.022) 8.011 9.540 ( 5.086 -3.316 0.412) 6.085 9.960 ( -11.011 0.139 -1.522) 11.116 10.971 ( 18.226 4.189 -3.845) 19.092 11.211 ( 2.788 -6.081 5.044) 8.378 14.307 ( -13.841 -1.916 -1.167) 14.022 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.813 ( 3.318 0.552 0.141) 3.367 4.496 ( 13.626 3.269 0.051) 14.013 4.598 ( 2.522 -0.977 2.027) 3.380 5.254 ( -13.848 -1.867 -1.826) 14.093 6.869 ( 27.702 0.111 0.467) 27.706 7.454 ( -18.950 -0.709 -0.560) 18.972 9.226 ( 1.042 0.068 0.149) 1.055 9.628 ( 7.925 -2.402 -1.484) 8.413 9.769 ( -11.184 3.491 1.707) 11.840 11.120 ( -1.827 0.542 -1.149) 2.226 11.330 ( 11.093 -1.345 1.008) 11.220 14.116 ( -6.457 0.672 0.029) 6.492 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.848 ( -0.216 0.516 0.833) 1.003 4.620 ( 2.913 0.663 -1.501) 3.344 4.761 ( 12.582 -5.931 7.191) 15.659 4.990 ( -14.361 3.956 -5.788) 15.980 6.923 ( -13.089 -24.181 0.611) 27.503 7.380 ( 7.444 15.756 -0.902) 17.449 9.239 ( 0.333 0.119 0.095) 0.367 9.569 ( -5.671 -2.669 0.031) 6.268 9.860 ( 9.794 6.152 0.356) 11.571 11.020 ( -5.033 -8.028 -0.847) 9.513 11.416 ( -1.012 0.726 0.734) 1.446 14.119 ( 3.662 4.363 0.032) 5.696 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( -4.272 -0.099 1.769) 4.624 4.554 ( -12.077 -4.547 2.974) 13.243 4.796 ( 7.604 -4.961 -3.947) 9.900 5.016 ( 4.514 8.341 -0.000) 9.485 6.365 ( -22.780 -22.458 0.596) 31.995 7.609 ( 4.167 7.513 -0.486) 8.605 9.232 ( -6.160 8.033 0.176) 10.125 9.487 ( -1.216 -2.517 0.926) 2.945 10.113 ( 14.000 3.553 -2.428) 14.646 10.788 ( -6.867 -16.223 -1.176) 17.655 11.359 ( -5.598 0.624 3.032) 6.397 14.295 ( 9.563 6.587 -1.274) 11.682 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -7.059 -2.061 1.865) 7.587 4.274 ( -16.796 -0.603 3.517) 17.171 4.900 ( 8.288 -1.132 -11.049) 13.858 5.157 ( 4.481 2.281 5.412) 7.387 5.754 ( -23.182 -19.569 1.221) 30.362 7.660 ( -4.508 4.130 -0.131) 6.115 9.188 ( -9.697 10.249 0.533) 14.120 9.446 ( -5.066 2.385 -0.542) 5.625 10.362 ( 11.769 -1.626 -6.848) 13.713 10.531 ( 0.468 -15.512 2.171) 15.670 11.293 ( -1.239 -3.191 5.011) 6.068 14.530 ( 10.513 6.279 -2.896) 12.583 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( -8.156 -3.508 1.181) 8.957 4.011 ( -18.086 5.385 3.374) 19.170 4.878 ( -8.956 -4.858 -8.206) 13.082 5.191 ( -0.733 -9.295 -5.367) 10.759 5.361 ( -3.367 -0.453 8.321) 8.988 7.554 ( -12.166 4.489 0.090) 12.968 9.096 ( -10.478 4.847 1.079) 11.595 9.341 ( -12.250 8.849 -2.913) 15.390 10.285 ( -1.581 -9.646 -0.441) 9.785 10.685 ( 16.981 -3.308 -5.999) 18.311 11.319 ( 9.862 -9.025 8.391) 15.783 14.739 ( 8.923 4.028 -4.352) 10.714 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.364 ( 0.000 2.532 0.067) 2.533 3.457 ( 0.000 3.368 1.150) 3.559 4.528 ( 0.000 10.369 -0.575) 10.385 4.652 ( -0.000 -1.719 -5.518) 5.780 5.806 ( 0.000 6.205 1.759) 6.450 7.626 ( 0.000 11.093 -0.895) 11.129 8.956 ( 0.000 5.949 -0.864) 6.012 9.550 ( 0.000 16.540 -1.792) 16.637 10.205 ( 0.000 2.522 0.870) 2.668 10.209 ( -0.000 -7.246 -2.013) 7.520 11.413 ( -0.000 -22.390 3.267) 22.627 15.115 ( -0.000 -3.240 -3.321) 4.640 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( 6.878 2.075 -0.675) 7.216 3.509 ( 2.758 1.779 2.779) 4.301 4.624 ( -0.091 -0.881 -3.000) 3.128 4.755 ( 16.134 7.335 -0.501) 17.731 5.839 ( -2.469 3.459 0.880) 4.340 7.723 ( 1.492 6.805 -0.928) 7.028 9.085 ( 8.815 4.282 -0.234) 9.803 9.630 ( -7.950 14.844 -2.742) 17.061 10.140 ( 1.097 -5.460 2.083) 5.946 10.270 ( 3.205 1.246 -0.751) 3.520 11.229 ( 0.694 -16.431 1.590) 16.523 15.016 ( -7.176 -2.158 -2.543) 7.914 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( 4.406 1.301 0.374) 4.610 3.663 ( 12.852 0.910 2.787) 13.182 4.612 ( -0.373 0.258 -0.553) 0.715 5.196 ( 27.607 4.781 -0.823) 28.030 5.792 ( -5.227 0.217 0.022) 5.231 7.800 ( 1.473 3.284 -0.464) 3.629 9.290 ( 9.211 2.816 0.499) 9.644 9.557 ( -12.082 7.095 -1.769) 14.123 10.193 ( 3.746 3.946 1.026) 5.537 10.305 ( 6.696 -6.345 -0.741) 9.255 11.144 ( 2.576 -7.349 1.214) 7.881 14.819 ( -12.998 -0.785 -1.768) 13.141 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( 4.836 -0.029 1.145) 4.970 3.934 ( 16.608 0.101 2.437) 16.786 4.610 ( -0.973 1.233 1.335) 2.061 5.639 ( -4.710 2.507 -4.730) 7.130 5.777 ( 29.460 -3.261 2.590) 29.753 7.812 ( -2.428 -0.104 -0.583) 2.500 9.378 ( -10.460 -1.480 0.148) 10.565 9.431 ( 4.988 1.877 0.058) 5.329 10.147 ( -8.819 1.474 0.335) 8.947 10.580 ( 24.500 0.404 -0.936) 24.521 11.152 ( 2.072 -1.904 1.167) 3.046 14.564 ( -15.885 1.066 -0.684) 15.935 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 5.110 -1.015 0.597) 5.244 4.228 ( 17.277 -2.153 3.553) 17.770 4.610 ( -1.446 1.813 2.255) 3.234 5.456 ( -11.580 -0.827 -4.051) 12.295 6.307 ( 32.007 -7.287 0.319) 32.827 7.698 ( -9.435 -1.005 -1.166) 9.559 9.209 ( -3.431 -7.195 0.353) 7.979 9.523 ( 4.027 1.777 -1.272) 4.582 10.007 ( -10.295 4.448 3.336) 11.700 11.010 ( 22.749 1.315 -1.446) 22.833 11.147 ( -1.453 -1.897 0.140) 2.394 14.325 ( -13.900 3.898 0.663) 14.452 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.807 ( 4.260 -1.642 0.020) 4.565 4.475 ( 14.547 -8.511 6.155) 17.942 4.619 ( -0.451 3.254 2.006) 3.849 5.236 ( -12.189 2.574 -5.964) 13.812 6.606 ( 15.780 -22.820 0.134) 27.745 7.546 ( -6.948 6.578 -1.397) 9.669 9.145 ( 4.410 -6.836 0.142) 8.136 9.569 ( 1.428 -2.415 -3.075) 4.162 9.951 ( -5.924 11.057 6.150) 13.971 11.037 ( -5.698 -8.295 0.313) 10.069 11.318 ( 11.305 0.974 -2.594) 11.639 14.207 ( -6.208 7.682 1.450) 9.983 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.835 ( 0.954 -2.847 0.058) 3.003 4.562 ( 8.368 -13.911 4.033) 16.727 4.663 ( -1.879 2.622 4.978) 5.932 5.111 ( -4.972 9.038 -7.060) 12.500 6.371 ( -8.249 -30.401 0.003) 31.500 7.615 ( 3.625 7.569 -1.013) 8.453 9.232 ( 10.095 -1.190 0.228) 10.168 9.511 ( -3.657 -2.363 -1.383) 4.569 10.047 ( 1.493 10.668 3.894) 11.454 10.788 ( -10.399 -13.401 -0.891) 16.986 11.398 ( 0.286 -2.295 -0.959) 2.504 14.274 ( 2.442 10.289 0.836) 10.607 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( -3.562 -5.495 0.401) 6.561 4.507 ( -5.708 -4.960 5.482) 9.340 4.683 ( 5.242 -1.279 -2.503) 5.948 5.167 ( 1.521 6.201 -2.047) 6.705 5.862 ( -15.584 -26.383 0.079) 30.642 7.718 ( 1.611 3.040 -0.415) 3.466 9.406 ( -4.436 -3.647 0.113) 5.744 9.443 ( 7.775 9.571 0.067) 12.331 10.204 ( 5.797 6.259 0.314) 8.537 10.450 ( -10.076 -15.975 -0.552) 18.895 11.313 ( -4.402 -5.824 0.623) 7.327 14.460 ( 6.438 9.996 -0.433) 11.898 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( -5.679 -6.416 0.351) 8.575 4.355 ( -13.266 4.902 4.506) 14.843 4.771 ( 8.706 -4.596 -7.971) 12.667 5.146 ( -6.599 -10.250 0.881) 12.222 5.459 ( -6.682 -6.094 2.033) 9.270 7.722 ( -3.758 2.062 -0.062) 4.287 9.270 ( -7.352 -3.121 0.701) 8.018 9.624 ( -4.504 16.554 -2.082) 17.282 10.197 ( -0.779 -11.487 0.998) 11.556 10.374 ( 11.327 -1.731 -1.726) 11.588 11.178 ( -1.616 -9.656 1.956) 9.984 14.657 ( 6.305 7.354 -1.386) 9.786 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( 0.000 0.850 0.227) 0.880 3.509 ( 0.000 0.859 3.545) 3.647 4.616 ( 0.000 0.380 -0.630) 0.736 4.665 ( 0.000 3.626 -0.257) 3.635 5.887 ( 0.000 1.498 -0.593) 1.611 7.757 ( 0.000 3.569 -0.692) 3.636 9.031 ( 0.000 2.095 -0.052) 2.095 9.841 ( 0.000 13.456 -2.064) 13.613 10.084 ( -0.000 -7.309 2.560) 7.744 10.248 ( 0.000 1.050 0.030) 1.050 11.088 ( -0.000 -9.800 -0.180) 9.801 15.058 ( -0.000 -0.702 -1.913) 2.038 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 6.990 0.201 -0.293) 6.999 3.548 ( 2.809 -0.431 5.549) 6.234 4.628 ( -0.154 1.872 1.735) 2.557 4.828 ( 16.571 0.224 -0.107) 16.573 5.860 ( -2.999 -0.852 -2.049) 3.730 7.790 ( 1.390 0.507 -0.133) 1.486 9.128 ( 9.045 0.171 0.276) 9.051 9.835 ( -11.986 3.707 0.891) 12.577 10.047 ( 5.493 -3.788 0.148) 6.674 10.281 ( 1.440 0.683 -0.068) 1.595 11.055 ( 2.254 -0.574 -0.652) 2.416 14.991 ( -7.177 0.923 -1.347) 7.360 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.573 ( 4.587 -1.189 0.607) 4.777 3.678 ( 12.483 -1.941 4.692) 13.476 4.655 ( -0.812 3.091 3.911) 5.051 5.205 ( 28.257 -3.631 0.126) 28.490 5.757 ( -5.939 -2.464 -3.640) 7.388 7.801 ( 1.032 -3.094 -0.402) 3.286 9.277 ( 7.829 -3.953 -0.817) 8.808 9.600 ( -12.320 -4.236 2.589) 13.282 10.178 ( 8.417 -1.801 -0.498) 8.622 10.323 ( 4.142 5.822 1.222) 7.249 11.121 ( 2.214 4.708 -1.122) 5.322 14.832 ( -12.777 2.842 -0.465) 13.098 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( 4.866 -3.073 0.523) 5.779 3.916 ( 16.306 -4.170 3.925) 17.283 4.680 ( -1.958 3.649 5.359) 6.773 5.588 ( -4.975 -5.356 -1.927) 7.560 5.679 ( 28.772 -6.469 -2.976) 29.640 7.749 ( -1.657 -5.964 -1.349) 6.335 9.203 ( -5.630 -11.115 -0.573) 12.472 9.481 ( 1.289 -2.607 0.007) 2.908 10.201 ( -4.647 4.958 5.632) 8.826 10.625 ( 21.032 1.819 -0.034) 21.111 11.185 ( -1.016 6.717 -2.924) 7.396 14.629 ( -15.065 5.300 0.913) 15.996 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( 5.841 -4.241 -0.817) 7.264 4.146 ( 15.537 -8.978 4.605) 18.526 4.696 ( -2.289 4.082 5.863) 7.502 5.411 ( -8.895 -0.292 -5.230) 10.323 6.042 ( 24.774 -18.783 -0.921) 31.103 7.640 ( -2.897 -4.634 -1.779) 5.747 9.024 ( -0.824 -9.848 -0.031) 9.883 9.482 ( 3.274 -5.690 -2.698) 7.098 10.206 ( -6.769 11.448 9.403) 16.287 10.914 ( 12.112 -10.430 3.002) 16.263 11.230 ( 0.302 11.787 -7.784) 14.129 14.460 ( -12.308 8.430 2.399) 15.110 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.735 ( 5.258 -5.147 -1.729) 7.558 4.267 ( 10.773 -14.947 4.034) 18.861 4.739 ( -0.289 5.121 7.294) 8.917 5.269 ( -7.478 4.327 -6.086) 10.568 6.075 ( 7.019 -29.316 -1.095) 30.164 7.600 ( 2.550 -1.044 -1.450) 3.113 9.015 ( 8.883 -5.563 0.139) 10.482 9.463 ( 2.921 -6.977 -2.638) 8.011 10.249 ( -6.384 13.270 9.845) 17.713 10.828 ( -6.297 -12.060 0.747) 13.625 11.352 ( 2.591 5.719 -6.784) 9.244 14.413 ( -5.245 11.169 2.965) 12.690 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 1.011 -7.209 -1.270) 7.389 4.292 ( 10.153 -14.254 0.038) 17.500 4.798 ( -3.504 5.186 9.963) 11.765 5.212 ( -2.584 4.707 -5.629) 7.779 5.767 ( -5.623 -28.918 -1.478) 29.496 7.663 ( 5.464 -1.823 -0.704) 5.803 9.193 ( 14.430 -2.845 -0.477) 14.716 9.443 ( 3.355 -4.565 0.080) 5.666 10.295 ( -4.737 8.415 7.154) 12.018 10.550 ( -13.179 -6.802 -1.674) 14.925 11.338 ( -4.416 -1.376 -4.216) 6.259 14.505 ( 1.045 11.533 2.293) 11.805 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( -0.000 -0.842 0.518) 0.989 3.536 ( -0.000 -1.707 6.152) 6.385 4.667 ( 0.000 3.545 4.600) 5.808 4.667 ( -0.000 -3.299 -0.048) 3.299 5.859 ( -0.000 -2.924 -3.558) 4.605 7.768 ( -0.000 -2.746 0.258) 2.759 9.040 ( -0.000 -1.466 0.953) 1.748 9.881 ( -0.000 -14.481 1.579) 14.567 10.067 ( 0.000 10.265 1.351) 10.353 10.238 ( -0.000 -1.670 -0.973) 1.932 11.072 ( 0.000 8.386 -1.788) 8.574 15.066 ( 0.000 2.565 -1.058) 2.774 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 6.555 -1.899 -0.201) 6.827 3.547 ( 2.558 -4.099 6.322) 7.956 4.722 ( -0.346 4.497 7.051) 8.370 4.764 ( 16.279 -6.688 0.431) 17.605 5.784 ( -2.738 -4.478 -4.941) 7.209 7.730 ( 1.040 -7.061 -0.322) 7.144 9.091 ( 7.536 -4.324 0.453) 8.700 9.673 ( -6.460 -16.069 1.382) 17.374 10.127 ( -0.208 7.837 0.385) 7.849 10.301 ( 4.773 1.530 3.159) 5.925 11.183 ( 0.357 13.508 -3.138) 13.872 15.037 ( -6.913 4.298 -0.492) 8.155 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( 4.148 -4.895 -0.431) 6.430 3.634 ( 11.868 -5.714 4.463) 13.907 4.775 ( -1.718 4.176 8.771) 9.865 5.057 ( 26.633 -11.461 0.863) 29.007 5.658 ( -4.525 -3.989 -6.201) 8.651 7.655 ( 1.290 -11.612 -1.593) 11.792 9.133 ( 2.445 -9.321 -1.838) 9.810 9.419 ( -3.655 -13.536 1.523) 14.103 10.269 ( 6.978 7.163 2.316) 10.265 10.419 ( 4.617 3.794 6.602) 8.905 11.306 ( -1.679 15.462 -5.333) 16.442 14.924 ( -11.964 6.223 0.698) 13.504 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( 5.309 -7.038 -1.255) 8.904 3.809 ( 14.461 -9.061 3.133) 17.350 4.796 ( -2.538 2.188 8.530) 9.164 5.377 ( 22.721 -16.967 3.274) 28.545 5.540 ( -0.978 -2.002 -8.503) 8.791 7.545 ( 1.978 -14.005 -2.366) 14.341 8.978 ( -4.665 -10.194 -1.100) 11.264 9.322 ( 4.266 -11.705 -1.361) 12.532 10.447 ( -1.846 13.005 11.674) 17.573 10.593 ( 13.453 -4.991 2.724) 14.605 11.393 ( -4.107 17.261 -8.831) 19.819 14.777 ( -13.467 8.440 2.500) 16.088 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 7.019 -7.629 -2.507) 10.665 3.935 ( 12.039 -14.434 2.635) 18.979 4.804 ( -0.422 0.779 7.609) 7.661 5.399 ( -4.357 0.807 -0.109) 4.432 5.591 ( 15.505 -23.276 -4.436) 28.317 7.463 ( 5.519 -12.558 -2.179) 13.889 8.863 ( 1.952 -5.818 -0.183) 6.140 9.283 ( 5.523 -11.964 -2.207) 13.361 10.537 ( -7.240 11.799 14.346) 19.935 10.710 ( 6.634 -9.113 1.782) 11.412 11.458 ( -4.606 16.925 -11.825) 21.155 14.672 ( -10.481 10.568 4.224) 15.472 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.590 ( 5.734 -7.921 -2.697) 10.143 3.963 ( 10.203 -16.852 0.760) 19.715 4.856 ( 2.870 -0.872 8.703) 9.205 5.329 ( -6.393 2.610 0.389) 6.916 5.491 ( 4.155 -24.478 -5.180) 25.363 7.478 ( 9.426 -10.181 -1.316) 13.937 8.937 ( 10.904 -2.778 -0.030) 11.252 9.268 ( 6.779 -11.037 -0.379) 12.958 10.479 ( -7.957 -4.515 6.840) 11.423 10.706 ( -5.588 7.099 5.580) 10.619 11.459 ( -7.962 10.799 -11.249) 17.509 14.664 ( -4.933 11.358 4.841) 13.296 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -0.000 -3.003 0.371) 3.026 3.495 ( -0.000 -6.609 5.026) 8.303 4.537 ( -0.000 -9.811 0.276) 9.815 4.804 ( 0.000 4.809 10.098) 11.184 5.736 ( -0.000 -5.986 -5.645) 8.228 7.624 ( -0.000 -12.338 -1.130) 12.389 8.976 ( -0.000 -6.035 1.160) 6.145 9.555 ( -0.000 -17.343 -1.161) 17.382 10.184 ( -0.000 -2.476 -1.207) 2.755 10.325 ( 0.000 13.117 10.059) 16.529 11.332 ( 0.000 18.618 -5.224) 19.337 15.144 ( 0.000 5.706 -0.358) 5.717 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 5.067 -4.955 -0.998) 7.157 3.448 ( 3.145 -9.427 3.935) 10.689 4.567 ( 15.697 -13.140 0.668) 20.482 4.867 ( -1.085 2.242 10.759) 11.043 5.645 ( -1.705 -4.976 -5.172) 7.377 7.478 ( 1.282 -18.311 -2.471) 18.521 8.957 ( 5.088 -9.431 -0.220) 10.718 9.348 ( -3.996 -15.418 -0.790) 15.947 10.190 ( 4.087 -0.060 -0.991) 4.205 10.516 ( 0.943 13.729 14.512) 19.999 11.496 ( -1.562 20.656 -7.739) 22.113 15.151 ( -6.430 7.105 0.397) 9.591 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 3.714 -10.425 -1.518) 11.170 3.505 ( 11.188 -9.256 1.593) 14.607 4.760 ( 20.776 -17.442 2.249) 27.220 4.877 ( 1.104 -3.133 6.824) 7.590 5.567 ( -2.436 -0.544 -2.516) 3.544 7.301 ( 3.564 -23.113 -3.362) 23.627 8.914 ( 1.462 -10.830 -2.601) 11.233 9.154 ( -1.267 -12.470 0.280) 12.537 10.318 ( 10.646 -0.895 0.014) 10.683 10.700 ( -1.953 14.387 17.766) 22.944 11.628 ( -4.072 21.665 -10.907) 24.595 15.080 ( -10.808 8.548 2.056) 13.933 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 6.947 -11.689 -2.610) 13.845 3.600 ( 11.530 -13.222 0.612) 17.554 4.786 ( 1.923 -10.550 6.032) 12.304 5.004 ( 19.675 -19.336 -0.825) 27.598 5.535 ( -3.473 4.334 0.911) 5.628 7.151 ( 8.376 -24.218 -3.362) 25.845 8.811 ( -0.988 -6.155 -1.991) 6.544 9.060 ( 3.871 -12.438 -0.393) 13.032 10.473 ( 9.177 -6.289 1.289) 11.200 10.842 ( -4.779 14.941 18.253) 24.068 11.713 ( -6.612 21.990 -14.348) 27.076 14.983 ( -11.826 9.907 4.405) 16.044 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 9.599 -10.839 -3.262) 14.841 3.627 ( 9.379 -17.116 0.192) 19.518 4.746 ( 4.865 -13.269 5.557) 15.186 5.066 ( 12.303 -21.405 -2.430) 24.808 5.526 ( -5.531 7.471 2.487) 9.622 7.113 ( 14.650 -21.078 -2.486) 25.789 8.785 ( 4.123 -3.150 -1.011) 5.287 9.031 ( 6.449 -11.096 0.456) 12.842 10.470 ( -0.320 -10.029 1.728) 10.182 10.956 ( -5.581 14.434 16.029) 22.281 11.730 ( -10.278 19.591 -16.677) 27.705 14.917 ( -9.407 10.591 6.487) 15.581 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -0.000 -6.397 -0.631) 6.428 3.324 ( -0.000 -13.002 1.285) 13.065 4.293 ( -0.000 -14.889 0.903) 14.916 4.905 ( -0.000 -3.870 9.001) 9.798 5.606 ( -0.000 -2.614 -1.646) 3.089 7.239 ( -0.000 -25.547 -3.716) 25.816 8.810 ( -0.000 -11.231 0.383) 11.238 9.240 ( -0.000 -11.912 -2.363) 12.144 10.148 ( -0.000 -0.206 -0.466) 0.509 10.714 ( 0.000 16.350 18.656) 24.806 11.700 ( 0.000 23.081 -10.160) 25.218 15.281 ( 0.000 7.914 0.524) 7.932 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 1.541 -15.037 -1.754) 15.217 3.260 ( 6.508 -10.081 -0.614) 12.015 4.267 ( 13.983 -17.262 1.260) 22.251 4.842 ( -0.571 -11.165 4.018) 11.880 5.598 ( -0.607 1.413 3.884) 4.177 6.962 ( 2.599 -31.451 -4.689) 31.904 8.725 ( 3.795 -13.324 -0.936) 13.885 9.112 ( -3.214 -6.492 -1.638) 7.427 10.191 ( 4.486 1.042 0.084) 4.607 10.934 ( -0.711 15.499 21.267) 26.325 11.877 ( -2.604 24.419 -12.685) 27.640 15.315 ( -5.768 8.655 1.580) 10.520 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 5.447 -17.123 -3.039) 18.224 3.287 ( 9.789 -13.125 -1.621) 16.453 4.378 ( 18.546 -21.282 1.720) 28.281 4.727 ( 2.270 -13.875 -0.166) 14.060 5.630 ( -0.907 3.635 7.626) 8.497 6.705 ( 7.715 -33.755 -5.175) 35.010 8.662 ( 5.046 -13.476 -2.372) 14.584 9.004 ( -4.261 -1.506 -0.080) 4.520 10.301 ( 6.847 -0.579 0.762) 6.914 11.113 ( -3.007 13.354 21.254) 25.280 12.007 ( -5.817 25.165 -15.225) 29.982 15.278 ( -9.504 9.327 3.790) 13.845 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 10.630 -16.986 -3.327) 20.313 3.304 ( 9.440 -16.292 -1.810) 18.916 4.423 ( 11.824 -24.782 3.200) 27.644 4.690 ( 9.984 -13.412 -3.197) 17.023 5.680 ( -1.973 5.590 8.450) 10.322 6.565 ( 16.439 -31.626 -4.799) 35.965 8.625 ( 6.443 -12.062 -2.342) 13.874 8.945 ( -2.686 1.544 1.324) 3.370 10.372 ( 2.916 -4.366 0.855) 5.319 11.235 ( -4.501 11.929 19.106) 22.970 12.067 ( -10.019 24.112 -17.771) 31.585 15.214 ( -10.466 9.702 6.665) 15.751 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -0.000 -19.742 -3.060) 19.978 3.086 ( -0.000 -12.721 -2.577) 12.979 3.986 ( -0.000 -16.322 1.865) 16.428 4.703 ( -0.000 -18.138 -0.208) 18.140 5.636 ( -0.000 0.258 9.442) 9.446 6.583 ( -0.000 -36.070 -6.100) 36.582 8.552 ( -0.000 -14.290 -0.376) 14.294 9.101 ( 0.000 -0.104 -2.326) 2.328 10.176 ( 0.000 2.989 0.351) 3.010 11.156 ( 0.000 13.488 23.047) 26.704 12.110 ( 0.000 26.457 -13.673) 29.781 15.454 ( 0.000 8.633 1.713) 8.801 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 3.076 -22.156 -4.832) 22.885 2.990 ( 6.769 -16.838 -3.422) 18.467 3.934 ( 10.885 -16.667 1.994) 20.007 4.513 ( 1.967 -21.134 -2.325) 21.352 5.650 ( 1.937 -8.007 12.458) 14.936 6.246 ( 3.103 -31.525 -7.432) 32.538 8.438 ( 3.399 -14.503 -0.954) 14.926 9.095 ( -3.307 5.636 -1.310) 6.665 10.237 ( 2.726 3.284 0.644) 4.316 11.333 ( -1.234 9.689 21.875) 23.957 12.305 ( -3.676 27.799 -13.929) 31.310 15.502 ( -4.926 8.563 3.044) 10.337 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 8.743 -22.728 -4.877) 24.836 2.951 ( 10.546 -19.624 -3.566) 22.562 3.982 ( 12.941 -19.148 2.046) 23.201 4.375 ( 7.623 -19.983 -3.155) 21.619 5.642 ( 10.680 -20.823 12.357) 26.464 6.044 ( 3.799 -17.039 -7.360) 18.945 8.376 ( 5.976 -13.609 -1.353) 14.925 9.088 ( -5.967 9.222 0.126) 10.985 10.312 ( 2.288 1.172 0.692) 2.662 11.446 ( -2.156 6.850 18.390) 19.742 12.431 ( -8.677 27.214 -14.464) 32.017 15.486 ( -8.051 8.499 5.636) 12.993 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -0.000 -25.690 -7.113) 26.657 2.719 ( -0.000 -22.413 -4.430) 22.847 3.705 ( -0.000 -12.932 2.309) 13.136 4.246 ( -0.000 -26.447 -3.573) 26.687 5.417 ( -0.000 -39.008 8.862) 40.003 6.027 ( -0.000 -6.217 -3.043) 6.922 8.267 ( -0.000 -13.835 -0.418) 13.841 9.204 ( 0.000 11.143 -1.134) 11.200 10.262 ( 0.000 5.129 0.598) 5.164 11.481 ( 0.000 4.779 19.920) 20.485 12.582 ( 0.000 29.435 -11.357) 31.550 15.632 ( 0.000 7.632 3.034) 8.213 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 5.286 -27.163 -7.674) 28.717 2.541 ( 8.802 -25.776 -4.562) 27.617 3.660 ( 7.076 -12.245 1.966) 14.279 4.004 ( 6.225 -28.941 -3.733) 29.837 5.077 ( 10.045 -46.455 4.730) 47.763 6.005 ( -1.136 1.757 0.611) 2.180 8.163 ( 3.235 -12.535 -0.488) 12.955 9.298 ( -4.132 14.648 -0.202) 15.221 10.321 ( 0.457 4.634 0.590) 4.693 11.559 ( -0.395 0.909 16.108) 16.139 12.795 ( -5.532 28.907 -9.534) 30.937 15.680 ( -3.838 6.864 4.371) 8.998 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -0.000 -29.615 -9.588) 31.128 2.159 ( -0.000 -30.638 -4.962) 31.037 3.505 ( -0.000 -8.822 1.523) 8.952 3.589 ( -0.000 -39.613 -3.561) 39.772 4.540 ( -0.000 -45.129 3.304) 45.250 6.043 ( 0.000 2.667 1.594) 3.107 8.019 ( -0.000 -10.932 0.007) 10.932 9.499 ( 0.000 18.262 0.401) 18.266 10.375 ( 0.000 5.746 0.416) 5.761 11.590 ( -0.000 -4.152 13.290) 13.923 13.108 ( 0.000 28.511 -5.818) 29.099 15.783 ( 0.000 5.185 3.925) 6.503 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -0.000 0.000 28.833) 28.833 0.561 ( -0.000 0.000 28.833) 28.833 1.122 ( -0.000 0.000 58.191) 58.191 3.219 ( 0.000 -0.000 -3.765) 3.765 3.219 ( 0.000 -0.000 -3.765) 3.765 7.292 ( 0.000 -0.000 -12.754) 12.754 7.711 ( -0.000 0.000 0.810) 0.810 7.711 ( -0.000 0.000 0.810) 0.810 10.584 ( 0.000 -0.000 -0.617) 0.617 10.584 ( 0.000 -0.000 -0.617) 0.617 14.135 ( -0.000 0.000 3.118) 3.118 15.221 ( 0.000 -0.000 -1.117) 1.117 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 23.555 13.599 17.943) 32.584 1.129 ( 18.615 10.747 30.334) 37.177 1.740 ( 40.983 23.662 33.012) 57.700 3.231 ( 2.338 1.350 -4.479) 5.229 3.368 ( 13.051 7.535 -4.433) 15.709 6.274 ( -16.397 -9.467 6.733) 20.095 7.755 ( 3.295 1.902 1.156) 3.977 9.862 ( 55.048 31.782 -55.903) 84.650 10.488 ( 1.924 1.111 -10.384) 10.619 10.553 ( -2.432 -1.404 -0.715) 2.898 14.080 ( -7.961 -4.596 6.717) 11.385 15.423 ( 11.058 6.385 -19.308) 23.148 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 27.280 15.750 11.177) 33.424 1.597 ( 16.358 9.445 26.626) 32.645 2.869 ( 46.166 26.654 18.033) 56.275 3.298 ( 4.895 2.826 -5.098) 7.612 3.778 ( 24.661 14.238 -4.892) 28.894 6.071 ( -5.313 -3.067 -3.445) 7.036 7.868 ( 6.211 3.586 1.274) 7.284 9.892 ( -16.366 -9.449 -2.324) 19.040 10.474 ( -4.103 -2.369 -0.732) 4.794 10.932 ( 25.257 14.582 -34.802) 45.406 13.831 ( -15.736 -9.085 13.163) 22.437 15.493 ( 1.342 0.775 -21.500) 21.556 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 18.902 10.913 16.693) 27.478 2.223 ( 25.050 14.463 8.160) 30.055 3.425 ( 7.894 4.558 -5.463) 10.627 3.801 ( 29.841 17.228 12.906) 36.795 4.505 ( 40.167 23.191 -5.376) 46.692 5.962 ( -2.957 -1.707 -5.905) 6.821 8.045 ( 8.946 5.165 1.118) 10.390 9.488 ( -17.199 -9.930 -0.722) 19.873 10.370 ( -4.596 -2.654 -0.621) 5.343 11.238 ( 10.331 5.965 -23.850) 26.667 13.476 ( -19.468 -11.240 18.622) 29.191 15.378 ( -4.883 -2.819 -20.570) 21.328 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 20.853 12.039 8.636) 25.580 2.749 ( 18.584 10.729 5.831) 22.237 3.633 ( 12.036 6.949 -4.927) 14.746 4.382 ( 19.810 11.437 8.824) 24.518 5.367 ( 29.630 17.107 -12.649) 36.477 5.966 ( 9.286 5.361 2.023) 10.912 8.277 ( 10.977 6.338 0.707) 12.695 9.146 ( -11.829 -6.830 -0.974) 13.694 10.271 ( -3.831 -2.212 -0.342) 4.437 11.273 ( -0.705 -0.407 -19.406) 19.423 13.063 ( -22.526 -13.005 20.749) 33.273 15.176 ( -6.754 -3.900 -17.585) 19.237 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 21.276 12.284 3.125) 24.765 3.095 ( 10.857 6.268 2.948) 12.878 3.936 ( 15.007 8.664 -3.017) 17.589 4.779 ( 12.983 7.496 4.677) 15.704 5.562 ( -0.005 -0.003 -13.362) 13.362 6.535 ( 29.892 17.258 5.393) 34.935 8.538 ( 11.518 6.650 0.086) 13.300 8.980 ( -1.651 -0.953 -0.934) 2.123 10.201 ( -2.175 -1.256 0.130) 2.515 11.115 ( -7.258 -4.190 -16.882) 18.847 12.567 ( -26.464 -15.279 17.237) 35.085 14.991 ( -5.010 -2.892 -11.448) 12.826 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 6.142 3.546 0.789) 7.136 3.539 ( 20.160 11.640 -0.772) 23.292 4.260 ( 13.275 7.664 -1.315) 15.385 4.973 ( 3.234 1.867 -5.091) 6.314 5.509 ( -0.814 -0.470 -1.241) 1.557 7.136 ( 20.928 12.083 2.639) 24.309 8.786 ( 10.053 5.804 -0.623) 11.625 9.081 ( 10.409 6.010 -0.466) 12.029 10.173 ( -0.421 -0.243 0.723) 0.871 10.873 ( -9.122 -5.267 -13.710) 17.289 11.977 ( -28.669 -16.552 10.959) 34.871 14.882 ( -2.450 -1.414 -4.752) 5.530 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 3.372 1.947 -0.258) 3.902 3.964 ( 17.554 10.135 -4.741) 20.817 4.510 ( 8.666 5.003 -0.382) 10.014 4.903 ( -5.563 -3.212 -10.786) 12.554 5.534 ( 1.120 0.647 7.423) 7.535 7.514 ( 12.287 7.094 1.091) 14.230 8.979 ( 6.887 3.976 -1.150) 8.036 9.409 ( 17.179 9.918 -0.123) 19.837 10.179 ( 0.419 0.242 1.189) 1.284 10.627 ( -9.469 -5.467 -9.527) 14.503 11.379 ( -24.565 -14.182 5.870) 28.966 14.840 ( -0.701 -0.405 -0.159) 0.825 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 1.137 0.656 -0.667) 1.472 4.253 ( 7.127 4.115 -12.694) 15.128 4.645 ( 3.113 1.797 0.130) 3.597 4.766 ( -0.564 -0.326 -3.527) 3.587 5.561 ( -1.401 -0.809 7.683) 7.851 7.713 ( 4.770 2.754 0.725) 5.556 9.087 ( 2.849 1.645 -1.199) 3.502 9.813 ( 17.079 9.861 -0.588) 19.730 10.189 ( -0.107 -0.062 1.229) 1.235 10.345 ( -13.345 -7.705 -4.454) 16.040 10.988 ( -9.284 -5.360 2.151) 10.934 14.844 ( 0.660 0.381 2.443) 2.560 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.443 ( -1.085 -0.626 -0.725) 1.447 4.144 ( -9.680 -5.589 -14.065) 17.966 4.651 ( -2.597 -1.499 0.411) 3.027 4.939 ( 13.213 7.629 -1.461) 15.327 5.505 ( -5.632 -3.252 7.288) 9.768 7.725 ( -4.087 -2.360 1.410) 4.925 9.098 ( -1.641 -0.948 -0.731) 2.032 9.850 ( -15.872 -9.164 1.307) 18.374 10.178 ( -1.083 -0.625 0.779) 1.473 10.349 ( 18.222 10.520 -5.366) 21.714 10.950 ( 4.010 2.315 1.274) 4.802 14.890 ( 2.580 1.490 4.328) 5.255 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.389 ( -3.614 -2.086 -0.536) 4.207 3.825 ( -14.404 -8.316 -9.674) 19.241 4.531 ( -7.973 -4.603 0.520) 9.222 5.220 ( 7.555 4.362 -9.638) 13.000 5.382 ( -3.300 -1.905 12.168) 12.751 7.535 ( -13.153 -7.594 2.344) 15.368 9.005 ( -6.426 -3.710 -0.052) 7.420 9.466 ( -16.590 -9.578 2.524) 19.322 10.153 ( -0.950 -0.548 0.101) 1.101 10.809 ( 22.812 13.171 -8.250) 27.603 11.124 ( 9.892 5.711 1.401) 11.508 14.996 ( 5.416 3.127 6.192) 8.801 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -7.047 -4.069 -0.068) 8.138 3.434 ( -17.829 -10.293 -5.287) 21.255 4.300 ( -12.136 -7.007 0.445) 14.021 5.047 ( -13.317 -7.689 -0.652) 15.391 5.584 ( 10.970 6.333 0.314) 12.671 7.130 ( -23.627 -13.641 2.899) 27.435 8.810 ( -10.512 -6.069 0.385) 12.144 9.157 ( -10.220 -5.901 2.978) 12.171 10.147 ( 0.671 0.387 -0.397) 0.870 11.312 ( 22.447 12.960 -20.530) 33.065 11.380 ( 12.927 7.463 11.214) 18.670 15.176 ( 8.340 4.815 7.369) 12.126 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -21.341 -12.321 -0.897) 24.658 3.052 ( -12.560 -7.252 0.896) 14.531 4.003 ( -13.385 -7.728 0.060) 15.456 4.688 ( -18.125 -10.464 0.600) 20.937 5.788 ( 6.694 3.865 -5.028) 9.221 6.472 ( -34.360 -19.838 4.644) 39.946 8.545 ( -12.463 -7.195 0.394) 14.396 9.055 ( 0.748 0.432 2.449) 2.597 10.185 ( 2.793 1.613 -0.546) 3.271 11.547 ( 8.070 4.659 -11.396) 14.721 11.908 ( 25.584 14.771 1.657) 29.588 15.408 ( 9.691 5.595 6.453) 12.917 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -24.283 -14.020 3.688) 28.281 2.686 ( -20.196 -11.660 2.580) 23.463 3.720 ( -10.960 -6.328 -0.701) 12.675 4.221 ( -23.466 -13.548 1.414) 27.133 5.490 ( -38.617 -22.295 -6.340) 45.039 5.995 ( 0.117 0.068 3.459) 3.462 8.264 ( -11.884 -6.861 0.167) 13.724 9.194 ( 10.274 5.932 1.149) 11.919 10.267 ( 4.418 2.551 -0.491) 5.125 11.635 ( 2.695 1.556 -11.259) 11.681 12.509 ( 26.246 15.153 3.118) 30.466 15.634 ( 8.338 4.814 2.701) 10.000 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 0.000 27.005 19.968) 33.586 1.224 ( 0.000 28.892 25.181) 38.326 1.812 ( 0.000 37.720 38.769) 54.091 3.224 ( 0.000 3.040 -4.866) 5.737 3.339 ( 0.000 14.203 -5.326) 15.169 6.289 ( -0.000 -21.484 5.195) 22.103 7.743 ( 0.000 3.170 0.785) 3.266 9.649 ( 0.000 65.240 -51.014) 82.818 10.508 ( 0.000 3.252 -9.061) 9.627 10.552 ( -0.000 -2.790 -0.738) 2.886 14.096 ( -0.000 -9.192 6.695) 11.372 15.375 ( 0.000 12.139 -16.526) 20.506 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 11.863 28.660 14.932) 34.425 1.625 ( 7.092 17.980 28.987) 34.840 2.612 ( 28.467 43.155 22.280) 56.295 3.265 ( 2.275 5.137 -5.495) 7.859 3.602 ( 12.887 19.560 -5.831) 24.138 6.097 ( -4.160 -7.702 -2.764) 9.180 7.824 ( 4.028 4.819 1.086) 6.374 9.921 ( -0.833 -8.798 -8.866) 12.518 10.485 ( -1.869 -2.690 -2.347) 4.030 10.698 ( 12.051 27.795 -32.216) 44.223 13.940 ( -6.967 -15.349 11.382) 20.339 15.438 ( 1.086 6.398 -20.349) 21.359 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 10.345 15.990 22.444) 29.435 2.096 ( 16.730 25.992 10.809) 32.747 3.369 ( 4.932 8.263 -5.891) 11.283 3.560 ( 28.003 28.715 15.496) 42.998 4.151 ( 27.854 28.244 -6.668) 40.225 5.971 ( -2.883 -3.106 -6.566) 7.815 7.976 ( 6.555 6.895 1.283) 9.600 9.624 ( -12.787 -15.332 -0.825) 19.981 10.405 ( -2.931 -3.517 -0.910) 4.667 11.043 ( 12.046 13.436 -27.269) 32.699 13.653 ( -11.741 -18.281 16.661) 27.379 15.382 ( -4.219 1.352 -20.892) 21.356 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 13.972 15.666 13.522) 24.970 2.639 ( 14.968 20.714 8.248) 26.854 3.555 ( 7.526 12.828 -5.907) 16.003 4.203 ( 19.515 15.573 10.135) 26.946 4.992 ( 33.543 27.912 -8.769) 44.510 5.920 ( 1.787 2.403 -3.359) 4.500 8.189 ( 8.581 8.939 1.255) 12.455 9.261 ( -12.361 -11.889 -0.713) 17.165 10.319 ( -3.586 -1.772 -0.654) 4.053 11.176 ( 4.189 1.157 -21.147) 21.589 13.293 ( -15.385 -19.573 19.852) 31.842 15.211 ( -7.450 -1.428 -19.033) 20.489 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 16.787 14.662 6.424) 23.196 3.038 ( 9.137 14.119 4.930) 17.525 3.847 ( 10.298 17.953 -4.109) 21.101 4.646 ( 14.486 9.767 6.586) 18.671 5.474 ( 7.252 4.525 -16.279) 18.387 6.265 ( 24.752 20.441 6.167) 32.689 8.445 ( 9.474 10.409 1.026) 14.113 9.004 ( -5.683 -6.602 -0.844) 8.752 10.251 ( -3.391 0.744 -0.398) 3.495 11.096 ( -2.755 -5.538 -18.038) 19.069 12.854 ( -20.397 -20.295 17.996) 33.938 15.014 ( -6.218 -2.739 -13.749) 15.336 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 6.237 9.019 2.021) 11.150 3.343 ( 16.025 14.098 0.984) 21.366 4.200 ( 9.420 19.181 -1.948) 21.457 4.909 ( 6.388 3.994 -1.268) 7.640 5.493 ( 1.085 0.242 -6.310) 6.408 6.916 ( 22.952 17.788 3.979) 29.309 8.710 ( 8.589 10.660 0.659) 13.705 8.965 ( 5.871 -0.038 -0.730) 5.916 10.217 ( -2.682 2.821 0.042) 3.893 10.895 ( -6.087 -7.598 -15.110) 17.975 12.309 ( -25.609 -19.507 12.112) 34.395 14.875 ( -2.470 -3.678 -6.655) 7.995 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 1.624 7.506 0.239) 7.684 3.759 ( 16.970 11.758 -3.579) 20.953 4.502 ( 5.235 16.301 -0.897) 17.144 4.927 ( -3.043 -0.065 -9.685) 10.152 5.529 ( 2.315 0.678 5.324) 5.845 7.381 ( 14.130 11.099 2.088) 18.089 8.941 ( 6.013 10.065 0.077) 11.724 9.185 ( 16.202 4.456 -0.451) 16.810 10.209 ( -1.936 2.940 0.676) 3.585 10.670 ( -6.672 -6.886 -11.326) 14.839 11.706 ( -26.754 -15.339 6.529) 31.523 14.810 ( 0.762 -4.502 -1.149) 4.708 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.476 ( -0.777 6.322 -0.543) 6.393 4.102 ( 12.495 8.171 -10.232) 18.099 4.660 ( 0.205 5.519 -1.432) 5.706 4.839 ( -5.243 7.830 -5.588) 10.956 5.581 ( 0.619 -1.114 8.024) 8.125 7.651 ( 7.425 5.883 1.089) 9.535 9.102 ( 1.649 8.888 -0.590) 9.059 9.553 ( 20.573 4.562 -0.770) 21.087 10.203 ( -2.022 0.688 1.752) 2.762 10.446 ( -8.647 -7.187 -6.820) 13.151 11.205 ( -19.267 -5.307 2.702) 20.167 14.798 ( 2.870 -4.738 1.935) 5.868 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( -2.932 4.940 -0.809) 5.801 4.175 ( -3.814 -1.450 -16.018) 16.530 4.742 ( 4.862 6.919 0.978) 8.513 4.862 ( -3.044 11.247 -2.082) 11.836 5.564 ( -2.758 -3.840 7.937) 9.239 7.755 ( 0.129 0.761 1.158) 1.392 9.162 ( -3.033 5.946 -0.766) 6.718 9.930 ( 19.419 -1.580 -2.211) 19.608 10.036 ( -14.949 -7.312 1.437) 16.703 10.319 ( 1.627 4.193 -1.894) 4.881 11.002 ( -5.606 4.660 0.582) 7.314 14.827 ( 4.759 -3.981 3.680) 7.214 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( -5.089 3.108 -0.743) 6.009 3.944 ( -11.827 -5.343 -11.940) 17.635 4.753 ( -13.203 10.797 0.845) 17.077 5.053 ( 12.905 5.818 -6.902) 15.749 5.468 ( -5.487 -5.589 9.624) 12.408 7.672 ( -8.551 -4.132 2.016) 9.708 9.109 ( -7.172 1.306 -0.323) 7.297 9.645 ( -15.567 -12.799 2.198) 20.272 10.143 ( 3.739 1.844 -0.468) 4.195 10.553 ( 17.047 10.964 -6.181) 21.190 11.061 ( 4.519 6.582 1.166) 8.069 14.912 ( 7.218 -2.184 5.061) 9.082 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( -7.620 0.426 -0.407) 7.642 3.620 ( -15.774 -5.937 -7.192) 18.325 4.568 ( -18.601 7.102 0.687) 19.923 5.144 ( -5.050 -4.854 -6.436) 9.513 5.465 ( 7.971 2.523 6.043) 10.317 7.390 ( -18.315 -8.680 2.868) 20.470 8.946 ( -10.458 -3.043 0.376) 10.898 9.292 ( -12.964 -9.485 2.764) 16.299 10.178 ( -1.554 4.209 -0.160) 4.489 10.986 ( 22.577 11.501 -14.336) 29.112 11.265 ( 10.835 5.489 5.914) 13.510 15.066 ( 9.972 0.083 5.891) 11.583 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -14.259 -6.895 -0.698) 15.854 3.267 ( -16.979 -1.937 -1.346) 17.142 4.277 ( -21.105 3.552 0.252) 21.403 4.879 ( -14.535 -8.639 -0.436) 16.914 5.673 ( 9.416 3.657 -3.039) 10.549 6.876 ( -30.220 -13.789 3.786) 33.433 8.708 ( -12.935 -4.574 0.724) 13.739 9.072 ( -4.389 -4.669 2.496) 6.877 10.197 ( -0.982 4.824 -0.495) 4.948 11.357 ( 14.640 6.688 -21.592) 26.931 11.631 ( 21.945 8.592 12.209) 26.542 15.281 ( 11.691 1.677 5.035) 12.839 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( -22.773 -9.248 2.285) 24.685 2.963 ( -19.075 -2.926 2.133) 19.416 3.947 ( -19.330 1.173 -0.724) 19.379 4.494 ( -20.336 -9.227 1.491) 22.381 5.764 ( -5.108 -1.220 -11.381) 12.534 6.170 ( -30.403 -13.714 8.516) 34.423 8.431 ( -13.982 -4.580 0.650) 14.727 9.082 ( 6.765 0.626 1.505) 6.958 10.243 ( 1.482 4.084 -0.620) 4.389 11.523 ( 7.589 2.448 -16.971) 18.751 12.192 ( 27.184 10.508 8.865) 30.463 15.509 ( 11.082 1.670 1.622) 11.323 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 29.610 14.265) 32.867 1.855 ( 0.000 19.923 27.762) 34.171 2.919 ( 0.000 49.890 20.864) 54.077 3.277 ( 0.000 5.788 -6.082) 8.396 3.703 ( 0.000 27.103 -7.130) 28.025 6.041 ( -0.000 -7.102 -4.786) 8.565 7.849 ( 0.000 7.103 0.904) 7.160 9.805 ( -0.000 -11.721 -5.060) 12.767 10.469 ( -0.000 -4.926 -0.821) 4.994 10.777 ( 0.000 26.488 -31.576) 41.215 13.855 ( -0.000 -20.589 12.623) 24.150 15.440 ( 0.000 6.926 -19.965) 21.132 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 3.834 19.913 22.198) 30.066 2.188 ( 8.762 26.837 13.468) 31.279 3.358 ( 4.086 8.746 -6.469) 11.621 3.568 ( 13.863 36.082 15.872) 41.786 4.097 ( 12.933 36.922 -7.801) 39.892 5.954 ( -1.418 -3.257 -6.923) 7.781 7.967 ( 3.947 9.007 1.177) 9.904 9.613 ( -5.305 -16.761 -0.508) 17.588 10.398 ( -1.503 -4.618 -1.061) 4.971 10.953 ( 5.492 15.346 -27.218) 31.725 13.635 ( -4.917 -23.754 15.685) 28.886 15.410 ( -3.087 3.851 -19.853) 20.458 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 6.518 17.556 16.493) 24.954 2.671 ( 11.646 23.856 9.939) 28.346 3.551 ( 7.691 14.617 -6.499) 17.750 4.116 ( 14.064 19.921 9.632) 26.219 4.787 ( 23.213 36.783 -7.974) 44.220 5.914 ( 0.681 3.308 -4.712) 5.797 8.163 ( 6.686 11.139 1.637) 13.094 9.319 ( -9.675 -14.454 -0.200) 17.395 10.335 ( -1.082 -2.861 -0.897) 3.188 11.051 ( 4.019 2.639 -22.012) 22.531 13.332 ( -8.375 -25.113 18.288) 32.175 15.279 ( -7.461 0.776 -18.542) 20.002 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 10.344 16.190 9.483) 21.425 3.072 ( 8.105 17.115 6.654) 20.072 3.871 ( 10.007 22.426 -4.709) 25.005 4.533 ( 13.259 12.186 6.250) 19.062 5.333 ( 11.573 12.342 -15.053) 22.646 6.147 ( 15.397 21.750 4.432) 27.014 8.418 ( 8.154 13.153 2.103) 15.618 9.038 ( -7.970 -9.637 -0.667) 12.524 10.302 ( -1.205 0.654 -0.941) 1.663 11.000 ( -0.057 -6.030 -18.583) 19.537 12.965 ( -12.424 -25.399 17.861) 33.443 15.075 ( -8.815 -1.685 -14.941) 17.429 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( 12.320 13.303 4.018) 18.571 3.343 ( 5.041 14.125 2.849) 15.265 4.265 ( 8.760 24.656 -2.168) 26.256 4.829 ( 8.721 6.544 0.113) 10.904 5.447 ( 2.836 2.808 -8.702) 9.573 6.747 ( 21.316 23.398 4.597) 31.984 8.697 ( 7.556 13.119 2.658) 15.371 8.893 ( 0.093 -2.944 -1.183) 3.174 10.298 ( -1.986 4.342 -1.151) 4.911 10.837 ( -2.895 -9.427 -15.628) 18.480 12.513 ( -17.943 -23.783 13.487) 32.703 14.877 ( -5.920 -4.258 -9.070) 11.638 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( 3.787 9.542 1.037) 10.318 3.623 ( 11.731 14.333 -1.383) 18.573 4.594 ( 4.610 16.919 -1.105) 17.570 4.956 ( 0.678 7.929 -8.007) 11.289 5.513 ( 2.833 2.831 3.010) 5.010 7.269 ( 15.077 15.307 2.997) 21.694 8.908 ( 9.128 3.436 1.940) 9.945 9.024 ( 7.757 11.240 -0.569) 13.669 10.295 ( -3.416 4.316 -1.720) 5.766 10.651 ( -3.492 -7.124 -11.360) 13.856 11.986 ( -22.023 -18.754 7.716) 29.938 14.742 ( -1.119 -6.920 -3.265) 7.733 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( -0.653 9.103 -0.250) 9.130 3.952 ( 12.192 11.229 -7.085) 18.026 4.693 ( -1.065 0.602 -3.988) 4.172 5.048 ( -3.199 19.806 -4.025) 20.463 5.590 ( 0.661 2.042 7.120) 7.436 7.589 ( 8.534 8.200 1.893) 11.985 9.141 ( 9.372 6.534 1.729) 11.555 9.276 ( 11.470 7.735 -1.180) 13.885 10.251 ( -2.262 -0.646 -2.155) 3.191 10.502 ( -6.888 -2.096 -5.441) 9.025 11.492 ( -19.980 -8.868 2.903) 22.052 14.679 ( 3.077 -8.644 0.559) 9.192 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( -3.383 7.817 -0.877) 8.563 4.152 ( 2.804 5.668 -14.359) 15.689 4.678 ( 3.448 1.110 -0.801) 3.710 5.156 ( -7.238 19.386 0.241) 20.695 5.603 ( -3.217 0.273 6.542) 7.295 7.747 ( 3.167 2.587 1.456) 4.341 9.288 ( -1.882 8.719 0.447) 8.931 9.564 ( 17.923 -3.132 -1.794) 18.283 10.227 ( -1.433 0.438 0.799) 1.698 10.312 ( -9.023 -0.538 -2.042) 9.267 11.197 ( -11.363 2.680 -0.557) 11.688 14.678 ( 6.231 -8.681 2.578) 10.993 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -5.672 5.348 -1.076) 7.870 4.063 ( -9.509 1.050 -12.790) 15.972 4.855 ( 12.044 4.839 -3.868) 13.544 5.166 ( -13.276 16.840 2.318) 21.568 5.529 ( -5.981 -2.721 6.274) 9.085 7.752 ( -3.583 -2.039 1.728) 4.470 9.258 ( -7.641 2.201 -0.057) 7.952 9.660 ( 0.459 -14.939 0.117) 14.947 10.177 ( -3.116 13.639 -0.388) 13.996 10.384 ( 10.850 3.280 -1.135) 11.391 11.117 ( -3.480 5.796 -1.492) 6.924 14.739 ( 9.032 -7.024 3.661) 12.013 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( -7.851 1.657 -0.938) 8.078 3.828 ( -14.650 1.195 -7.920) 16.696 5.041 ( -19.072 13.436 1.820) 23.400 5.064 ( 5.769 3.391 -9.727) 11.806 5.429 ( -1.551 -3.872 8.941) 9.866 7.591 ( -12.007 -5.337 2.348) 13.347 9.091 ( -9.830 -4.411 0.780) 10.803 9.414 ( -11.228 -10.190 1.733) 15.261 10.289 ( -2.437 12.513 -0.067) 12.749 10.688 ( 19.036 7.339 -7.938) 21.891 11.178 ( 5.494 3.811 1.516) 6.856 14.873 ( 11.787 -4.435 3.986) 13.209 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( -11.594 -2.776 -0.491) 11.932 3.553 ( -17.150 2.474 -3.124) 17.607 4.772 ( -26.642 11.553 1.106) 29.060 4.990 ( -7.610 -6.591 -4.572) 11.057 5.530 ( 9.540 1.640 1.262) 9.761 7.237 ( -23.027 -8.349 2.991) 24.676 8.873 ( -10.130 -4.949 1.572) 11.384 9.142 ( -10.325 -6.607 1.475) 12.346 10.321 ( -5.702 9.503 -0.240) 11.085 11.061 ( 19.219 6.650 -19.212) 27.976 11.410 ( 15.821 3.917 11.534) 19.967 15.072 ( 13.741 -2.270 2.877) 14.222 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( -18.616 -4.529 1.286) 19.202 3.276 ( -17.761 1.481 0.759) 17.839 4.389 ( -27.518 6.018 -0.498) 28.172 4.723 ( -14.694 -6.217 0.348) 15.959 5.697 ( 7.305 1.936 -6.171) 9.757 6.658 ( -34.537 -10.214 4.534) 36.300 8.643 ( -13.718 -2.701 1.674) 14.081 9.000 ( 0.594 -3.615 0.714) 3.733 10.308 ( -3.888 5.798 -0.674) 7.014 11.315 ( 12.909 3.044 -20.754) 24.630 11.864 ( 24.834 6.478 14.515) 29.485 15.297 ( 13.757 -1.676 -0.338) 13.863 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 0.000 18.181 21.341) 28.035 2.402 ( 0.000 26.362 11.112) 28.608 3.380 ( 0.000 9.257 -7.217) 11.738 3.846 ( 0.000 30.583 12.361) 32.986 4.379 ( 0.000 45.670 -7.184) 46.232 5.922 ( 0.000 -0.209 -6.813) 6.816 8.034 ( 0.000 10.977 0.998) 11.022 9.496 ( -0.000 -15.802 0.731) 15.819 10.356 ( -0.000 -5.728 -0.774) 5.780 10.954 ( 0.000 9.547 -25.201) 26.949 13.472 ( -0.000 -27.008 16.246) 31.518 15.417 ( 0.000 3.461 -18.602) 18.921 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 1.661 17.184 16.194) 23.670 2.755 ( 8.049 21.551 9.761) 24.990 3.531 ( 7.658 13.846 -6.976) 17.293 4.188 ( 5.316 21.911 7.316) 23.704 4.877 ( 8.741 39.261 -8.242) 41.058 5.942 ( 0.951 9.062 -3.478) 9.753 8.191 ( 4.209 12.685 1.267) 13.425 9.308 ( -5.173 -13.377 0.788) 14.364 10.300 ( 0.286 -4.501 -0.738) 4.570 10.952 ( 1.734 0.722 -21.615) 21.697 13.220 ( -3.385 -28.511 17.126) 33.431 15.344 ( -4.909 1.451 -16.984) 17.738 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 4.722 15.620 10.393) 19.346 3.111 ( 8.640 14.939 6.937) 18.600 3.876 ( 13.647 21.822 -4.936) 26.207 4.494 ( 7.602 13.760 3.910) 16.199 5.271 ( 6.962 16.497 -12.436) 21.801 6.192 ( 8.668 26.750 3.210) 28.302 8.431 ( 7.271 14.453 2.073) 16.312 9.080 ( -7.814 -9.004 -0.155) 11.923 10.287 ( 1.998 -1.242 -0.840) 2.499 10.877 ( 0.222 -6.683 -18.223) 19.411 12.907 ( -6.334 -28.960 16.704) 34.027 15.174 ( -9.104 -0.898 -14.418) 17.076 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 7.949 13.375 5.510) 16.505 3.389 ( 6.790 12.234 3.586) 14.444 4.334 ( 11.798 24.688 -2.357) 27.463 4.740 ( 9.168 6.991 -1.130) 11.584 5.416 ( 2.919 6.991 -7.492) 10.654 6.705 ( 14.692 28.482 4.056) 32.303 8.717 ( 7.207 13.945 3.456) 16.073 8.901 ( -4.358 -2.236 -1.287) 5.064 10.334 ( 2.242 3.442 -1.638) 4.422 10.723 ( -1.450 -10.535 -15.091) 18.461 12.536 ( -9.953 -27.826 13.962) 32.684 14.945 ( -9.918 -3.570 -10.497) 14.876 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 8.206 9.717 1.786) 12.844 3.630 ( 6.354 13.650 0.615) 15.069 4.641 ( 3.782 8.689 -1.354) 9.573 4.989 ( 8.380 16.806 -7.032) 20.053 5.519 ( 2.923 6.907 2.107) 7.791 7.202 ( 13.181 19.398 3.009) 23.644 8.811 ( 2.317 0.019 0.649) 2.406 9.053 ( 6.958 15.808 1.966) 17.383 10.370 ( -2.683 1.449 -5.856) 6.602 10.581 ( 1.124 -4.568 -8.461) 9.680 12.113 ( -13.793 -23.489 9.425) 28.824 14.721 ( -6.678 -6.807 -5.800) 11.161 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 4.013 7.343 -0.434) 8.379 3.889 ( 7.970 14.117 -3.399) 16.564 4.684 ( 0.103 -1.350 -3.525) 3.776 5.236 ( 1.671 16.084 -3.436) 16.532 5.672 ( 1.430 13.219 5.397) 14.350 7.536 ( 8.368 9.490 2.259) 12.852 8.940 ( 11.361 1.670 0.301) 11.487 9.311 ( 4.355 14.024 2.253) 14.856 10.237 ( -3.342 -7.677 -7.926) 11.529 10.604 ( -2.001 7.559 -2.368) 8.170 11.693 ( -14.793 -14.439 4.434) 21.142 14.559 ( -1.080 -9.852 -1.723) 10.060 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( -0.309 6.179 -1.657) 6.405 4.127 ( 5.580 12.367 -8.845) 16.196 4.650 ( -0.087 -1.078 -2.013) 2.285 5.341 ( -0.234 3.851 3.893) 5.480 5.821 ( -6.840 21.758 1.840) 22.882 7.706 ( 4.769 1.820 1.948) 5.464 9.197 ( 15.721 1.087 -0.083) 15.759 9.458 ( -1.390 7.299 0.816) 7.475 10.126 ( 2.774 -7.426 -3.964) 8.863 10.578 ( -10.771 9.744 0.555) 14.535 11.395 ( -10.687 -2.199 -0.403) 10.919 14.483 ( 4.629 -11.244 0.879) 12.191 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.732 ( -3.907 3.866 -2.098) 5.883 4.211 ( -5.555 9.948 -11.173) 15.958 4.706 ( 7.551 1.940 -2.015) 8.053 5.351 ( -0.257 -4.189 8.785) 9.736 5.851 ( -16.407 23.601 -0.866) 28.757 7.756 ( 1.156 -3.037 1.932) 3.780 9.394 ( -6.670 -4.484 -0.576) 8.057 9.437 ( 10.098 -0.991 -0.245) 10.149 10.178 ( 9.811 -3.272 -1.154) 10.406 10.501 ( -11.029 16.411 2.513) 19.932 11.252 ( -7.232 2.990 -3.154) 8.437 14.501 ( 9.299 -10.211 2.089) 13.968 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( -6.815 1.179 -1.551) 7.088 4.098 ( -13.793 8.555 -7.563) 17.906 4.881 ( 10.410 1.696 -7.913) 13.186 5.326 ( 0.184 -5.679 12.179) 13.439 5.715 ( -23.719 19.331 -1.818) 30.652 7.695 ( -4.718 -4.851 2.019) 7.062 9.184 ( -8.706 -9.201 0.395) 12.673 9.469 ( -3.306 -4.112 0.811) 5.338 10.379 ( 14.156 3.712 -5.651) 15.688 10.568 ( -4.072 18.191 4.080) 19.082 11.170 ( -2.326 0.314 -2.393) 3.352 14.611 ( 12.778 -7.482 2.115) 14.958 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( -9.709 -0.425 -0.144) 9.719 3.882 ( -17.507 6.239 -4.039) 19.019 4.967 ( 1.884 -2.873 -8.511) 9.178 5.345 ( -9.157 6.087 8.641) 13.985 5.444 ( -13.435 5.187 -1.018) 14.437 7.499 ( -13.859 -5.024 2.202) 14.905 8.955 ( -7.526 -8.064 1.159) 11.091 9.296 ( -11.582 -3.422 1.304) 12.147 10.567 ( -7.067 13.493 -1.230) 15.281 10.741 ( 15.891 3.777 -10.746) 19.552 11.236 ( 10.542 0.680 6.414) 12.359 14.795 ( 14.957 -4.810 0.777) 15.731 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -13.986 -0.498 1.603) 14.087 3.608 ( -18.638 2.896 -1.006) 18.889 4.842 ( -10.727 -4.262 -5.673) 12.862 4.984 ( -28.308 6.956 2.992) 29.303 5.548 ( 9.594 0.274 -1.506) 9.715 7.121 ( -25.884 -4.567 2.804) 26.433 8.793 ( -5.804 -3.381 1.674) 6.923 9.056 ( -11.582 -2.803 0.397) 11.922 10.483 ( -10.084 5.258 -0.833) 11.403 11.020 ( 16.965 2.509 -19.173) 25.724 11.572 ( 20.685 3.794 15.277) 25.993 15.015 ( 15.347 -3.643 -2.184) 15.924 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 0.000 15.502 13.734) 20.710 2.903 ( 0.000 17.182 7.870) 18.898 3.574 ( 0.000 15.624 -6.696) 16.998 4.374 ( 0.000 19.282 3.980) 19.688 5.126 ( 0.000 27.915 -10.074) 29.677 6.075 ( 0.000 22.395 0.366) 22.398 8.285 ( 0.000 13.544 0.744) 13.564 9.240 ( -0.000 -9.949 1.194) 10.020 10.245 ( -0.000 -4.782 -0.438) 4.802 10.859 ( -0.000 -3.800 -19.603) 19.968 13.010 ( -0.000 -30.123 16.260) 34.232 15.350 ( 0.000 0.665 -15.018) 15.033 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 1.111 13.522 9.032) 16.299 3.127 ( 6.393 11.412 5.785) 14.302 3.834 ( 11.848 20.080 -4.589) 23.762 4.558 ( 1.833 12.430 0.152) 12.565 5.319 ( 1.978 14.450 -9.429) 17.367 6.396 ( 3.789 33.330 3.118) 33.689 8.469 ( 5.130 14.282 0.940) 15.204 9.122 ( -5.070 -5.272 0.253) 7.319 10.223 ( 2.360 -2.692 -0.211) 3.586 10.745 ( 0.140 -8.262 -16.450) 18.408 12.736 ( -2.610 -30.678 14.933) 34.219 15.255 ( -5.808 -0.890 -12.785) 14.070 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 4.155 11.542 5.017) 13.253 3.369 ( 8.533 8.674 3.616) 12.693 4.306 ( 17.913 22.833 -2.641) 29.141 4.676 ( 3.395 4.371 -3.526) 6.562 5.444 ( 1.542 10.147 -4.404) 11.168 6.830 ( 7.202 31.216 2.951) 32.172 8.737 ( 8.079 14.318 2.224) 16.590 8.985 ( -6.761 0.495 -1.299) 6.902 10.282 ( 5.475 1.202 -0.586) 5.636 10.594 ( -1.172 -10.744 -13.263) 17.109 12.414 ( -4.901 -30.043 12.729) 32.995 15.060 ( -10.301 -2.793 -10.153) 14.731 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( 6.300 8.982 2.259) 11.201 3.617 ( 9.256 9.412 1.574) 13.294 4.649 ( 1.647 4.093 -2.584) 5.113 4.920 ( 18.042 18.520 -5.307) 26.394 5.557 ( 2.128 8.381 1.622) 8.797 7.237 ( 7.782 22.295 2.163) 23.713 8.851 ( -4.451 3.515 0.310) 5.680 9.084 ( 8.198 15.181 1.292) 17.302 10.368 ( -1.470 -3.773 -8.946) 9.819 10.472 ( 6.059 -1.166 -3.278) 6.987 12.064 ( -6.878 -27.100 9.807) 29.629 14.802 ( -11.529 -5.113 -7.095) 14.470 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.600 ( 6.106 6.109 0.047) 8.637 3.879 ( 8.998 11.578 -0.771) 14.684 4.653 ( 0.300 -1.704 -2.676) 3.186 5.306 ( 5.316 13.662 -3.987) 15.193 5.756 ( 8.864 14.889 4.688) 17.951 7.524 ( 5.169 11.376 1.658) 12.605 8.862 ( 1.505 5.464 -0.197) 5.671 9.363 ( 6.362 12.849 2.751) 14.599 10.189 ( -4.540 -9.316 -8.888) 13.653 10.654 ( 6.381 9.615 -1.741) 11.671 11.727 ( -7.480 -20.199 6.483) 22.493 14.542 ( -8.659 -7.845 -3.918) 12.324 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( 3.760 4.079 -1.739) 5.814 4.136 ( 7.205 13.109 -3.725) 15.415 4.632 ( 0.252 -1.511 -1.397) 2.073 5.372 ( -2.084 0.168 2.027) 2.912 6.115 ( 4.709 26.017 1.251) 26.469 7.649 ( 2.602 0.398 1.597) 3.078 9.009 ( 8.765 5.521 -0.131) 10.359 9.546 ( 1.305 7.572 2.456) 8.067 10.009 ( -1.724 -9.623 -5.774) 11.354 10.806 ( -1.852 12.112 -0.539) 12.265 11.485 ( -5.143 -8.548 2.078) 10.190 14.347 ( -2.354 -10.123 -1.184) 10.461 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.791 ( -0.265 2.573 -2.417) 3.541 4.343 ( 2.230 14.311 -7.115) 16.137 4.634 ( 1.696 0.080 -0.754) 1.858 5.309 ( -1.337 -7.984 6.489) 10.375 6.359 ( -9.517 29.254 -0.836) 30.775 7.662 ( 3.604 -7.917 1.937) 8.911 9.219 ( 9.480 1.321 -0.584) 9.590 9.538 ( -6.983 1.646 0.389) 7.185 9.963 ( 8.050 -7.207 -1.628) 10.927 10.839 ( -7.960 13.990 2.597) 16.304 11.373 ( -5.109 0.410 -2.673) 5.780 14.268 ( 5.252 -10.262 0.483) 11.538 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.764 ( -4.406 1.550 -1.442) 4.889 4.397 ( -10.161 13.532 -7.207) 18.393 4.712 ( 7.926 0.642 -4.554) 9.163 5.244 ( 2.402 -10.806 9.928) 14.870 6.336 ( -22.999 23.012 -1.327) 32.562 7.649 ( 3.617 -8.577 1.959) 9.512 9.222 ( -5.582 -7.261 -0.477) 9.171 9.487 ( -0.946 2.069 0.887) 2.442 10.107 ( 14.735 -2.543 -2.682) 15.191 10.880 ( -5.799 17.053 4.972) 18.686 11.247 ( -8.467 -1.106 -4.490) 9.647 14.325 ( 11.338 -7.784 0.643) 13.768 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( -7.629 1.290 0.426) 7.749 4.239 ( -17.394 7.814 -4.605) 19.616 4.840 ( 7.337 0.454 -8.987) 11.611 5.260 ( 6.169 -6.977 10.291) 13.879 6.041 ( -29.914 11.099 -0.555) 31.912 7.606 ( -2.871 -4.311 1.628) 5.429 9.021 ( -8.541 -5.333 0.257) 10.073 9.439 ( -6.589 -0.834 1.662) 6.847 10.377 ( 18.619 1.212 -7.669) 20.173 10.947 ( -13.729 12.600 1.259) 18.677 11.108 ( 4.593 -3.096 2.774) 6.195 14.490 ( 14.565 -4.627 -0.671) 15.297 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( -10.484 1.692 2.186) 10.842 3.958 ( -19.526 2.539 -2.196) 19.812 4.879 ( -0.304 -0.107 -7.920) 7.927 5.375 ( 9.400 -2.714 4.703) 10.856 5.567 ( -31.635 1.578 0.781) 31.684 7.445 ( -14.046 -1.163 1.715) 14.199 8.861 ( -6.256 -0.842 0.271) 6.318 9.266 ( -12.647 -0.934 1.458) 12.765 10.673 ( 12.480 -2.293 -13.646) 18.634 10.726 ( -7.790 2.405 -1.881) 8.367 11.342 ( 14.777 3.797 12.339) 19.622 14.707 ( 15.256 -2.815 -3.148) 15.830 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 0.000 11.159 7.230) 13.296 3.174 ( 0.000 7.896 3.081) 8.476 3.905 ( 0.000 19.770 -3.327) 20.048 4.640 ( 0.000 7.147 -3.848) 8.118 5.415 ( 0.000 12.778 -5.213) 13.800 6.713 ( 0.000 34.210 2.590) 34.308 8.559 ( 0.000 13.362 0.007) 13.362 9.142 ( 0.000 0.175 -0.191) 0.259 10.174 ( -0.000 -2.128 0.229) 2.141 10.608 ( -0.000 -9.787 -13.075) 16.332 12.495 ( -0.000 -31.190 12.719) 33.683 15.258 ( -0.000 -1.529 -10.789) 10.897 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 2.176 8.035 2.288) 8.633 3.325 ( 5.501 6.795 4.049) 9.635 4.214 ( 14.006 19.367 -2.096) 23.992 4.669 ( 0.211 1.878 -5.729) 6.033 5.530 ( 0.187 11.603 -1.452) 11.695 7.059 ( 2.561 28.899 1.555) 29.054 8.744 ( 6.532 12.631 0.218) 14.221 9.120 ( -5.454 5.767 -1.504) 8.079 10.199 ( 4.161 0.209 0.522) 4.199 10.469 ( -0.574 -10.165 -9.506) 13.929 12.208 ( -1.963 -30.582 10.258) 32.316 15.152 ( -6.433 -2.477 -8.766) 11.152 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 4.450 7.072 1.333) 8.461 3.525 ( 9.830 5.615 2.568) 11.608 4.647 ( 1.453 2.356 -3.572) 4.519 4.728 ( 20.984 15.554 -3.393) 26.340 5.629 ( -0.277 8.528 1.073) 8.600 7.365 ( 3.757 20.913 0.762) 21.262 8.981 ( 1.785 9.596 1.449) 9.868 9.109 ( 0.426 12.182 -2.663) 12.477 10.309 ( 1.727 -2.363 -6.296) 6.943 10.342 ( 4.747 -3.679 -0.477) 6.025 11.901 ( -3.081 -28.121 7.975) 29.392 14.942 ( -11.491 -3.536 -6.749) 13.787 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 5.344 5.033 0.740) 7.378 3.785 ( 12.348 6.786 1.152) 14.137 4.628 ( -0.183 -1.385 -2.637) 2.984 5.266 ( 17.621 16.834 -3.813) 24.666 5.722 ( 5.307 5.726 3.754) 8.663 7.589 ( 2.357 12.627 0.514) 12.855 8.985 ( -6.353 9.954 -0.736) 11.831 9.356 ( 8.754 10.626 0.787) 13.789 10.166 ( -4.703 -6.349 -6.172) 10.026 10.555 ( 12.649 5.229 -0.491) 13.696 11.617 ( -2.844 -22.661 6.339) 23.702 14.664 ( -13.521 -4.723 -4.685) 15.069 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.690 ( 4.952 3.275 -0.170) 5.940 4.074 ( 12.148 8.520 -0.354) 14.842 4.608 ( 0.184 -1.316 -0.621) 1.467 5.448 ( -3.997 3.656 -1.525) 5.628 6.098 ( 21.569 15.289 2.171) 26.527 7.675 ( -2.568 3.731 0.447) 4.551 9.017 ( -0.677 9.878 -0.419) 9.910 9.555 ( 5.347 4.103 1.855) 6.991 9.992 ( -7.027 -5.131 -4.692) 9.885 10.834 ( 10.887 8.614 -2.207) 14.057 11.422 ( -0.233 -13.814 5.060) 14.713 14.381 ( -11.362 -5.934 -2.589) 13.077 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.784 ( 2.958 2.235 -0.957) 3.829 4.350 ( 9.303 10.212 -2.297) 14.003 4.613 ( 1.521 -0.235 0.662) 1.675 5.331 ( -7.577 -4.690 1.165) 8.987 6.609 ( 14.014 21.839 0.240) 25.950 7.578 ( -5.961 -7.549 0.654) 9.641 9.141 ( 4.305 7.009 -0.095) 8.226 9.646 ( 1.137 1.786 1.711) 2.722 9.809 ( -4.102 -7.170 -2.954) 8.773 11.021 ( 0.819 8.649 -0.486) 8.701 11.380 ( 3.019 -3.440 1.305) 4.759 14.172 ( -4.565 -6.260 -0.769) 7.786 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.823 ( -0.650 1.940 -0.630) 2.141 4.562 ( 5.724 8.746 -5.006) 11.590 4.656 ( -0.724 5.197 -0.693) 5.293 5.146 ( -3.814 -11.842 5.072) 13.435 6.895 ( -13.024 24.125 -1.171) 27.441 7.420 ( 7.130 -16.861 1.598) 18.376 9.234 ( 0.069 0.450 -0.292) 0.541 9.581 ( -7.491 2.170 1.120) 7.879 9.831 ( 12.306 -4.061 -1.803) 13.083 11.065 ( -2.449 4.586 2.110) 5.611 11.378 ( -4.446 2.217 -1.799) 5.284 14.118 ( 4.648 -4.327 -0.071) 6.350 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.797 ( -4.560 2.010 0.810) 5.048 4.580 ( -14.554 5.068 -3.692) 15.847 4.706 ( 6.039 5.263 -7.804) 11.183 5.088 ( 7.737 -10.117 9.384) 15.820 6.611 ( -28.503 1.506 -0.346) 28.544 7.522 ( 8.973 -1.907 1.028) 9.231 9.147 ( -8.314 0.278 -0.058) 8.319 9.519 ( -3.041 -0.024 1.999) 3.639 10.058 ( 16.499 0.435 -4.586) 17.130 11.036 ( -1.631 -7.523 0.383) 7.707 11.275 ( -10.386 8.206 1.650) 13.339 14.231 ( 11.143 -1.029 -0.979) 11.233 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( -7.594 1.818 2.202) 8.113 4.297 ( -18.831 0.390 -2.262) 18.970 4.821 ( 5.074 3.497 -9.822) 11.595 5.202 ( 9.046 -4.166 7.900) 12.712 6.066 ( -29.588 -8.846 0.762) 30.892 7.589 ( -2.441 2.006 0.927) 3.292 9.016 ( -9.207 4.968 -0.052) 10.462 9.441 ( -7.293 -0.390 1.866) 7.538 10.340 ( 17.325 0.573 -8.999) 19.531 10.835 ( -7.108 -13.131 -0.855) 14.956 11.284 ( 0.835 6.367 7.343) 9.755 14.441 ( 13.198 1.176 -2.800) 13.542 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 0.000 4.255 0.699) 4.312 3.368 ( 0.000 6.485 3.484) 7.361 4.258 ( 0.000 16.611 -1.319) 16.663 4.656 ( 0.000 -0.259 -5.853) 5.858 5.642 ( 0.000 10.947 0.181) 10.948 7.297 ( 0.000 22.712 0.045) 22.712 8.793 ( 0.000 10.248 -0.702) 10.272 9.252 ( 0.000 11.420 -2.085) 11.609 10.168 ( 0.000 1.066 0.789) 1.326 10.357 ( -0.000 -8.892 -5.008) 10.205 11.952 ( -0.000 -29.828 7.422) 30.738 15.159 ( -0.000 -2.513 -7.170) 7.597 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 5.106 4.038 -0.119) 6.511 3.460 ( 3.670 4.326 3.794) 6.824 4.539 ( 15.129 14.151 -1.137) 20.747 4.633 ( -0.020 -0.938 -4.165) 4.269 5.730 ( -1.159 8.082 0.601) 8.187 7.502 ( 1.794 15.968 -0.824) 16.089 8.955 ( 7.986 8.710 -0.289) 11.820 9.317 ( -6.446 14.531 -2.920) 16.162 10.230 ( 4.941 2.017 0.780) 5.393 10.261 ( -0.916 -6.812 -1.872) 7.124 11.679 ( -0.863 -27.198 5.023) 27.672 15.054 ( -6.909 -2.583 -5.693) 9.318 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.518 ( 5.023 3.756 0.565) 6.297 3.631 ( 10.906 3.357 3.448) 11.921 4.613 ( -0.101 -0.737 -2.167) 2.291 5.018 ( 24.656 12.570 -1.537) 27.718 5.760 ( -2.292 3.737 0.811) 4.458 7.666 ( 2.289 10.369 -0.760) 10.646 9.176 ( 3.305 8.724 0.830) 9.366 9.341 ( -1.890 12.422 -3.317) 12.995 10.178 ( -2.741 -2.514 -1.574) 4.039 10.372 ( 10.153 -0.051 0.906) 10.194 11.439 ( -0.217 -21.340 3.793) 21.676 14.845 ( -12.457 -2.475 -4.299) 13.408 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 4.822 2.359 1.400) 5.548 3.901 ( 14.731 3.925 2.455) 15.441 4.601 ( -0.327 -0.168 -0.270) 0.456 5.503 ( 9.806 9.553 -4.420) 14.386 5.812 ( 14.629 1.085 3.078) 14.989 7.760 ( -0.916 5.278 -0.534) 5.383 9.204 ( -7.618 11.790 -0.362) 14.042 9.476 ( 6.111 0.787 -0.237) 6.166 10.093 ( -6.896 1.608 -1.870) 7.324 10.604 ( 18.012 -0.598 -0.982) 18.049 11.293 ( 1.417 -12.464 4.043) 13.180 14.570 ( -15.138 -2.095 -2.819) 15.540 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 4.430 1.290 0.940) 4.709 4.210 ( 15.188 4.601 2.103) 16.008 4.597 ( -0.104 0.096 1.133) 1.141 5.459 ( -9.668 -0.496 -3.351) 10.244 6.325 ( 30.969 5.667 1.315) 31.511 7.704 ( -9.138 0.055 -0.765) 9.170 9.206 ( -3.282 7.634 0.204) 8.312 9.542 ( 5.210 -4.110 0.065) 6.636 9.950 ( -10.991 1.885 -0.640) 11.170 10.934 ( 16.934 3.727 -3.925) 17.778 11.259 ( 3.705 -6.609 5.002) 9.079 14.295 ( -13.468 -1.106 -1.209) 13.567 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( 3.096 0.849 0.265) 3.221 4.501 ( 10.467 5.636 1.316) 11.961 4.621 ( 4.347 -0.725 2.561) 5.097 5.229 ( -12.815 -3.971 -3.380) 13.835 6.875 ( 27.607 0.278 0.847) 27.622 7.446 ( -18.771 -1.365 -1.051) 18.850 9.228 ( 0.880 0.139 0.260) 0.928 9.611 ( 6.688 -3.841 -1.921) 7.948 9.789 ( -10.122 5.908 2.348) 11.953 11.105 ( 0.399 0.723 -1.895) 2.067 11.343 ( 8.888 -2.275 1.643) 9.320 14.116 ( -6.370 1.254 0.052) 6.493 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.854 ( 0.198 0.728 0.328) 0.823 4.609 ( 2.000 1.786 -0.631) 2.754 4.821 ( 12.323 2.273 4.687) 13.379 4.939 ( -14.056 -4.804 -4.125) 15.416 6.927 ( -13.527 -23.996 0.215) 27.547 7.374 ( 8.193 15.218 -0.319) 17.286 9.240 ( 0.242 0.251 0.031) 0.350 9.569 ( -3.659 -3.737 0.035) 5.230 9.862 ( 6.838 7.953 0.101) 10.489 11.015 ( -5.094 -8.547 -0.286) 9.954 11.421 ( -0.063 0.742 0.249) 0.785 14.119 ( 3.070 4.626 0.011) 5.552 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.830 ( -3.683 -0.266 1.032) 3.834 4.573 ( -13.208 -1.261 0.890) 13.298 4.732 ( 2.897 -1.712 -8.282) 8.940 5.049 ( 9.195 2.642 5.743) 11.159 6.369 ( -22.560 -22.368 0.280) 31.770 7.608 ( 4.464 7.161 0.291) 8.444 9.233 ( -6.123 8.143 -0.025) 10.188 9.498 ( -0.897 -3.321 1.310) 3.680 10.083 ( 11.467 4.973 -3.567) 12.998 10.783 ( -6.577 -16.045 0.015) 17.340 11.384 ( -3.905 0.015 2.084) 4.426 14.283 ( 8.613 6.771 -1.136) 11.015 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.366 ( 0.000 2.451 0.292) 2.468 3.483 ( 0.000 3.258 4.297) 5.392 4.523 ( 0.000 10.592 -0.618) 10.610 4.614 ( -0.000 -0.581 -2.533) 2.599 5.814 ( 0.000 6.024 -0.173) 6.027 7.614 ( 0.000 10.964 -1.576) 11.077 8.949 ( 0.000 6.105 -0.539) 6.129 9.527 ( 0.000 16.574 -2.863) 16.820 10.208 ( -0.000 -5.495 1.731) 5.761 10.211 ( 0.000 2.344 0.522) 2.402 11.439 ( -0.000 -24.283 2.281) 24.390 15.077 ( -0.000 -1.901 -4.629) 5.005 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.444 ( 6.120 2.037 -0.005) 6.450 3.553 ( 3.377 2.071 6.383) 7.512 4.606 ( 0.007 0.437 -0.834) 0.942 4.751 ( 15.924 7.496 -0.443) 17.605 5.838 ( -2.293 2.881 -1.148) 3.857 7.713 ( 1.662 7.118 -1.224) 7.411 9.083 ( 9.074 4.441 -0.056) 10.102 9.605 ( -8.134 15.237 -2.635) 17.472 10.167 ( 0.824 -4.534 3.495) 5.784 10.263 ( 2.819 0.932 -0.603) 3.030 11.240 ( 1.200 -17.762 0.847) 17.822 14.987 ( -7.132 -1.060 -3.678) 8.094 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.574 ( 5.625 1.341 1.088) 5.884 3.706 ( 11.030 1.030 6.243) 12.716 4.614 ( -0.336 1.590 0.927) 1.870 5.187 ( 26.842 5.192 -1.015) 27.358 5.784 ( -4.438 -0.802 -1.810) 4.860 7.794 ( 1.507 3.519 -0.782) 3.907 9.293 ( 9.623 2.329 0.240) 9.904 9.544 ( -12.078 8.984 -0.992) 15.085 10.203 ( 0.968 4.506 1.244) 4.774 10.298 ( 8.206 -7.237 -0.649) 10.961 11.155 ( 3.419 -8.351 1.219) 9.105 14.798 ( -12.811 0.172 -2.641) 13.082 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 4.612 -0.289 1.930) 5.008 3.969 ( 16.064 0.353 5.007) 16.830 4.628 ( -1.165 2.535 2.404) 3.682 5.583 ( -2.053 2.352 -6.736) 7.424 5.803 ( 26.856 -3.921 2.568) 27.262 7.804 ( -2.584 -0.222 -1.128) 2.828 9.380 ( -8.849 -3.172 0.304) 9.405 9.432 ( 3.186 3.830 0.113) 4.984 10.151 ( -8.550 3.013 0.638) 9.087 10.567 ( 23.460 0.519 -1.724) 23.529 11.168 ( 3.004 -3.498 2.171) 5.096 14.555 ( -15.528 1.999 -1.303) 15.711 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( 4.735 -1.515 0.767) 5.030 4.271 ( 17.426 -1.550 5.462) 18.328 4.636 ( -2.107 2.945 3.275) 4.882 5.405 ( -11.454 -1.319 -6.561) 13.266 6.313 ( 31.908 -7.832 0.912) 32.868 7.685 ( -9.441 -1.181 -1.650) 9.657 9.213 ( -3.456 -7.489 0.434) 8.259 9.510 ( 3.291 1.130 -1.429) 3.762 10.041 ( -9.839 7.037 3.759) 12.667 10.979 ( 20.227 4.307 -4.657) 21.198 11.167 ( 1.018 -6.279 3.423) 7.223 14.329 ( -13.581 4.814 0.252) 14.411 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 4.309 -2.202 -0.603) 4.876 4.534 ( 14.646 -9.121 5.919) 18.240 4.648 ( -0.805 5.486 4.360) 7.053 5.170 ( -12.645 2.120 -7.831) 15.024 6.608 ( 15.819 -23.373 0.309) 28.225 7.533 ( -6.689 6.597 -1.315) 9.487 9.146 ( 4.414 -6.920 0.104) 8.209 9.541 ( 1.475 -2.566 -2.707) 4.011 10.008 ( -6.872 12.844 5.806) 15.681 11.038 ( -6.510 -7.017 -0.082) 9.572 11.294 ( 12.656 -1.641 -2.295) 12.966 14.220 ( -6.447 8.421 1.302) 10.685 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 0.000 0.904 0.581) 1.075 3.566 ( 0.000 1.108 8.322) 8.396 4.619 ( 0.000 1.932 1.236) 2.293 4.662 ( 0.000 3.756 -0.369) 3.774 5.871 ( 0.000 0.772 -2.663) 2.773 7.751 ( 0.000 4.217 -0.710) 4.276 9.032 ( 0.000 2.466 0.435) 2.504 9.824 ( 0.000 14.460 -1.489) 14.536 10.114 ( -0.000 -7.793 3.588) 8.579 10.246 ( 0.000 0.684 -0.474) 0.833 11.082 ( -0.000 -10.479 -1.046) 10.531 15.033 ( 0.000 0.202 -3.158) 3.165 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 6.356 0.138 0.300) 6.365 3.621 ( 2.981 -0.723 9.695) 10.169 4.652 ( -0.267 3.769 3.140) 4.913 4.827 ( 16.526 0.405 -0.142) 16.532 5.831 ( -2.930 -1.701 -4.071) 5.296 7.788 ( 1.267 0.878 -0.330) 1.577 9.132 ( 8.721 0.315 0.529) 8.743 9.847 ( -12.076 7.346 1.640) 14.230 10.049 ( 5.133 -7.576 0.237) 9.155 10.281 ( 1.793 1.495 0.017) 2.334 11.046 ( 2.746 -1.172 -1.156) 3.201 14.972 ( -7.026 1.729 -2.577) 7.681 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( 5.810 -1.576 0.604) 6.050 3.740 ( 10.545 -2.698 8.277) 13.674 4.698 ( -1.178 5.132 5.223) 7.417 5.204 ( 27.976 -3.068 -0.361) 28.146 5.715 ( -5.696 -3.643 -5.259) 8.566 7.795 ( 0.714 -3.238 -0.923) 3.441 9.269 ( 7.096 -4.484 -0.766) 8.429 9.624 ( -12.642 -3.791 2.388) 13.412 10.175 ( 10.368 -0.256 -0.250) 10.374 10.336 ( 2.729 6.452 1.591) 7.184 11.111 ( 2.803 3.175 -0.843) 4.318 14.822 ( -12.390 3.688 -1.624) 13.029 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 4.647 -3.926 0.695) 6.123 3.964 ( 16.105 -4.859 5.966) 17.849 4.738 ( -2.675 5.415 6.748) 9.056 5.533 ( -7.330 -1.618 -8.675) 11.472 5.677 ( 30.998 -10.585 1.644) 32.797 7.734 ( -1.828 -6.225 -1.828) 6.741 9.196 ( -4.764 -11.332 -0.745) 12.315 9.480 ( -0.308 -3.456 -0.271) 3.481 10.258 ( -3.958 8.162 6.400) 11.102 10.619 ( 20.635 3.315 -1.214) 20.934 11.163 ( -0.848 3.508 -1.527) 3.919 14.633 ( -14.504 6.265 -0.124) 15.800 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( 5.508 -5.099 -0.899) 7.559 4.192 ( 15.845 -9.892 5.078) 19.357 4.760 ( -2.995 5.377 7.607) 9.785 5.348 ( -9.314 0.894 -8.067) 12.354 6.038 ( 24.906 -19.748 -0.001) 31.785 7.623 ( -2.675 -4.717 -1.838) 5.726 9.023 ( -0.609 -9.937 -0.196) 9.958 9.458 ( 2.802 -5.980 -2.298) 6.992 10.295 ( -7.297 14.119 9.273) 18.400 10.940 ( 14.154 -9.816 2.110) 17.353 11.158 ( -1.541 9.011 -6.959) 11.489 14.479 ( -11.946 9.428 1.643) 15.307 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.407 ( -0.000 -0.891 0.807) 1.203 3.614 ( -0.000 -2.910 10.134) 10.544 4.666 ( -0.000 -3.145 -0.202) 3.152 4.718 ( 0.000 5.832 6.135) 8.465 5.815 ( -0.000 -3.642 -5.614) 6.692 7.768 ( -0.000 -2.787 -0.225) 2.796 9.051 ( -0.000 -1.284 1.258) 1.797 9.890 ( -0.000 -15.769 0.190) 15.771 10.094 ( 0.000 12.995 4.363) 13.708 10.227 ( -0.000 -1.850 -1.296) 2.259 11.051 ( 0.000 7.598 -2.584) 8.025 15.049 ( 0.000 3.289 -2.526) 4.147 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( 5.848 -2.186 0.215) 6.247 3.621 ( 2.696 -5.907 9.139) 11.211 4.762 ( 15.631 -5.786 0.297) 16.670 4.801 ( 0.091 6.019 8.428) 10.357 5.727 ( -2.790 -4.948 -6.934) 8.964 7.724 ( 0.844 -7.605 -1.098) 7.730 9.096 ( 6.676 -4.531 0.492) 8.083 9.680 ( -5.274 -17.275 0.179) 18.063 10.132 ( -1.063 7.474 0.574) 7.571 10.342 ( 5.082 5.871 5.620) 9.586 11.151 ( 0.578 11.889 -3.671) 12.456 15.025 ( -6.627 5.081 -2.118) 8.615 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 4.650 -5.408 -0.147) 7.134 3.687 ( 10.776 -7.606 6.454) 14.684 4.864 ( -2.338 5.382 10.001) 11.595 5.062 ( 26.782 -11.087 0.146) 28.986 5.592 ( -4.790 -3.758 -7.664) 9.788 7.637 ( 1.177 -12.203 -2.214) 12.458 9.116 ( 1.896 -9.793 -1.692) 10.117 9.428 ( -3.700 -14.070 0.338) 14.553 10.283 ( 10.363 5.582 0.794) 11.797 10.499 ( 1.405 9.697 9.853) 13.895 11.255 ( -1.571 12.799 -5.287) 13.937 14.922 ( -11.344 7.195 -0.997) 13.471 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 4.936 -7.890 -0.781) 9.339 3.844 ( 14.521 -10.483 3.955) 18.341 4.881 ( -3.149 1.765 9.214) 9.896 5.398 ( 27.258 -18.154 -0.039) 32.750 5.461 ( -5.863 1.240 -6.844) 9.097 7.522 ( 2.204 -14.342 -2.478) 14.721 8.966 ( -3.859 -10.372 -1.290) 11.141 9.309 ( 3.265 -11.784 -1.347) 12.302 10.537 ( 7.645 8.091 6.059) 12.673 10.641 ( 3.932 3.487 8.461) 9.961 11.310 ( -4.606 14.021 -8.567) 17.065 14.794 ( -12.693 9.627 0.933) 15.958 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.372 ( -0.000 -3.330 0.525) 3.371 3.555 ( -0.000 -9.063 7.543) 11.791 4.538 ( -0.000 -9.550 0.061) 9.550 4.906 ( 0.000 6.137 11.230) 12.797 5.673 ( -0.000 -5.517 -7.600) 9.392 7.609 ( -0.000 -13.229 -2.073) 13.390 8.987 ( -0.000 -6.277 1.081) 6.369 9.539 ( -0.000 -17.839 -2.122) 17.965 10.173 ( -0.000 -2.247 -1.140) 2.520 10.435 ( 0.000 16.623 12.906) 21.044 11.279 ( 0.000 16.707 -5.988) 17.747 15.131 ( 0.000 6.543 -2.388) 6.965 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( 4.356 -5.665 -0.433) 7.159 3.494 ( 3.450 -11.735 5.616) 13.459 4.571 ( 15.789 -12.841 0.292) 20.354 4.970 ( -1.484 1.154 10.731) 10.895 5.591 ( -1.803 -2.329 -6.275) 6.931 7.451 ( 1.313 -19.146 -3.154) 19.449 8.954 ( 3.998 -9.839 -0.351) 10.626 9.336 ( -2.962 -15.682 -1.719) 16.052 10.182 ( 4.170 0.219 -0.611) 4.220 10.666 ( 0.645 17.157 16.772) 24.002 11.419 ( -1.621 18.315 -8.389) 20.210 15.143 ( -5.993 8.137 -1.946) 10.291 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 3.512 -11.074 -0.608) 11.633 3.526 ( 11.096 -11.403 2.623) 16.125 4.774 ( 23.361 -17.736 0.641) 29.338 4.939 ( -1.766 -5.935 6.027) 8.641 5.546 ( -2.947 4.209 -1.957) 5.498 7.268 ( 3.858 -23.722 -3.472) 24.283 8.891 ( 1.067 -11.094 -2.219) 11.364 9.153 ( -0.994 -12.392 -0.642) 12.448 10.319 ( 10.988 -0.501 0.192) 11.001 10.877 ( -2.669 16.782 19.227) 25.660 11.521 ( -4.428 19.082 -11.537) 22.734 15.088 ( -9.932 9.875 -0.403) 14.011 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( -0.000 -7.137 -0.437) 7.150 3.346 ( -0.000 -15.721 3.337) 16.071 4.300 ( -0.000 -14.435 0.491) 14.443 4.980 ( -0.000 -7.914 6.677) 10.354 5.593 ( 0.000 2.823 -1.044) 3.010 7.201 ( -0.000 -26.384 -4.162) 26.710 8.813 ( -0.000 -11.614 0.134) 11.614 9.215 ( -0.000 -11.911 -2.905) 12.260 10.145 ( 0.000 0.178 -0.191) 0.261 10.903 ( 0.000 18.870 20.865) 28.132 11.600 ( 0.000 20.992 -10.929) 23.667 15.272 ( 0.000 9.102 -2.410) 9.416 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 1.205 -15.942 -0.323) 15.991 3.258 ( 6.825 -12.606 0.365) 14.340 4.276 ( 13.869 -16.792 0.552) 21.786 4.869 ( -0.506 -14.706 1.812) 14.825 5.637 ( -1.063 6.379 4.229) 7.727 6.917 ( 2.839 -32.339 -4.685) 32.800 8.716 ( 3.006 -13.449 -0.905) 13.810 9.094 ( -2.412 -6.369 -2.145) 7.140 10.193 ( 4.599 1.358 0.326) 4.806 11.143 ( -1.171 16.627 22.620) 28.097 11.754 ( -2.961 22.974 -13.128) 26.625 15.314 ( -5.148 10.111 -1.777) 11.485 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( -0.000 -22.428 -0.811) 22.442 3.065 ( -0.000 -13.811 -1.823) 13.931 3.999 ( -0.000 -15.735 0.928) 15.763 4.696 ( -0.000 -20.175 -0.972) 20.199 5.722 ( 0.000 4.252 8.403) 9.418 6.524 ( -0.000 -37.638 -6.135) 38.134 8.549 ( -0.000 -14.407 -0.413) 14.413 9.079 ( 0.000 0.359 -2.452) 2.478 10.180 ( 0.000 3.159 0.482) 3.196 11.374 ( 0.000 12.817 22.069) 25.521 11.986 ( 0.000 26.587 -12.013) 29.175 15.451 ( 0.000 10.272 -2.438) 10.557 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.000 0.000 27.449) 27.449 0.829 ( -0.000 0.000 27.449) 27.449 1.667 ( -0.000 0.000 56.358) 56.358 3.175 ( 0.000 -0.000 -5.467) 5.467 3.175 ( 0.000 -0.000 -5.467) 5.467 7.144 ( 0.000 -0.000 -18.230) 18.230 7.720 ( -0.000 0.000 1.082) 1.082 7.720 ( 0.000 0.000 1.082) 1.082 10.577 ( 0.000 -0.000 -0.826) 0.826 10.577 ( 0.000 -0.000 -0.826) 0.826 14.170 ( -0.000 0.000 4.192) 4.192 15.208 ( 0.000 -0.000 -1.573) 1.573 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 19.161 11.063 20.771) 30.347 1.397 ( 23.717 13.693 26.020) 37.776 2.098 ( 26.819 15.484 41.059) 51.428 3.181 ( 2.297 1.326 -6.038) 6.595 3.318 ( 13.239 7.644 -5.955) 16.406 6.310 ( -20.566 -11.874 0.406) 23.751 7.767 ( 3.352 1.935 1.265) 4.072 9.368 ( 68.473 39.533 -45.553) 91.249 10.436 ( -9.039 -5.219 -3.059) 10.876 10.545 ( -2.429 -1.402 -0.880) 2.939 14.144 ( -5.360 -3.094 6.679) 9.105 15.277 ( 5.199 3.002 -12.074) 13.485 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 24.971 14.417 14.196) 32.139 1.865 ( 12.713 7.340 29.292) 32.765 3.057 ( 42.625 24.610 21.059) 53.535 3.242 ( 4.886 2.821 -6.567) 8.658 3.723 ( 24.292 14.025 -6.573) 28.810 6.025 ( -6.986 -4.033 -6.392) 10.293 7.880 ( 6.189 3.573 1.263) 7.257 9.863 ( -12.065 -6.966 -3.703) 14.415 10.466 ( -4.065 -2.347 -0.867) 4.773 10.608 ( 28.314 16.347 -32.394) 46.025 13.958 ( -13.073 -7.548 13.543) 20.280 15.294 ( 0.349 0.201 -20.082) 20.086 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 14.306 8.259 20.430) 26.273 2.312 ( 23.609 13.631 10.621) 29.257 3.366 ( 8.080 4.665 -6.882) 11.593 3.931 ( 26.996 15.586 14.165) 34.240 4.444 ( 40.297 23.265 -7.428) 47.120 5.899 ( -1.990 -1.149 -7.443) 7.790 8.055 ( 8.835 5.101 1.085) 10.260 9.483 ( -17.249 -9.958 -0.288) 19.919 10.364 ( -4.502 -2.599 -0.758) 5.253 11.007 ( 13.464 7.773 -24.441) 28.967 13.656 ( -17.912 -10.341 18.972) 28.067 15.178 ( -4.118 -2.377 -21.369) 21.892 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 17.348 10.016 11.224) 22.962 2.812 ( 17.013 9.822 7.475) 21.019 3.582 ( 12.894 7.444 -5.937) 16.029 4.469 ( 18.321 10.578 9.269) 23.097 5.234 ( 24.388 14.080 -14.958) 31.887 5.986 ( 15.484 8.940 2.100) 18.003 8.284 ( 10.771 6.219 0.747) 12.459 9.139 ( -11.933 -6.890 -0.255) 13.782 10.267 ( -3.658 -2.112 -0.512) 4.255 11.088 ( 0.619 0.357 -19.391) 19.404 13.252 ( -23.158 -13.370 18.746) 32.657 15.011 ( -4.374 -2.525 -16.769) 17.513 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 18.871 10.895 4.028) 22.159 3.125 ( 9.446 5.453 3.429) 11.433 3.906 ( 16.033 9.257 -3.148) 18.779 4.818 ( 9.866 5.696 3.123) 11.813 5.437 ( 4.184 2.415 -12.466) 13.370 6.585 ( 28.779 16.616 5.170) 33.631 8.539 ( 11.221 6.479 0.224) 12.959 8.976 ( -1.624 -0.938 0.089) 1.877 10.201 ( -1.914 -1.105 -0.070) 2.211 10.957 ( -6.142 -3.546 -16.418) 17.884 12.711 ( -28.526 -16.469 12.861) 35.360 14.896 ( -2.180 -1.258 -8.385) 8.755 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.296 ( 5.447 3.145 0.757) 6.335 3.526 ( 18.351 10.595 -1.903) 21.275 4.248 ( 13.803 7.969 -1.128) 15.979 4.912 ( -0.538 -0.311 -7.757) 7.782 5.509 ( 4.180 2.413 1.286) 4.995 7.163 ( 20.024 11.561 3.077) 23.326 8.781 ( 9.737 5.621 -0.463) 11.252 9.082 ( 10.480 6.050 0.648) 12.118 10.180 ( -0.134 -0.077 0.556) 0.577 10.744 ( -7.698 -4.445 -13.276) 15.978 12.062 ( -30.358 -17.527 6.884) 35.724 14.852 ( -0.566 -0.327 -1.509) 1.644 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 3.101 1.790 -0.451) 3.609 3.901 ( 15.374 8.876 -8.355) 19.620 4.507 ( 8.914 5.147 -0.175) 10.295 4.808 ( -4.629 -2.673 -9.222) 10.659 5.604 ( 2.206 1.274 7.278) 7.711 7.527 ( 11.780 6.801 1.510) 13.686 8.968 ( 6.705 3.871 -1.110) 7.822 9.411 ( 16.950 9.786 0.740) 19.586 10.190 ( 0.587 0.339 1.165) 1.348 10.536 ( -7.628 -4.404 -9.560) 13.000 11.425 ( -25.542 -14.747 3.738) 29.729 14.850 ( 0.199 0.115 2.139) 2.151 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 1.082 0.624 -0.912) 1.546 4.112 ( 4.556 2.630 -16.351) 17.176 4.647 ( 3.235 1.868 0.275) 3.745 4.735 ( 2.396 1.383 -3.243) 4.263 5.638 ( -1.527 -0.881 8.282) 8.468 7.721 ( 4.800 2.772 0.899) 5.616 9.074 ( 2.921 1.687 -1.389) 3.648 9.809 ( 16.737 9.663 -0.373) 19.330 10.202 ( -0.178 -0.103 1.435) 1.450 10.298 ( -11.712 -6.762 -5.269) 14.513 11.009 ( -10.081 -5.820 2.209) 11.848 14.874 ( 1.150 0.664 3.789) 4.014 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.435 ( -1.008 -0.582 -0.942) 1.497 4.003 ( -7.662 -4.424 -15.263) 17.642 4.655 ( -2.551 -1.473 0.442) 2.979 4.906 ( 11.556 6.672 -5.169) 14.310 5.586 ( -5.280 -3.048 9.238) 11.068 7.740 ( -3.661 -2.114 1.519) 4.492 9.089 ( -1.343 -0.775 -1.134) 1.921 9.863 ( -15.286 -8.826 1.387) 17.706 10.187 ( -1.377 -0.795 1.190) 1.986 10.288 ( 17.056 9.847 -7.207) 20.972 10.969 ( 4.279 2.470 2.440) 5.510 14.934 ( 3.105 1.793 4.826) 6.013 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.383 ( -3.426 -1.978 -0.612) 4.003 3.729 ( -12.316 -7.110 -10.129) 17.460 4.535 ( -7.991 -4.613 0.364) 9.234 5.122 ( 6.577 3.797 -10.923) 13.304 5.494 ( -3.367 -1.944 11.128) 11.787 7.560 ( -12.797 -7.388 2.769) 15.033 9.003 ( -6.082 -3.511 -0.487) 7.040 9.491 ( -16.238 -9.375 2.696) 18.943 10.156 ( -1.302 -0.752 0.547) 1.600 10.700 ( 20.743 11.976 -13.505) 27.497 11.162 ( 10.835 6.256 5.572) 13.696 15.053 ( 5.946 3.433 5.585) 8.851 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( -6.703 -3.870 0.196) 7.742 3.385 ( -15.840 -9.145 -4.798) 18.909 4.302 ( -12.240 -7.067 -0.022) 14.134 5.029 ( -10.733 -6.197 -3.470) 12.870 5.586 ( 7.436 4.293 0.304) 8.591 7.162 ( -23.391 -13.505 3.901) 27.290 8.813 ( -10.333 -5.966 0.136) 11.932 9.186 ( -10.269 -5.929 3.074) 12.249 10.145 ( 0.452 0.261 -0.112) 0.533 11.106 ( 18.580 10.727 -21.814) 30.596 11.493 ( 16.342 9.435 11.630) 22.166 15.236 ( 8.411 4.856 5.173) 11.004 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.000 23.038 20.750) 31.005 1.449 ( 0.000 33.079 22.663) 40.098 2.212 ( 0.000 23.438 44.085) 49.929 3.170 ( 0.000 3.021 -6.515) 7.182 3.282 ( 0.000 14.085 -6.531) 15.525 6.307 ( -0.000 -24.656 -1.662) 24.712 7.752 ( 0.000 3.102 1.089) 3.287 9.217 ( 0.000 74.505 -39.002) 84.096 10.453 ( -0.000 -7.360 -3.894) 8.327 10.544 ( -0.000 -2.778 -0.884) 2.915 14.159 ( -0.000 -6.366 6.690) 9.234 15.249 ( 0.000 5.231 -10.670) 11.883 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 10.387 26.656 16.270) 32.911 1.901 ( 7.619 16.935 28.587) 34.089 2.844 ( 23.999 36.803 26.020) 51.063 3.206 ( 2.303 5.194 -6.945) 8.973 3.540 ( 12.946 18.909 -6.900) 23.933 6.054 ( -5.474 -9.528 -6.360) 12.697 7.835 ( 4.149 4.774 1.218) 6.441 9.810 ( 9.525 8.063 -14.553) 19.171 10.395 ( 3.212 13.057 -18.550) 22.911 10.508 ( 0.140 1.738 -5.165) 5.452 14.049 ( -5.284 -12.741 11.458) 17.931 15.258 ( -0.381 3.985 -17.427) 17.881 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 15.610 24.754 13.033) 32.036 2.239 ( 7.012 12.537 24.347) 28.269 3.305 ( 4.803 8.221 -7.405) 12.062 3.717 ( 25.682 25.717 17.229) 40.221 4.078 ( 28.395 28.569 -8.684) 41.206 5.898 ( -2.869 -2.864 -8.615) 9.521 7.989 ( 6.529 6.983 1.268) 9.644 9.619 ( -12.444 -14.974 -0.139) 19.470 10.395 ( -2.556 -3.381 -1.181) 4.400 10.787 ( 14.304 16.424 -26.175) 34.051 13.814 ( -9.979 -17.027 17.102) 26.115 15.182 ( -4.511 1.699 -21.026) 21.572 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 10.482 12.713 15.789) 22.820 2.726 ( 13.503 19.753 9.911) 25.898 3.493 ( 8.069 13.377 -7.101) 17.160 4.300 ( 18.385 13.786 10.038) 25.076 4.898 ( 30.359 25.370 -10.783) 41.007 5.888 ( 5.652 5.943 -3.301) 8.840 8.201 ( 8.378 9.191 1.223) 12.496 9.258 ( -12.477 -12.049 0.039) 17.346 10.312 ( -3.459 -1.784 -0.764) 3.966 10.977 ( 5.645 2.505 -20.355) 21.272 13.478 ( -15.181 -19.826 18.759) 31.232 15.030 ( -6.016 0.262 -18.766) 19.709 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 13.933 12.743 7.803) 20.430 3.088 ( 7.408 12.894 5.505) 15.857 3.807 ( 11.354 19.024 -4.254) 22.559 4.704 ( 12.631 7.710 5.373) 15.743 5.322 ( 8.806 6.366 -15.250) 18.725 6.318 ( 25.171 20.610 5.059) 32.923 8.455 ( 9.066 10.831 1.058) 14.164 9.000 ( -5.639 -6.851 0.186) 8.875 10.246 ( -3.138 0.656 -0.575) 3.257 10.929 ( -1.835 -4.773 -17.002) 17.754 13.008 ( -22.234 -21.322 14.098) 33.879 14.895 ( -3.341 -0.998 -11.055) 11.591 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 5.130 8.470 1.731) 10.053 3.353 ( 13.722 12.802 1.235) 18.808 4.183 ( 9.996 19.773 -1.483) 22.206 4.879 ( 2.579 1.166 -5.154) 5.880 5.448 ( 6.061 4.017 -2.798) 7.791 6.954 ( 22.167 17.235 3.954) 28.356 8.717 ( 7.953 11.327 0.727) 13.859 8.964 ( 6.082 -0.543 0.541) 6.130 10.216 ( -2.241 2.647 -0.182) 3.473 10.755 ( -5.008 -6.667 -14.117) 16.396 12.403 ( -27.671 -20.334 7.574) 35.164 14.828 ( 0.061 -2.763 -3.147) 4.189 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( 1.133 7.326 -0.022) 7.413 3.716 ( 14.505 10.689 -5.336) 18.792 4.497 ( 5.408 16.292 -0.219) 17.167 4.835 ( -3.470 0.037 -9.573) 10.183 5.582 ( 4.414 2.084 5.558) 7.397 7.403 ( 13.450 10.778 2.381) 17.400 8.942 ( 5.164 10.779 0.115) 11.953 9.186 ( 16.453 3.728 0.748) 16.887 10.215 ( -1.330 2.709 0.460) 3.052 10.565 ( -5.388 -5.473 -10.668) 13.145 11.753 ( -27.853 -15.952 3.482) 32.286 14.812 ( 2.180 -4.278 1.479) 5.024 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.470 ( -0.974 6.294 -0.758) 6.414 3.988 ( 9.072 6.701 -13.280) 17.423 4.649 ( 1.031 3.724 -1.101) 4.018 4.794 ( -3.425 11.649 -4.000) 12.784 5.655 ( 1.000 -1.050 7.608) 7.745 7.663 ( 7.074 5.865 1.277) 9.277 9.096 ( 1.055 9.412 -0.615) 9.491 9.549 ( 20.235 3.626 -0.002) 20.558 10.219 ( -1.350 1.088 1.633) 2.382 10.381 ( -7.284 -5.581 -6.858) 11.456 11.226 ( -19.723 -6.373 1.706) 20.797 14.823 ( 3.564 -4.793 3.433) 6.889 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( -2.953 4.990 -0.946) 5.875 4.019 ( -3.193 -0.370 -16.507) 16.817 4.742 ( 5.989 5.706 -1.174) 8.355 4.842 ( -5.169 12.381 -1.902) 13.551 5.643 ( -2.357 -3.997 8.352) 9.555 7.766 ( 0.288 1.007 1.154) 1.559 9.154 ( -3.201 6.397 -0.879) 7.207 9.908 ( 18.953 -2.323 -2.294) 19.232 10.046 ( -14.852 -6.257 0.819) 16.137 10.302 ( 1.749 4.543 -1.683) 5.151 11.009 ( -5.143 3.632 1.011) 6.377 14.865 ( 5.274 -4.055 4.232) 7.884 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( -4.975 3.212 -0.724) 5.966 3.829 ( -10.021 -3.595 -12.095) 16.113 4.759 ( -13.439 11.110 0.495) 17.444 4.975 ( 10.446 4.514 -9.023) 14.523 5.563 ( -4.145 -5.297 9.993) 12.046 7.691 ( -8.083 -3.895 2.086) 9.212 9.105 ( -7.072 1.857 -0.429) 7.325 9.664 ( -14.901 -12.662 1.713) 19.629 10.139 ( 4.748 1.753 -0.288) 5.070 10.483 ( 12.813 10.787 -8.108) 18.609 11.082 ( 6.222 5.966 3.068) 9.150 14.958 ( 7.753 -2.309 4.623) 9.317 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( -7.367 0.501 -0.062) 7.384 3.553 ( -13.925 -4.304 -6.792) 16.080 4.572 ( -18.812 7.303 0.170) 20.181 5.067 ( -0.564 -2.326 -9.409) 9.708 5.528 ( 2.518 -0.650 6.796) 7.277 7.420 ( -17.878 -8.656 3.309) 20.137 8.950 ( -10.430 -2.417 0.405) 10.714 9.316 ( -12.645 -9.808 2.366) 16.177 10.178 ( -1.710 3.983 0.217) 4.340 10.830 ( 18.072 10.445 -17.457) 27.212 11.338 ( 14.268 6.534 8.523) 17.858 15.114 ( 10.263 -0.390 4.150) 11.077 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.000 27.355 15.004) 31.200 2.118 ( 0.000 18.846 27.250) 33.132 3.135 ( 0.000 44.104 23.949) 50.186 3.211 ( 0.000 5.702 -7.690) 9.573 3.629 ( 0.000 25.961 -8.197) 27.225 5.981 ( -0.000 -8.416 -7.914) 11.552 7.859 ( 0.000 7.070 1.175) 7.167 9.754 ( -0.000 -2.359 -5.719) 6.186 10.461 ( -0.000 -4.902 -0.875) 4.979 10.498 ( 0.000 23.328 -26.542) 35.337 13.978 ( -0.000 -18.088 13.013) 22.282 15.257 ( 0.000 5.253 -18.465) 19.197 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 9.070 26.509 13.270) 31.002 2.384 ( 1.843 15.110 24.011) 28.429 3.289 ( 4.216 8.573 -8.096) 12.522 3.727 ( 12.093 30.804 17.337) 37.359 4.016 ( 13.472 38.481 -9.098) 41.774 5.878 ( -1.409 -2.788 -8.922) 9.453 7.979 ( 4.088 9.025 1.298) 9.992 9.613 ( -5.211 -15.773 0.624) 16.623 10.387 ( -1.562 -4.048 -1.458) 4.577 10.703 ( 6.667 17.740 -25.075) 31.431 13.787 ( -4.031 -22.442 16.294) 28.024 15.218 ( -3.355 4.337 -20.253) 20.982 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 4.268 13.896 17.397) 22.671 2.771 ( 10.786 22.501 11.026) 27.280 3.483 ( 8.144 15.257 -7.844) 18.990 4.204 ( 13.374 17.183 8.740) 23.463 4.709 ( 21.455 34.890 -8.309) 41.793 5.867 ( 2.733 6.859 -5.090) 8.968 8.179 ( 6.800 11.357 1.575) 13.331 9.320 ( -10.018 -14.558 0.476) 17.678 10.327 ( -1.047 -2.810 -0.886) 3.127 10.850 ( 5.148 4.332 -20.039) 21.138 13.505 ( -7.843 -25.273 17.986) 31.996 15.099 ( -6.923 2.670 -19.089) 20.480 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 8.050 13.618 10.255) 18.852 3.137 ( 6.625 15.318 6.777) 18.013 3.826 ( 11.042 23.872 -4.781) 26.734 4.587 ( 12.440 9.698 5.017) 16.552 5.194 ( 10.700 13.051 -13.783) 21.790 6.183 ( 17.273 23.494 3.307) 29.347 8.438 ( 8.112 13.677 1.929) 16.018 9.035 ( -8.089 -9.944 0.126) 12.819 10.292 ( -1.201 0.462 -0.986) 1.622 10.833 ( 0.617 -5.052 -16.439) 17.209 13.124 ( -13.456 -26.395 15.301) 33.345 14.938 ( -6.833 0.295 -13.661) 15.278 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.232 ( 10.209 11.843 3.984) 16.136 3.370 ( 3.889 13.005 2.765) 13.853 4.249 ( 9.416 25.645 -1.264) 27.348 4.813 ( 5.908 3.082 -3.587) 7.567 5.380 ( 6.418 7.237 -5.121) 10.945 6.788 ( 21.031 22.831 3.940) 31.290 8.722 ( 7.365 14.338 2.415) 16.299 8.887 ( 0.035 -3.869 -0.011) 3.869 10.286 ( -1.788 3.696 -1.316) 4.312 10.697 ( -2.173 -8.190 -13.573) 16.001 12.622 ( -20.076 -24.539 9.358) 33.057 14.803 ( -3.250 -3.280 -6.212) 7.740 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 3.295 9.158 0.079) 9.733 3.610 ( 9.237 13.202 -1.425) 16.175 4.590 ( 4.219 15.981 0.196) 16.530 4.874 ( 0.190 8.487 -8.956) 12.340 5.545 ( 5.155 5.046 3.637) 8.079 7.297 ( 14.658 14.899 2.890) 21.100 8.927 ( 9.461 1.953 2.008) 9.867 9.023 ( 6.883 12.986 0.434) 14.703 10.276 ( -2.709 2.127 -2.222) 4.099 10.552 ( -2.575 -4.117 -9.388) 10.570 12.042 ( -23.808 -19.171 4.080) 30.838 14.724 ( 0.918 -6.871 -0.552) 6.954 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( -0.795 8.823 -0.818) 8.897 3.877 ( 8.874 10.343 -8.367) 15.991 4.660 ( -0.890 -0.094 -3.121) 3.247 5.016 ( -1.897 22.622 -2.569) 22.847 5.653 ( 1.338 1.872 6.023) 6.447 7.607 ( 8.137 8.103 1.963) 11.650 9.157 ( 9.211 6.238 1.545) 11.231 9.270 ( 10.564 8.010 -0.149) 13.258 10.228 ( -0.223 -3.031 -2.656) 4.036 10.457 ( -6.586 1.866 -4.087) 7.973 11.509 ( -20.999 -9.698 0.866) 23.146 14.692 ( 4.205 -8.975 2.273) 10.168 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( -3.305 7.530 -1.126) 8.301 4.015 ( 0.732 6.166 -14.217) 15.514 4.667 ( 3.857 1.408 -1.667) 4.431 5.160 ( -7.405 21.907 0.603) 23.133 5.664 ( -2.294 -1.623 6.129) 6.742 7.761 ( 2.988 2.795 1.461) 4.344 9.292 ( -2.634 9.011 0.298) 9.393 9.549 ( 17.524 -3.498 -1.268) 17.915 10.231 ( 3.297 -1.701 0.033) 3.710 10.296 ( -12.167 3.231 -1.166) 12.643 11.189 ( -11.491 1.447 -1.016) 11.626 14.706 ( 6.858 -9.069 3.259) 11.828 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( -5.420 5.045 -0.993) 7.471 3.943 ( -8.434 3.421 -12.366) 15.354 4.808 ( 9.658 3.415 -5.680) 11.713 5.185 ( -14.721 20.299 1.720) 25.134 5.593 ( -3.693 -5.355 7.016) 9.568 7.769 ( -3.411 -1.771 1.702) 4.203 9.259 ( -7.592 2.533 0.276) 8.008 9.657 ( 1.934 -14.125 -0.862) 14.283 10.174 ( -3.964 12.710 -0.183) 13.315 10.370 ( 8.601 4.063 -1.734) 9.669 11.107 ( -2.258 4.792 -0.555) 5.327 14.773 ( 9.501 -7.489 3.370) 12.558 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( -7.510 1.422 -0.416) 7.655 3.754 ( -13.286 3.463 -7.579) 15.683 4.962 ( 6.945 0.656 -10.526) 12.628 5.059 ( -22.449 17.412 0.904) 28.425 5.514 ( -0.770 -5.479 8.693) 10.305 7.614 ( -11.622 -5.307 2.496) 13.018 9.102 ( -9.611 -3.905 1.322) 10.458 9.426 ( -10.795 -10.318 0.789) 14.954 10.288 ( -1.878 12.466 -0.249) 12.609 10.597 ( 13.685 6.964 -10.470) 18.585 11.208 ( 8.853 4.080 4.345) 10.673 14.905 ( 12.054 -5.250 2.636) 13.409 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 0.000 24.876 11.827) 27.545 2.591 ( 0.000 14.305 21.330) 25.683 3.303 ( 0.000 9.396 -8.874) 12.924 3.960 ( 0.000 24.782 10.741) 27.009 4.314 ( 0.000 47.069 -5.795) 47.424 5.851 ( 0.000 1.711 -8.091) 8.270 8.044 ( 0.000 10.876 1.120) 10.934 9.507 ( -0.000 -15.521 1.653) 15.609 10.349 ( -0.000 -5.638 -0.700) 5.682 10.725 ( 0.000 12.197 -22.830) 25.884 13.629 ( -0.000 -26.369 16.822) 31.277 15.234 ( 0.000 4.853 -19.716) 20.305 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 0.795 13.637 15.446) 20.620 2.852 ( 7.584 19.496 10.742) 23.516 3.457 ( 8.145 14.848 -8.389) 18.899 4.252 ( 5.159 19.111 5.971) 20.676 4.802 ( 7.718 36.505 -7.423) 38.043 5.908 ( 1.972 13.563 -3.779) 14.217 8.203 ( 4.505 12.613 1.205) 13.447 9.317 ( -5.604 -13.597 0.970) 14.738 10.294 ( 0.209 -4.324 -0.584) 4.368 10.761 ( 2.358 2.502 -18.323) 18.642 13.382 ( -3.130 -28.942 17.055) 33.739 15.176 ( -4.737 3.673 -18.157) 19.121 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 3.494 12.671 9.930) 16.473 3.177 ( 7.694 12.829 6.626) 16.361 3.828 ( 14.583 23.438 -5.063) 28.065 4.526 ( 7.369 10.783 2.877) 13.374 5.161 ( 6.245 17.551 -10.497) 21.383 6.217 ( 9.825 28.675 2.094) 30.384 8.449 ( 7.734 14.613 1.719) 16.623 9.079 ( -8.099 -9.397 -0.071) 12.406 10.280 ( 1.719 -1.205 -0.680) 2.206 10.720 ( 0.619 -5.490 -14.586) 15.597 13.059 ( -6.646 -30.169 15.265) 34.458 15.036 ( -8.200 1.386 -14.536) 16.746 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( 6.622 11.483 5.134) 14.215 3.421 ( 5.936 11.118 2.976) 12.950 4.316 ( 12.869 25.706 -1.286) 28.776 4.719 ( 7.317 3.536 -3.259) 8.755 5.358 ( 4.787 11.310 -4.729) 13.160 6.739 ( 14.815 27.995 2.989) 31.814 8.747 ( 7.879 14.896 2.823) 17.086 8.891 ( -4.633 -3.279 -0.763) 5.727 10.318 ( 1.651 2.812 -1.743) 3.697 10.596 ( -0.955 -9.005 -11.452) 14.600 12.656 ( -11.265 -28.906 11.081) 32.943 14.850 ( -8.119 -2.129 -9.130) 12.402 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 6.929 8.923 0.900) 11.333 3.636 ( 5.270 12.736 0.705) 13.802 4.636 ( 3.034 6.408 0.116) 7.091 4.919 ( 8.333 18.296 -7.377) 21.416 5.541 ( 4.914 9.564 2.347) 11.006 7.228 ( 13.170 18.878 2.414) 23.144 8.817 ( 2.358 -0.689 0.730) 2.562 9.073 ( 7.122 16.543 2.060) 18.129 10.311 ( -3.187 -3.255 -6.332) 7.800 10.518 ( 2.103 0.919 -4.959) 5.465 12.187 ( -15.661 -23.905 6.050) 29.212 14.675 ( -4.600 -6.491 -3.694) 8.772 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( 3.619 6.933 -1.635) 7.990 3.859 ( 5.525 13.530 -2.868) 14.893 4.655 ( -0.349 -1.242 -2.643) 2.941 5.210 ( 3.523 18.774 -1.923) 19.199 5.716 ( 1.451 12.145 3.878) 12.831 7.556 ( 8.347 9.220 1.990) 12.595 8.944 ( 11.456 1.198 0.678) 11.539 9.332 ( 3.787 14.452 2.059) 15.081 10.171 ( -1.970 -8.168 -5.950) 10.295 10.584 ( -1.618 9.169 -1.898) 9.502 11.722 ( -16.617 -14.735 1.726) 22.276 14.551 ( 0.507 -10.203 0.073) 10.216 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.705 ( -0.148 5.613 -2.486) 6.140 4.047 ( 2.314 12.820 -7.834) 15.202 4.632 ( 0.473 -0.309 -1.744) 1.833 5.379 ( 1.194 7.063 4.057) 8.233 5.835 ( -7.016 18.961 1.118) 20.248 7.724 ( 4.715 1.872 1.832) 5.394 9.197 ( 15.552 0.532 0.014) 15.561 9.465 ( -2.447 7.294 0.659) 7.721 10.097 ( 4.502 -6.714 -2.332) 8.414 10.583 ( -10.063 11.024 0.532) 14.936 11.384 ( -11.906 -3.062 -1.817) 12.427 14.496 ( 5.534 -11.777 1.827) 13.140 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( -3.481 3.569 -2.284) 5.484 4.111 ( -6.058 11.885 -9.738) 16.516 4.682 ( 5.807 1.246 -2.898) 6.609 5.434 ( 0.896 -2.444 8.655) 9.038 5.840 ( -16.514 22.333 -1.363) 27.809 7.775 ( 1.110 -2.847 1.876) 3.586 9.389 ( -4.204 -6.556 -0.558) 7.808 9.435 ( 7.763 1.442 -0.213) 7.899 10.168 ( 9.139 -3.836 -1.065) 9.968 10.525 ( -10.825 17.737 2.535) 20.934 11.222 ( -6.985 2.112 -3.228) 7.980 14.521 ( 9.742 -10.844 2.074) 14.724 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.646 ( -6.341 1.511 -1.062) 6.604 4.027 ( -12.931 10.361 -7.212) 18.071 4.807 ( 8.119 0.856 -7.673) 11.204 5.438 ( 1.214 -5.613 11.057) 12.459 5.696 ( -24.027 19.694 -2.104) 31.138 7.715 ( -4.619 -4.850 2.077) 7.012 9.189 ( -8.094 -9.370 0.676) 12.400 9.476 ( -2.974 -3.358 0.573) 4.522 10.320 ( 11.554 2.587 -6.482) 13.499 10.601 ( -5.442 19.114 2.718) 20.059 11.157 ( 0.258 0.261 -0.362) 0.515 14.626 ( 12.909 -8.418 1.181) 15.456 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 0.000 12.126 12.457) 17.385 2.979 ( 0.000 14.597 8.086) 16.687 3.506 ( 0.000 17.529 -7.617) 19.112 4.407 ( 0.000 16.295 3.074) 16.583 5.037 ( 0.000 26.313 -8.523) 27.659 6.075 ( 0.000 26.334 -0.276) 26.336 8.292 ( 0.000 13.277 0.659) 13.294 9.249 ( -0.000 -10.388 0.530) 10.402 10.242 ( -0.000 -4.571 -0.246) 4.578 10.693 ( -0.000 -2.030 -14.980) 15.117 13.163 ( -0.000 -31.198 15.884) 35.009 15.200 ( 0.000 3.179 -16.352) 16.658 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( 0.623 10.541 7.199) 12.780 3.182 ( 6.086 9.510 5.590) 12.599 3.790 ( 12.345 21.882 -4.534) 25.529 4.558 ( 1.874 9.004 0.060) 9.197 5.240 ( 1.905 17.104 -7.238) 18.670 6.419 ( 4.079 34.021 1.784) 34.311 8.477 ( 5.606 14.045 0.646) 15.137 9.120 ( -5.316 -5.812 -0.741) 7.911 10.222 ( 2.225 -2.446 -0.003) 3.307 10.612 ( 0.128 -6.683 -11.252) 13.088 12.873 ( -2.652 -32.319 13.889) 35.276 15.128 ( -5.511 1.558 -13.650) 14.803 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 3.839 9.568 4.069) 11.083 3.401 ( 7.946 7.893 2.944) 11.580 4.283 ( 18.523 23.564 -2.120) 30.048 4.644 ( 2.829 1.980 -2.717) 4.394 5.408 ( 2.296 13.464 -3.143) 14.015 6.852 ( 7.399 30.686 1.688) 31.610 8.754 ( 9.133 14.531 1.434) 17.223 8.971 ( -7.019 -0.369 -1.736) 7.240 10.275 ( 4.631 1.131 -0.752) 4.826 10.492 ( -1.150 -9.062 -8.015) 12.152 12.527 ( -5.277 -31.688 10.924) 33.931 14.962 ( -9.518 -0.917 -10.114) 13.919 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 5.633 8.005 1.732) 9.940 3.631 ( 8.538 9.021 1.353) 12.494 4.635 ( 1.303 1.648 -0.507) 2.161 4.870 ( 17.765 20.438 -4.952) 27.529 5.570 ( 3.767 10.369 1.123) 11.089 7.254 ( 7.994 21.734 1.240) 23.190 8.850 ( -4.632 2.880 -0.422) 5.470 9.096 ( 9.452 15.354 1.053) 18.061 10.289 ( -3.015 -6.548 -7.016) 10.060 10.455 ( 6.590 2.865 -0.779) 7.227 12.147 ( -7.735 -28.070 7.462) 30.057 14.738 ( -10.265 -4.150 -6.189) 12.684 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( 5.173 5.914 -0.383) 7.866 3.875 ( 7.812 11.247 -0.242) 13.696 4.634 ( 0.271 -1.504 -1.251) 1.975 5.273 ( 6.883 15.001 -2.834) 16.746 5.792 ( 8.483 14.528 2.948) 17.080 7.537 ( 5.425 10.963 1.053) 12.277 8.860 ( 1.831 5.172 -0.155) 5.489 9.386 ( 6.759 12.853 1.939) 14.651 10.120 ( -4.330 -8.562 -5.647) 11.133 10.640 ( 6.144 9.680 -1.185) 11.527 11.777 ( -8.958 -20.292 4.021) 22.543 14.511 ( -7.225 -7.724 -2.612) 10.894 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( 2.995 4.286 -1.950) 5.581 4.106 ( 5.289 13.138 -2.570) 14.394 4.621 ( 0.084 -0.690 -0.951) 1.178 5.391 ( 0.290 0.797 1.928) 2.106 6.124 ( 3.799 25.268 0.521) 25.557 7.662 ( 2.984 0.151 1.229) 3.230 9.009 ( 8.751 5.315 0.045) 10.239 9.565 ( 0.676 7.460 1.403) 7.621 9.966 ( -0.537 -8.956 -3.145) 9.507 10.803 ( -0.641 12.448 -0.021) 12.464 11.496 ( -7.441 -8.578 0.134) 11.356 14.341 ( -1.214 -10.451 -0.106) 10.522 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.769 ( -0.413 3.160 -2.271) 3.913 4.282 ( 0.066 14.740 -5.518) 15.739 4.624 ( 1.133 0.302 -1.311) 1.759 5.368 ( 0.894 -7.979 5.896) 9.961 6.350 ( -10.013 29.105 -1.132) 30.800 7.680 ( 3.884 -7.950 1.736) 9.016 9.214 ( 9.080 1.291 -0.547) 9.188 9.540 ( -7.087 1.738 0.197) 7.300 9.951 ( 8.480 -7.230 -0.791) 11.172 10.866 ( -6.843 14.669 3.121) 16.484 11.343 ( -6.477 0.219 -3.684) 7.455 14.275 ( 5.783 -10.782 0.851) 12.264 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( -4.052 2.483 -1.036) 4.863 4.330 ( -9.847 14.309 -6.813) 18.658 4.671 ( 5.455 -0.132 -4.018) 6.776 5.333 ( 3.678 -10.651 8.591) 14.169 6.323 ( -22.942 23.334 -1.255) 32.747 7.668 ( 3.615 -8.739 1.932) 9.653 9.217 ( -5.150 -6.976 -0.472) 8.684 9.497 ( -0.804 2.606 1.289) 3.017 10.076 ( 13.021 -3.535 -3.569) 13.957 10.930 ( -5.408 18.042 5.357) 19.582 11.205 ( -8.022 -1.411 -4.372) 9.245 14.329 ( 11.314 -8.554 0.203) 14.185 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 0.000 6.263 2.397) 6.706 3.226 ( 0.000 9.159 5.570) 10.720 3.874 ( 0.000 21.191 -2.955) 21.396 4.609 ( 0.000 4.379 -2.194) 4.898 5.372 ( 0.000 15.897 -3.928) 16.375 6.731 ( 0.000 33.806 1.101) 33.824 8.558 ( 0.000 13.006 -0.143) 13.007 9.132 ( -0.000 -0.360 -1.907) 1.941 10.177 ( -0.000 -1.858 0.396) 1.900 10.511 ( -0.000 -7.927 -7.053) 10.610 12.611 ( -0.000 -33.233 11.602) 35.200 15.150 ( 0.000 0.827 -11.769) 11.798 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 2.803 6.250 1.513) 7.015 3.361 ( 4.799 6.715 3.425) 8.936 4.195 ( 13.988 20.020 -1.812) 24.490 4.628 ( 0.354 0.679 -2.579) 2.690 5.515 ( 0.350 13.632 -1.619) 13.732 7.067 ( 2.744 28.146 0.166) 28.280 8.744 ( 7.104 12.408 -0.119) 14.298 9.100 ( -5.555 5.315 -2.843) 8.197 10.203 ( 3.863 0.386 0.304) 3.894 10.407 ( -0.946 -8.290 -3.547) 9.066 12.299 ( -1.927 -32.684 8.935) 33.938 15.065 ( -6.195 -0.497 -9.411) 11.278 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.422 ( 4.750 6.271 1.363) 7.984 3.550 ( 9.075 5.842 2.457) 11.069 4.624 ( 0.268 -0.595 -1.253) 1.412 4.700 ( 21.965 18.597 -2.220) 28.866 5.633 ( 0.459 9.458 -0.116) 9.470 7.367 ( 4.126 20.311 -0.300) 20.728 8.989 ( 0.267 9.086 0.197) 9.092 9.083 ( 2.964 12.220 -2.680) 12.857 10.255 ( -1.516 -4.463 -4.137) 6.272 10.354 ( 6.455 0.104 2.074) 6.781 11.970 ( -2.999 -29.775 6.522) 30.628 14.876 ( -10.981 -2.138 -6.848) 13.117 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( 4.936 5.014 1.227) 7.142 3.798 ( 11.463 7.036 1.653) 13.551 4.614 ( 0.176 -1.188 -0.481) 1.294 5.233 ( 16.742 16.657 -3.062) 23.814 5.748 ( 6.648 6.238 1.790) 9.291 7.591 ( 2.734 12.245 -0.247) 12.548 8.976 ( -6.197 10.014 -1.172) 11.834 9.361 ( 9.898 10.301 0.178) 14.287 10.122 ( -5.410 -5.127 -2.987) 8.029 10.554 ( 11.566 4.927 0.131) 12.573 11.670 ( -2.879 -23.355 4.850) 24.027 14.621 ( -12.748 -3.953 -4.272) 14.014 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 4.069 3.650 0.501) 5.490 4.076 ( 10.896 9.000 0.664) 14.148 4.607 ( 0.353 -0.780 0.343) 0.922 5.431 ( -2.178 3.506 -2.124) 4.642 6.115 ( 20.651 14.938 1.453) 25.529 7.676 ( -2.209 3.340 -0.154) 4.008 9.013 ( -0.374 9.975 -0.379) 9.990 9.568 ( 5.869 3.774 0.963) 7.044 9.959 ( -7.300 -4.192 -2.279) 8.721 10.816 ( 10.866 7.752 -1.478) 13.430 11.463 ( -1.260 -13.314 3.511) 13.827 14.359 ( -10.475 -5.655 -1.919) 12.058 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( 2.231 2.861 -0.373) 3.647 4.335 ( 7.426 10.914 -0.776) 13.223 4.618 ( 0.991 0.611 0.305) 1.203 5.337 ( -5.130 -5.950 0.332) 7.864 6.611 ( 13.185 21.986 0.099) 25.636 7.582 ( -5.204 -8.049 0.224) 9.587 9.141 ( 4.203 7.121 -0.034) 8.269 9.657 ( 1.026 1.697 0.601) 2.073 9.790 ( -3.875 -6.708 -1.020) 7.814 11.018 ( 3.114 7.829 -0.180) 8.428 11.388 ( 0.176 -2.638 0.450) 2.682 14.167 ( -3.955 -6.275 -0.269) 7.422 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( -0.660 2.695 -0.412) 2.805 4.523 ( 2.828 10.327 -3.208) 11.178 4.643 ( -2.217 4.586 -1.919) 5.443 5.192 ( -0.086 -12.753 4.470) 13.514 6.884 ( -13.299 24.068 -1.087) 27.520 7.435 ( 7.598 -16.971 1.413) 18.648 9.231 ( -0.133 0.659 -0.307) 0.739 9.594 ( -7.114 2.788 1.658) 7.818 9.811 ( 11.405 -4.587 -2.247) 12.497 11.085 ( -0.990 2.790 2.177) 3.674 11.360 ( -5.549 4.190 -1.867) 7.199 14.117 ( 4.564 -4.566 -0.067) 6.456 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 0.000 3.891 0.514) 3.925 3.402 ( 0.000 6.272 3.514) 7.189 4.246 ( 0.000 17.046 -1.095) 17.081 4.619 ( -0.000 -0.468 -1.826) 1.885 5.638 ( 0.000 11.814 -0.968) 11.854 7.291 ( 0.000 21.977 -1.202) 22.010 8.786 ( 0.000 10.123 -0.624) 10.142 9.225 ( 0.000 11.347 -3.526) 11.883 10.175 ( 0.000 1.126 0.687) 1.319 10.335 ( -0.000 -7.114 0.308) 7.121 12.017 ( -0.000 -32.064 6.237) 32.665 15.087 ( 0.000 -0.728 -7.972) 8.005 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( 5.015 3.759 0.381) 6.279 3.501 ( 3.711 5.066 4.689) 7.837 4.527 ( 14.415 13.948 -1.340) 20.103 4.611 ( 0.573 -0.251 -0.234) 0.668 5.728 ( -0.962 8.204 -1.071) 8.330 7.490 ( 2.072 15.625 -1.657) 15.849 8.952 ( 8.394 8.735 -0.366) 12.120 9.286 ( -6.552 14.624 -3.513) 16.406 10.224 ( 2.066 0.818 -0.916) 2.403 10.275 ( 1.127 -4.304 3.628) 5.741 11.722 ( -0.552 -29.164 3.955) 29.436 14.997 ( -6.746 -1.161 -6.326) 9.321 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.528 ( 5.822 3.727 1.362) 7.046 3.672 ( 9.446 4.282 5.047) 11.534 4.603 ( 0.115 -0.309 0.055) 0.334 5.005 ( 23.826 12.658 -1.174) 27.005 5.758 ( -1.422 3.428 -1.082) 3.866 7.656 ( 2.631 10.336 -1.294) 10.744 9.180 ( 2.774 9.090 0.126) 9.505 9.311 ( -0.645 12.401 -2.854) 12.741 10.172 ( -4.062 -1.235 0.262) 4.253 10.383 ( 9.736 -0.786 1.500) 9.882 11.471 ( 0.511 -22.597 3.024) 22.804 14.802 ( -12.109 -1.444 -4.614) 13.039 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.654 ( 4.541 2.560 2.390) 5.734 3.933 ( 13.613 4.735 4.162) 15.002 4.604 ( -0.163 0.334 0.921) 0.993 5.460 ( 8.814 8.544 -4.492) 13.072 5.834 ( 15.924 1.447 1.483) 16.058 7.753 ( -0.767 5.147 -1.080) 5.315 9.201 ( -7.711 12.423 -0.373) 14.626 9.473 ( 7.017 0.676 -0.283) 7.055 10.081 ( -7.482 2.135 -0.597) 7.804 10.595 ( 16.684 -1.184 -0.828) 16.746 11.330 ( 2.293 -12.923 3.649) 13.623 14.543 ( -14.608 -1.373 -2.835) 14.944 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( 3.693 1.353 1.713) 4.290 4.238 ( 14.039 5.874 3.812) 15.688 4.610 ( -0.050 0.617 1.505) 1.627 5.420 ( -8.534 -1.614 -4.897) 9.971 6.338 ( 30.513 5.614 1.333) 31.054 7.694 ( -8.989 -0.299 -1.327) 9.092 9.209 ( -3.311 8.071 0.411) 8.734 9.542 ( 5.157 -4.817 -0.103) 7.057 9.947 ( -10.775 3.142 0.089) 11.224 10.898 ( 16.356 2.686 -3.601) 16.962 11.304 ( 3.775 -6.329 4.484) 8.627 14.284 ( -12.909 -0.568 -1.101) 12.969 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 0.000 2.494 0.479) 2.539 3.538 ( 0.000 4.441 7.122) 8.393 4.517 ( 0.000 10.734 -0.579) 10.750 4.604 ( -0.000 -0.125 0.497) 0.512 5.803 ( 0.000 5.676 -2.098) 6.051 7.597 ( 0.000 11.186 -1.924) 11.351 8.946 ( 0.000 6.367 -0.151) 6.369 9.498 ( 0.000 17.011 -3.224) 17.313 10.215 ( 0.000 2.063 0.112) 2.066 10.239 ( -0.000 -4.768 4.632) 6.648 11.457 ( -0.000 -26.107 1.341) 26.142 15.028 ( -0.000 -0.696 -5.429) 5.473 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 5.950 2.008 0.551) 6.304 3.629 ( 3.149 3.267 9.634) 10.649 4.607 ( 0.034 1.295 0.886) 1.569 4.748 ( 15.674 7.456 -0.118) 17.358 5.817 ( -2.094 2.258 -3.143) 4.400 7.701 ( 1.753 7.612 -1.333) 7.924 9.084 ( 9.047 4.691 0.152) 10.192 9.581 ( -8.074 16.108 -2.180) 18.149 10.205 ( -0.034 -3.894 4.579) 6.011 10.258 ( 2.888 -0.209 -0.628) 2.963 11.245 ( 1.886 -18.947 0.208) 19.041 14.948 ( -6.968 -0.122 -4.418) 8.252 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 6.815 1.154 1.293) 7.032 3.781 ( 8.854 1.691 9.680) 13.227 4.628 ( -0.413 2.706 1.903) 3.334 5.177 ( 25.801 5.366 -1.059) 26.374 5.758 ( -3.370 -1.702 -3.547) 5.180 7.785 ( 1.403 3.742 -1.057) 4.134 9.295 ( 9.739 2.024 0.014) 9.947 9.538 ( -12.035 10.809 -0.170) 16.177 10.216 ( -2.074 4.744 1.300) 5.338 10.293 ( 9.976 -8.395 -0.485) 13.047 11.167 ( 4.548 -9.062 1.237) 10.214 14.770 ( -12.439 0.918 -3.236) 12.885 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( 4.572 -0.768 2.266) 5.160 4.029 ( 14.956 0.659 7.565) 16.774 4.654 ( -1.469 3.984 2.982) 5.189 5.513 ( -1.872 1.203 -7.923) 8.229 5.825 ( 26.772 -3.705 1.974) 27.099 7.791 ( -2.799 -0.350 -1.582) 3.234 9.384 ( -6.453 -5.089 0.454) 8.231 9.433 ( 0.527 5.790 0.166) 5.816 10.158 ( -8.200 4.587 0.886) 9.438 10.548 ( 22.103 0.198 -2.269) 22.220 11.192 ( 4.191 -4.563 2.885) 6.834 14.540 ( -14.969 2.680 -1.791) 15.312 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( 0.000 0.982 0.856) 1.303 3.665 ( 0.000 1.660 12.396) 12.507 4.638 ( 0.000 3.140 2.674) 4.124 4.658 ( 0.000 3.840 -0.432) 3.864 5.836 ( 0.000 0.041 -4.674) 4.674 7.744 ( 0.000 4.816 -0.718) 4.869 9.039 ( 0.000 2.820 0.870) 2.951 9.813 ( 0.000 15.874 -0.863) 15.897 10.152 ( -0.000 -8.931 4.416) 9.963 10.239 ( 0.000 0.337 -0.923) 0.982 11.069 ( -0.000 -11.121 -1.683) 11.248 14.999 ( 0.000 0.937 -4.087) 4.193 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.472 ( 6.060 0.044 0.719) 6.102 3.730 ( 2.599 -1.200 13.072) 13.382 4.685 ( -0.348 5.686 3.825) 6.862 4.826 ( 16.350 0.517 0.032) 16.359 5.784 ( -2.796 -2.542 -5.968) 7.064 7.783 ( 1.092 1.031 -0.613) 1.622 9.138 ( 8.244 0.413 0.734) 8.287 9.865 ( -12.100 10.712 2.125) 16.300 10.051 ( 4.393 -11.182 0.159) 12.015 10.282 ( 2.322 2.453 0.384) 3.399 11.034 ( 3.534 -1.780 -1.397) 4.197 14.943 ( -6.788 2.315 -3.564) 8.008 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( 6.589 -1.945 0.794) 6.916 3.832 ( 8.785 -3.897 10.846) 14.491 4.752 ( -1.572 7.449 5.925) 9.647 5.198 ( 27.015 -2.660 -0.972) 27.163 5.658 ( -4.776 -4.816 -6.510) 9.401 7.784 ( 0.410 -3.513 -1.397) 3.803 9.263 ( 6.461 -4.948 -0.571) 8.158 9.644 ( -12.989 -4.203 1.766) 13.766 10.173 ( 11.946 1.398 -0.025) 12.028 10.353 ( 1.071 7.759 1.843) 8.046 11.106 ( 3.873 1.661 -0.282) 4.223 14.802 ( -11.858 4.262 -2.642) 12.875 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.416 ( -0.000 -0.969 0.987) 1.383 3.725 ( -0.000 -4.576 13.098) 13.874 4.663 ( -0.000 -3.025 -0.329) 3.043 4.781 ( 0.000 8.273 6.980) 10.824 5.753 ( -0.000 -4.397 -7.519) 8.711 7.763 ( -0.000 -3.128 -0.790) 3.226 9.064 ( -0.000 -1.230 1.405) 1.868 9.886 ( -0.000 -16.470 -0.852) 16.492 10.147 ( 0.000 15.365 6.664) 16.748 10.214 ( -0.000 -1.903 -1.457) 2.397 11.024 ( 0.000 6.715 -3.046) 7.374 15.019 ( 0.000 3.738 -3.771) 5.310 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 5.455 -2.474 0.548) 6.014 3.718 ( 2.414 -8.088 11.103) 13.947 4.762 ( 16.400 -6.154 -0.201) 17.518 4.887 ( -0.980 8.843 9.368) 12.920 5.652 ( -2.733 -5.474 -8.744) 10.672 7.710 ( 0.716 -8.284 -1.744) 8.495 9.101 ( 5.834 -4.835 0.484) 7.593 9.677 ( -4.201 -18.375 -0.914) 18.871 10.136 ( -1.232 6.190 0.360) 6.322 10.406 ( 4.404 11.348 7.691) 14.399 11.115 ( 1.116 10.136 -3.762) 10.869 14.997 ( -6.268 5.525 -3.570) 9.086 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( -0.000 -3.662 0.609) 3.712 3.636 ( -0.000 -11.663 9.333) 14.937 4.538 ( -0.000 -9.346 -0.162) 9.348 5.015 ( 0.000 7.052 11.477) 13.471 5.592 ( -0.000 -4.781 -9.480) 10.617 7.586 ( -0.000 -14.089 -2.670) 14.340 8.996 ( -0.000 -6.622 0.847) 6.676 9.516 ( -0.000 -18.309 -2.597) 18.492 10.163 ( -0.000 -1.907 -0.911) 2.114 10.566 ( 0.000 20.277 14.295) 24.809 11.220 ( 0.000 14.676 -6.330) 15.983 15.100 ( 0.000 6.955 -4.226) 8.138 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.000 0.000 25.405) 25.405 1.080 ( -0.000 0.000 25.405) 25.405 2.189 ( -0.000 0.000 53.428) 53.428 3.116 ( 0.000 -0.000 -6.884) 6.884 3.116 ( 0.000 -0.000 -6.884) 6.884 6.950 ( 0.000 -0.000 -22.547) 22.547 7.731 ( -0.000 0.000 1.212) 1.212 7.731 ( 0.000 0.000 1.212) 1.212 10.568 ( 0.000 -0.000 -0.926) 0.926 10.568 ( 0.000 -0.000 -0.926) 0.926 14.213 ( -0.000 0.000 4.748) 4.748 15.191 ( 0.000 -0.000 -1.888) 1.888 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 16.034 9.257 21.132) 28.095 1.628 ( 27.506 15.880 22.930) 39.173 2.497 ( 15.856 9.155 41.984) 45.803 3.117 ( 2.266 1.308 -7.260) 7.717 3.258 ( 13.531 7.812 -6.412) 16.889 6.280 ( -21.323 -12.311 -6.655) 25.506 7.779 ( 3.364 1.942 1.203) 4.067 9.004 ( 65.760 37.967 -31.635) 82.260 10.414 ( -11.733 -6.774 -1.890) 13.679 10.536 ( -2.423 -1.399 -0.928) 2.947 14.206 ( -3.174 -1.833 6.529) 7.487 15.182 ( -0.072 -0.042 -8.284) 8.284 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 22.864 13.200 15.702) 30.717 2.144 ( 11.188 6.460 28.991) 31.740 3.174 ( 4.844 2.796 -7.711) 9.526 3.258 ( 38.837 22.422 20.127) 49.154 3.659 ( 23.073 13.321 -6.082) 27.328 5.950 ( -7.882 -4.551 -9.432) 13.107 7.891 ( 6.161 3.557 1.079) 7.196 9.820 ( -2.487 -1.436 -5.438) 6.150 10.332 ( 23.154 13.368 -25.179) 36.726 10.458 ( -4.037 -2.331 -0.884) 4.744 14.087 ( -10.036 -5.794 13.410) 17.723 15.115 ( -2.409 -1.391 -17.779) 17.995 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 22.152 12.789 12.333) 28.397 2.447 ( 10.048 5.801 22.057) 24.923 3.295 ( 8.253 4.765 -8.104) 12.510 4.063 ( 23.521 13.580 13.294) 30.239 4.366 ( 40.532 23.401 -8.626) 47.591 5.823 ( -0.156 -0.090 -8.278) 8.280 8.065 ( 8.766 5.061 0.904) 10.163 9.484 ( -17.306 -9.992 0.622) 19.993 10.356 ( -4.435 -2.561 -0.791) 5.182 10.781 ( 16.109 9.300 -22.632) 29.295 13.834 ( -16.895 -9.755 18.514) 26.895 14.977 ( -3.450 -1.992 -20.620) 21.002 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 13.571 7.835 12.919) 20.309 2.889 ( 15.005 8.663 8.632) 19.357 3.521 ( 14.126 8.156 -6.680) 17.626 4.553 ( 16.737 9.663 8.157) 20.977 5.088 ( 21.057 12.157 -15.486) 28.827 6.005 ( 20.260 11.697 1.907) 23.472 8.291 ( 10.634 6.139 0.686) 12.298 9.142 ( -11.965 -6.908 0.807) 13.840 10.261 ( -3.521 -2.033 -0.613) 4.111 10.909 ( 1.841 1.063 -17.942) 18.067 13.413 ( -24.899 -14.376 14.853) 32.361 14.866 ( -1.163 -0.672 -13.453) 13.520 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 15.839 9.145 4.976) 18.955 3.158 ( 7.795 4.500 3.462) 9.643 3.877 ( 17.233 9.950 -2.870) 20.105 4.829 ( 5.557 3.209 -1.360) 6.560 5.336 ( 9.424 5.441 -8.151) 13.596 6.632 ( 28.244 16.307 4.570) 32.932 8.542 ( 10.978 6.338 0.332) 12.681 8.983 ( -1.560 -0.901 1.352) 2.253 10.200 ( -1.674 -0.966 -0.261) 1.950 10.806 ( -5.152 -2.975 -15.116) 16.245 12.809 ( -30.599 -17.666 7.497) 36.119 14.837 ( 0.647 0.374 -3.809) 3.881 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 4.711 2.720 0.612) 5.474 3.506 ( 15.622 9.019 -2.338) 18.190 4.239 ( 14.310 8.262 -0.777) 16.542 4.829 ( -2.318 -1.338 -9.284) 9.662 5.531 ( 7.534 4.350 3.116) 9.241 7.193 ( 19.295 11.140 3.197) 22.508 8.778 ( 9.413 5.435 -0.246) 10.872 9.094 ( 10.476 6.049 1.847) 12.237 10.184 ( 0.181 0.105 0.318) 0.381 10.622 ( -6.487 -3.745 -12.300) 14.401 12.108 ( -31.338 -18.093 3.035) 36.313 14.854 ( 0.818 0.472 1.842) 2.070 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 2.805 1.619 -0.583) 3.291 3.811 ( 12.245 7.070 -10.282) 17.483 4.507 ( 9.127 5.269 0.055) 10.539 4.728 ( -3.068 -1.771 -7.558) 8.347 5.671 ( 3.131 1.808 6.682) 7.597 7.542 ( 11.230 6.484 1.754) 13.086 8.958 ( 6.439 3.718 -0.926) 7.493 9.423 ( 16.537 9.547 1.609) 19.163 10.201 ( 0.845 0.488 0.991) 1.390 10.447 ( -6.135 -3.542 -9.114) 11.543 11.452 ( -25.667 -14.819 1.989) 29.705 14.880 ( 0.661 0.382 3.979) 4.051 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 1.010 0.583 -1.033) 1.558 3.952 ( 3.066 1.770 -16.861) 17.228 4.650 ( 3.316 1.915 0.383) 3.849 4.702 ( 3.427 1.979 -3.582) 5.338 5.715 ( -1.156 -0.667 7.778) 7.892 7.729 ( 4.745 2.740 0.875) 5.549 9.061 ( 2.865 1.654 -1.386) 3.587 9.806 ( 16.031 9.255 -0.084) 18.511 10.215 ( -0.123 -0.071 1.442) 1.449 10.247 ( -10.283 -5.937 -5.416) 13.051 11.030 ( -10.290 -5.941 2.199) 12.084 14.914 ( 1.340 0.774 4.504) 4.762 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( -0.922 -0.532 -1.033) 1.484 3.859 ( -5.713 -3.298 -14.858) 16.257 4.659 ( -2.560 -1.478 0.413) 2.984 4.847 ( 9.370 5.410 -6.808) 12.783 5.674 ( -4.530 -2.615 8.948) 10.365 7.753 ( -3.166 -1.828 1.278) 3.873 9.077 ( -1.143 -0.660 -1.366) 1.900 9.876 ( -14.739 -8.509 1.295) 17.068 10.200 ( -1.572 -0.908 1.424) 2.308 10.216 ( 15.264 8.813 -7.648) 19.213 10.995 ( 4.998 2.885 3.033) 6.519 14.979 ( 3.331 1.923 4.599) 5.996 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 20.036 19.745) 28.130 1.659 ( 0.000 34.450 21.456) 40.585 2.627 ( 0.000 14.044 42.085) 44.366 3.102 ( 0.000 2.925 -7.756) 8.289 3.219 ( 0.000 14.207 -6.211) 15.506 6.257 ( -0.000 -24.305 -8.637) 25.794 7.763 ( 0.000 3.084 1.251) 3.328 8.907 ( 0.000 71.449 -26.791) 76.306 10.424 ( -0.000 -11.368 -2.528) 11.645 10.535 ( -0.000 -2.766 -0.915) 2.913 14.222 ( -0.000 -3.924 6.478) 7.573 15.163 ( 0.000 -0.556 -7.602) 7.622 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 9.478 24.521 16.372) 30.970 2.162 ( 9.643 18.231 26.366) 33.474 3.082 ( 16.970 27.682 19.984) 38.127 3.138 ( 3.917 7.718 -5.274) 10.136 3.482 ( 12.931 17.712 -3.759) 22.250 5.976 ( -6.091 -10.211 -10.013) 15.544 7.847 ( 4.131 4.811 1.184) 6.451 9.655 ( 19.834 27.869 -17.116) 38.249 10.246 ( -3.778 0.558 -11.743) 12.348 10.486 ( -1.794 -2.854 -1.312) 3.617 14.156 ( -3.486 -9.685 11.149) 15.174 15.106 ( -2.548 0.014 -14.663) 14.883 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 14.691 23.860 13.627) 31.158 2.474 ( 4.673 9.115 24.512) 26.566 3.229 ( 4.804 8.124 -8.534) 12.725 3.881 ( 21.959 21.458 16.896) 35.044 3.988 ( 29.664 30.127 -10.133) 43.477 5.809 ( -2.250 -2.041 -9.937) 10.391 8.000 ( 6.452 7.139 1.076) 9.682 9.623 ( -12.270 -14.671 1.105) 19.158 10.381 ( -0.871 -2.282 -2.327) 3.374 10.556 ( 14.528 17.624 -21.830) 31.595 13.977 ( -8.414 -15.768 17.168) 24.782 14.986 ( -5.148 1.211 -20.197) 20.878 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 7.391 9.677 16.284) 20.333 2.826 ( 11.936 18.398 11.068) 24.565 3.421 ( 8.862 14.156 -8.122) 18.571 4.388 ( 17.616 12.343 8.110) 22.988 4.792 ( 26.667 22.892 -11.209) 36.890 5.858 ( 9.844 9.559 -2.819) 14.008 8.212 ( 8.213 9.476 1.024) 12.582 9.263 ( -12.534 -12.250 1.041) 17.557 10.305 ( -3.374 -1.808 -0.769) 3.904 10.794 ( 6.752 3.811 -17.879) 19.487 13.645 ( -16.256 -20.561 16.088) 30.755 14.861 ( -3.561 1.981 -16.274) 16.776 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 10.984 10.430 8.413) 17.326 3.141 ( 5.545 11.321 5.415) 13.720 3.768 ( 12.658 20.477 -3.856) 24.380 4.739 ( 9.583 4.947 1.475) 10.885 5.194 ( 11.553 9.097 -11.198) 18.483 6.361 ( 25.830 20.894 3.989) 33.461 8.465 ( 8.751 11.229 0.961) 14.268 9.008 ( -5.486 -7.087 1.406) 9.072 10.240 ( -2.938 0.553 -0.665) 3.062 10.777 ( -1.220 -3.947 -14.882) 15.445 13.117 ( -24.741 -22.187 8.659) 34.342 14.811 ( 0.154 0.352 -6.275) 6.287 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 4.169 7.678 1.229) 8.823 3.367 ( 10.872 11.228 1.565) 15.707 4.172 ( 10.489 20.564 -0.829) 23.100 4.814 ( -0.006 -0.549 -8.178) 8.196 5.439 ( 9.860 6.651 0.557) 11.907 6.990 ( 21.730 16.822 3.602) 27.715 8.724 ( 7.419 11.864 0.734) 14.012 8.976 ( 6.274 -0.984 1.888) 6.626 10.214 ( -1.837 2.473 -0.352) 3.101 10.629 ( -4.270 -5.709 -12.419) 14.320 12.452 ( -29.265 -20.685 2.959) 35.960 14.817 ( 2.269 -2.395 0.812) 3.398 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 0.771 7.046 -0.286) 7.094 3.661 ( 11.206 9.236 -6.054) 15.733 4.497 ( 5.419 16.639 0.401) 17.504 4.748 ( -2.812 0.620 -8.546) 9.018 5.633 ( 5.808 2.854 5.139) 8.264 7.426 ( 12.888 10.445 2.477) 16.773 8.943 ( 4.422 11.315 0.188) 12.150 9.199 ( 16.499 3.062 1.906) 16.889 10.218 ( -0.707 2.417 0.210) 2.527 10.469 ( -4.503 -4.019 -9.514) 11.267 11.774 ( -28.154 -16.159 0.900) 32.474 14.837 ( 3.102 -4.428 3.744) 6.577 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( -1.124 6.238 -0.857) 6.397 3.858 ( 5.898 5.570 -13.696) 15.919 4.637 ( 1.468 2.062 -1.565) 2.975 4.764 ( -2.223 14.790 -2.245) 15.124 5.723 ( 1.625 -0.939 6.556) 6.819 7.675 ( 6.659 5.780 1.334) 8.918 9.090 ( 0.468 9.822 -0.529) 9.848 9.553 ( 19.621 2.691 0.783) 19.821 10.233 ( -0.409 1.402 1.328) 1.974 10.317 ( -6.561 -4.031 -6.400) 10.013 11.238 ( -19.418 -7.126 0.948) 20.706 14.861 ( 3.886 -5.074 4.359) 7.736 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( -2.970 5.092 -0.924) 5.967 3.866 ( -2.677 0.732 -15.425) 15.673 4.720 ( 6.356 3.774 -3.239) 8.071 4.829 ( -7.155 13.845 -0.720) 15.602 5.719 ( -1.615 -3.911 7.521) 8.630 7.776 ( 0.386 1.263 0.928) 1.614 9.146 ( -3.455 6.885 -0.861) 7.751 9.886 ( 17.606 -3.590 -2.312) 18.117 10.051 ( -13.882 -4.255 0.205) 14.521 10.289 ( 1.474 4.137 -1.033) 4.512 11.021 ( -4.291 2.789 1.332) 5.288 14.906 ( 5.494 -4.315 4.162) 8.132 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 25.556 14.401) 29.334 2.369 ( 0.000 19.196 25.618) 32.012 3.132 ( 0.000 5.465 -8.763) 10.327 3.346 ( 0.000 40.125 16.768) 43.487 3.566 ( 0.000 22.490 -1.939) 22.574 5.892 ( -0.000 -8.661 -10.726) 13.786 7.871 ( 0.000 7.040 1.292) 7.157 9.698 ( 0.000 11.414 -5.766) 12.788 10.278 ( 0.000 12.936 -19.642) 23.519 10.453 ( -0.000 -4.862 -0.814) 4.930 14.101 ( -0.000 -15.045 13.038) 19.908 15.090 ( 0.000 1.793 -16.650) 16.746 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 9.117 25.585 12.981) 30.104 2.608 ( 0.805 11.556 22.754) 25.533 3.206 ( 4.372 8.311 -9.227) 13.165 3.872 ( 9.185 20.754 6.286) 23.550 3.944 ( 14.842 44.843 0.607) 47.239 5.787 ( -1.088 -1.590 -10.053) 10.236 7.991 ( 4.136 9.048 1.240) 10.026 9.626 ( -5.375 -15.288 2.090) 16.340 10.364 ( -0.783 0.645 -4.640) 4.750 10.491 ( 6.837 15.503 -18.098) 24.791 13.943 ( -3.248 -21.080 16.574) 27.011 15.028 ( -3.742 3.730 -19.765) 20.459 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 2.568 10.276 16.101) 19.273 2.878 ( 9.991 20.864 11.512) 25.838 3.402 ( 8.841 16.125 -9.035) 20.489 4.275 ( 13.440 15.780 5.654) 21.485 4.636 ( 18.578 32.115 -6.575) 37.679 5.820 ( 5.108 10.644 -4.717) 12.714 8.192 ( 6.871 11.556 1.296) 13.506 9.328 ( -10.286 -14.940 1.072) 18.170 10.319 ( -1.026 -2.674 -0.771) 2.966 10.676 ( 5.894 6.031 -16.228) 18.289 13.671 ( -8.116 -25.824 16.665) 31.788 14.922 ( -5.723 4.285 -17.928) 19.301 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 6.133 10.910 9.573) 15.757 3.198 ( 5.095 13.045 5.929) 15.208 3.782 ( 12.449 25.820 -4.171) 28.967 4.623 ( 10.852 6.930 2.231) 13.068 5.078 ( 10.836 14.901 -10.265) 21.091 6.210 ( 18.794 24.740 2.316) 31.155 8.454 ( 8.118 14.104 1.512) 16.343 9.040 ( -7.947 -10.359 0.895) 13.087 10.283 ( -1.275 0.281 -0.886) 1.578 10.692 ( 0.835 -3.901 -13.001) 13.600 13.251 ( -15.572 -27.224 11.123) 33.277 14.823 ( -3.797 1.720 -10.164) 10.985 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 7.904 10.028 3.349) 13.200 3.394 ( 3.186 12.006 2.334) 12.638 4.241 ( 10.085 26.959 -0.237) 28.784 4.764 ( 3.187 0.634 -6.459) 7.230 5.350 ( 9.572 10.372 -1.387) 14.182 6.822 ( 21.072 22.424 3.051) 30.922 8.742 ( 7.289 15.376 1.858) 17.117 8.893 ( 0.192 -4.825 1.204) 4.977 10.274 ( -1.668 2.991 -1.240) 3.643 10.582 ( -1.950 -6.715 -10.674) 12.760 12.688 ( -22.381 -24.702 4.561) 33.644 14.763 ( -0.321 -3.085 -2.247) 3.830 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( 3.033 8.554 -0.789) 9.110 3.597 ( 6.333 12.097 -1.247) 13.711 4.596 ( 3.352 14.393 1.133) 14.822 4.791 ( 0.959 10.898 -8.190) 13.666 5.579 ( 6.613 6.033 3.391) 9.572 7.323 ( 14.491 14.515 2.535) 20.666 8.947 ( 9.707 0.872 2.154) 9.981 9.031 ( 6.277 14.075 1.088) 15.449 10.254 ( -2.096 -0.342 -2.325) 3.149 10.474 ( -2.172 -0.660 -7.036) 7.393 12.065 ( -25.039 -19.151 0.670) 31.530 14.731 ( 2.611 -7.343 2.168) 8.090 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( -0.610 8.331 -1.320) 8.457 3.798 ( 5.154 9.827 -8.046) 13.707 4.633 ( -0.609 -0.189 -2.612) 2.688 4.999 ( -1.051 24.686 -0.947) 24.726 5.703 ( 2.115 1.516 4.600) 5.285 7.625 ( 7.827 7.950 1.868) 11.312 9.170 ( 8.623 6.150 1.176) 10.657 9.274 ( 10.143 7.775 0.930) 12.814 10.203 ( 1.187 -4.349 -2.557) 5.183 10.424 ( -6.338 4.898 -2.912) 8.522 11.509 ( -21.267 -10.276 -0.791) 23.633 14.721 ( 4.905 -9.581 3.589) 11.346 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.598 ( -2.992 7.115 -1.267) 7.821 3.887 ( -1.127 7.184 -12.488) 14.451 4.648 ( 3.384 1.302 -2.165) 4.223 5.167 ( -7.731 23.758 0.919) 25.001 5.717 ( -1.093 -2.928 5.053) 5.941 7.774 ( 2.780 2.983 1.298) 4.279 9.294 ( -3.064 9.266 0.155) 9.761 9.540 ( 16.656 -4.159 -0.600) 17.178 10.227 ( 5.889 -1.673 -0.914) 6.189 10.290 ( -13.640 4.961 -0.072) 14.515 11.178 ( -11.030 0.327 -1.207) 11.101 14.738 ( 7.126 -9.640 3.467) 12.479 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 0.000 23.886 11.805) 26.644 2.784 ( 0.000 10.548 18.698) 21.468 3.213 ( 0.000 9.285 -10.131) 13.743 4.031 ( 0.000 22.810 3.247) 23.040 4.286 ( 0.000 44.855 0.859) 44.863 5.772 ( 0.000 4.333 -8.327) 9.387 8.055 ( 0.000 10.733 1.091) 10.788 9.526 ( -0.000 -16.093 2.208) 16.243 10.343 ( -0.000 -5.521 -0.532) 5.547 10.527 ( 0.000 15.113 -18.328) 23.755 13.790 ( -0.000 -25.937 16.948) 30.983 15.046 ( 0.000 5.474 -19.694) 20.441 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 1.365 11.168 12.241) 16.626 2.957 ( 5.921 16.275 10.956) 20.493 3.372 ( 8.834 16.305 -9.535) 20.852 4.299 ( 5.284 17.984 4.171) 19.203 4.740 ( 6.364 32.949 -5.427) 33.994 5.873 ( 3.009 17.834 -3.468) 18.416 8.213 ( 4.709 12.487 0.979) 13.381 9.325 ( -5.891 -14.326 0.616) 15.503 10.289 ( 0.144 -4.095 -0.339) 4.112 10.610 ( 2.704 4.551 -13.129) 14.156 13.541 ( -3.213 -29.722 16.180) 33.993 15.005 ( -4.244 5.515 -17.785) 19.098 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 2.847 9.927 7.725) 12.897 3.233 ( 6.586 10.507 5.014) 13.375 3.783 ( 15.869 25.418 -4.375) 30.283 4.550 ( 6.581 8.221 2.213) 10.761 5.074 ( 6.007 19.097 -7.671) 21.439 6.232 ( 10.763 30.014 1.118) 31.905 8.463 ( 8.102 14.658 1.151) 16.788 9.078 ( -7.979 -10.032 -0.268) 12.821 10.275 ( 1.387 -1.191 -0.454) 1.883 10.604 ( 0.525 -4.040 -9.564) 10.396 13.193 ( -7.691 -31.344 12.636) 34.659 14.904 ( -6.520 3.184 -12.795) 14.709 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( 5.537 9.687 3.837) 11.799 3.444 ( 5.397 10.276 1.807) 11.747 4.309 ( 14.287 27.078 -0.277) 30.617 4.684 ( 4.673 1.051 -3.662) 6.030 5.325 ( 6.673 14.160 -2.308) 15.823 6.761 ( 15.103 27.631 1.820) 31.542 8.769 ( 8.611 15.758 1.773) 18.044 8.886 ( -4.546 -4.549 -0.263) 6.436 10.302 ( 0.957 1.821 -1.602) 2.607 10.508 ( -0.971 -6.935 -6.905) 9.834 12.744 ( -13.190 -29.432 7.236) 33.054 14.776 ( -5.624 -1.472 -6.289) 8.564 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( 5.540 8.153 0.136) 9.858 3.642 ( 4.558 12.090 0.465) 12.929 4.641 ( 1.345 3.094 0.710) 3.448 4.856 ( 9.537 22.021 -5.520) 24.624 5.561 ( 6.214 10.718 1.808) 12.520 7.247 ( 13.372 18.438 1.626) 22.835 8.825 ( 2.752 -1.325 0.929) 3.192 9.090 ( 7.327 16.864 1.556) 18.453 10.258 ( -3.271 -5.653 -4.459) 7.908 10.482 ( 2.021 4.272 -2.818) 5.502 12.227 ( -17.556 -23.743 2.404) 29.627 14.653 ( -2.379 -6.861 -0.996) 7.329 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.601 ( 3.086 6.634 -2.132) 7.621 3.835 ( 3.255 13.206 -2.251) 13.786 4.633 ( -0.759 -0.866 -2.038) 2.340 5.201 ( 4.968 20.636 -0.009) 21.225 5.745 ( 1.607 11.155 2.109) 11.466 7.573 ( 8.496 8.954 1.535) 12.438 8.952 ( 11.554 0.648 1.064) 11.621 9.349 ( 3.475 14.534 1.446) 15.014 10.126 ( -1.157 -8.000 -3.310) 8.735 10.568 ( -1.401 10.351 -1.383) 10.537 11.726 ( -17.968 -14.719 -0.798) 23.241 14.560 ( 1.823 -10.935 1.825) 11.235 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.679 ( 0.032 5.254 -2.807) 5.957 3.981 ( -0.582 13.518 -6.021) 14.810 4.616 ( 0.551 0.046 -1.552) 1.647 5.418 ( 2.300 9.789 4.333) 10.949 5.841 ( -6.959 16.494 -0.035) 17.902 7.740 ( 4.739 1.914 1.524) 5.333 9.198 ( 15.150 -0.009 0.213) 15.152 9.470 ( -2.962 6.958 0.435) 7.575 10.082 ( 5.474 -5.974 -0.783) 8.140 10.588 ( -9.568 12.402 0.645) 15.677 11.361 ( -12.472 -3.815 -2.909) 13.363 14.517 ( 6.047 -12.510 2.499) 14.117 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 0.000 11.220 7.393) 13.437 3.060 ( 0.000 9.223 8.304) 12.410 3.432 ( 0.000 20.461 -7.680) 21.855 4.437 ( 0.000 14.188 3.469) 14.606 4.966 ( 0.000 25.229 -6.567) 26.070 6.070 ( 0.000 29.273 -0.731) 29.282 8.298 ( 0.000 12.977 0.483) 12.986 9.248 ( -0.000 -11.280 -0.745) 11.304 10.241 ( -0.000 -4.355 -0.019) 4.355 10.580 ( 0.000 0.010 -8.713) 8.713 13.309 ( -0.000 -32.536 14.708) 35.705 15.044 ( 0.000 5.347 -16.127) 16.990 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( 0.801 8.122 4.145) 9.154 3.227 ( 5.460 7.886 3.500) 10.210 3.750 ( 12.840 23.756 -3.605) 27.243 4.566 ( 1.687 6.446 1.969) 6.948 5.181 ( 1.905 19.286 -5.340) 20.102 6.430 ( 4.357 34.400 0.506) 34.678 8.481 ( 5.916 13.776 0.278) 14.995 9.107 ( -5.196 -6.575 -1.967) 8.608 10.223 ( 2.069 -2.280 0.153) 3.083 10.535 ( -0.218 -4.976 -4.977) 7.042 12.997 ( -2.971 -33.958 12.003) 36.139 15.001 ( -4.870 3.601 -12.967) 14.311 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 3.838 8.220 2.521) 9.416 3.421 ( 7.512 7.591 1.290) 10.757 4.266 ( 19.287 24.138 -1.583) 30.938 4.630 ( 1.636 0.628 0.087) 1.754 5.382 ( 3.055 15.470 -2.403) 15.951 6.862 ( 7.704 30.221 0.395) 31.190 8.763 ( 9.885 14.608 0.505) 17.645 8.952 ( -6.741 -1.234 -2.152) 7.183 10.267 ( 3.579 0.485 -0.902) 3.723 10.444 ( -1.341 -6.932 -2.133) 7.376 12.619 ( -6.081 -32.952 8.344) 34.532 14.872 ( -8.192 0.382 -8.727) 11.975 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 4.990 7.490 1.192) 9.079 3.641 ( 8.127 9.062 0.691) 12.192 4.637 ( 0.417 -0.673 0.844) 1.157 4.831 ( 17.882 22.687 -2.911) 29.034 5.577 ( 5.019 11.333 0.204) 12.396 7.261 ( 8.349 21.276 0.254) 22.856 8.844 ( -4.178 2.375 -0.882) 4.886 9.103 ( 10.297 15.256 0.328) 18.409 10.241 ( -3.529 -6.588 -3.099) 8.091 10.454 ( 5.728 3.955 0.364) 6.970 12.205 ( -8.955 -28.440 4.589) 30.168 14.687 ( -8.548 -3.837 -4.372) 10.340 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.595 ( 4.124 6.063 -0.206) 7.335 3.874 ( 6.923 11.262 -0.043) 13.219 4.627 ( -0.200 -1.142 -0.337) 1.207 5.254 ( 8.212 15.340 -1.029) 17.430 5.811 ( 8.342 14.412 1.004) 16.683 7.544 ( 5.811 10.605 0.360) 12.098 8.859 ( 2.361 4.810 -0.057) 5.359 9.399 ( 7.140 12.754 0.701) 14.633 10.083 ( -4.423 -8.047 -1.941) 9.385 10.632 ( 5.855 9.802 -0.421) 11.425 11.803 ( -10.520 -19.891 1.364) 22.543 14.494 ( -5.655 -8.109 -0.917) 9.929 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( 2.075 4.761 -1.391) 5.377 4.087 ( 3.658 13.395 -1.564) 13.973 4.613 ( -0.363 -0.175 -0.765) 0.865 5.410 ( 2.449 0.695 2.119) 3.313 6.124 ( 3.075 25.015 -0.462) 25.207 7.672 ( 3.468 -0.068 0.731) 3.545 9.010 ( 8.772 5.010 0.237) 10.105 9.572 ( 0.272 7.238 0.164) 7.245 9.950 ( 0.137 -8.534 -0.365) 8.543 10.806 ( 0.400 12.851 0.690) 12.876 11.488 ( -9.400 -8.275 -1.759) 12.646 14.345 ( -0.271 -11.075 0.978) 11.121 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 0.000 5.093 1.216) 5.237 3.263 ( 0.000 8.328 2.170) 8.606 3.850 ( 0.000 22.333 -2.013) 22.423 4.605 ( 0.000 2.545 1.654) 3.035 5.338 ( 0.000 17.878 -3.276) 18.176 6.734 ( 0.000 33.363 -0.356) 33.365 8.556 ( 0.000 12.708 -0.273) 12.711 9.107 ( -0.000 -0.944 -3.404) 3.532 10.182 ( -0.000 -1.663 0.508) 1.739 10.475 ( -0.000 -6.292 -0.725) 6.334 12.713 ( -0.000 -35.179 9.847) 36.531 15.039 ( 0.000 2.804 -11.419) 11.758 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 3.301 5.512 0.852) 6.481 3.386 ( 4.419 7.319 1.542) 8.687 4.180 ( 13.880 20.416 -1.313) 24.722 4.624 ( 0.267 -0.147 1.825) 1.850 5.498 ( 0.514 14.701 -2.076) 14.856 7.062 ( 2.988 27.522 -1.117) 27.706 8.741 ( 7.378 12.251 -0.401) 14.307 9.068 ( -5.304 4.997 -3.689) 8.167 10.205 ( 3.285 0.237 0.119) 3.296 10.401 ( -1.223 -6.697 2.113) 7.128 12.376 ( -2.032 -34.513 7.110) 35.296 14.977 ( -5.716 1.067 -8.940) 10.664 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 5.048 6.085 1.440) 8.036 3.570 ( 8.427 6.893 1.830) 11.040 4.618 ( 2.404 0.228 -0.474) 2.461 4.692 ( 19.262 17.556 0.985) 26.081 5.626 ( 1.115 9.803 -1.384) 9.963 7.360 ( 4.557 19.896 -1.234) 20.449 8.984 ( -2.388 8.678 -1.248) 9.087 9.060 ( 6.529 12.397 -2.083) 14.165 10.232 ( -1.868 -3.615 -0.838) 4.154 10.380 ( 5.259 0.148 3.250) 6.184 12.023 ( -3.134 -30.960 4.658) 31.465 14.814 ( -10.118 -1.208 -6.082) 11.867 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.582 ( 4.487 5.387 1.866) 7.255 3.815 ( 10.635 7.903 1.885) 13.383 4.617 ( 0.083 -1.135 1.112) 1.591 5.209 ( 16.048 15.990 -1.765) 22.723 5.756 ( 7.823 6.631 -0.191) 10.257 7.585 ( 3.136 11.973 -0.943) 12.413 8.964 ( -5.761 10.147 -1.274) 11.737 9.359 ( 10.609 10.184 -0.620) 14.719 10.109 ( -6.039 -4.704 0.250) 7.659 10.558 ( 10.567 4.520 0.782) 11.520 11.708 ( -3.201 -23.455 3.007) 23.862 14.585 ( -11.660 -3.650 -3.285) 12.652 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( 0.000 3.833 0.246) 3.841 3.433 ( 0.000 7.684 3.021) 8.257 4.237 ( 0.000 17.277 -0.708) 17.291 4.623 ( -0.000 -1.022 2.648) 2.839 5.623 ( 0.000 12.093 -2.171) 12.286 7.275 ( 0.000 21.530 -2.159) 21.638 8.781 ( 0.000 10.134 -0.465) 10.145 9.188 ( 0.000 11.479 -4.117) 12.195 10.181 ( 0.000 1.050 0.496) 1.161 10.360 ( -0.000 -6.125 4.795) 7.778 12.070 ( -0.000 -34.051 4.756) 34.382 15.011 ( 0.000 0.710 -7.864) 7.896 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.392 ( 5.229 3.717 0.566) 6.440 3.549 ( 3.357 7.209 5.433) 9.631 4.514 ( 13.194 13.434 -1.294) 18.874 4.628 ( 1.481 -0.061 3.525) 3.824 5.710 ( -0.765 7.995 -2.697) 8.472 7.471 ( 2.323 15.606 -2.177) 15.928 8.949 ( 8.444 8.891 -0.359) 12.267 9.252 ( -6.384 14.964 -3.455) 16.632 10.219 ( 1.540 0.882 -0.171) 1.783 10.320 ( 0.823 -4.126 5.856) 7.210 11.754 ( -0.263 -30.822 2.705) 30.942 14.936 ( -6.421 -0.074 -6.233) 8.949 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.542 ( 6.709 3.683 1.591) 7.817 3.728 ( 7.692 6.357 6.709) 12.024 4.612 ( 0.147 -0.343 1.696) 1.736 4.997 ( 22.942 12.361 -0.363) 26.063 5.739 ( -0.560 3.041 -2.919) 4.252 7.642 ( 2.868 10.483 -1.650) 10.992 9.178 ( 1.825 9.776 -0.597) 9.963 9.288 ( 0.743 12.460 -1.982) 12.639 10.182 ( -4.746 -0.872 1.717) 5.121 10.400 ( 8.914 -1.752 2.090) 9.322 11.496 ( 1.190 -23.374 2.059) 23.495 14.759 ( -11.524 -0.763 -4.382) 12.352 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 0.000 2.655 0.599) 2.722 3.616 ( 0.000 6.873 9.310) 11.572 4.512 ( 0.000 10.775 -0.460) 10.785 4.622 ( -0.000 -0.523 3.277) 3.318 5.774 ( 0.000 5.164 -3.938) 6.494 7.578 ( 0.000 11.674 -1.998) 11.844 8.946 ( 0.000 6.703 0.254) 6.708 9.468 ( 0.000 17.699 -2.996) 17.950 10.214 ( 0.000 1.713 -0.309) 1.741 10.293 ( -0.000 -4.931 6.730) 8.343 11.465 ( -0.000 -27.733 0.403) 27.736 14.975 ( 0.000 0.231 -5.631) 5.635 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.454 ( 5.953 2.042 0.807) 6.345 3.734 ( 2.558 5.234 12.264) 13.577 4.620 ( 0.201 1.813 1.748) 2.527 4.750 ( 15.181 6.942 0.718) 16.708 5.778 ( -1.866 1.601 -5.003) 5.575 7.688 ( 1.754 8.160 -1.348) 8.454 9.086 ( 8.764 4.995 0.360) 10.094 9.564 ( -7.846 17.210 -1.531) 18.976 10.241 ( -0.365 1.442 0.600) 1.604 10.263 ( 2.392 -6.871 4.051) 8.327 11.244 ( 2.691 -19.874 -0.356) 20.058 14.904 ( -6.696 0.539 -4.673) 8.183 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 0.000 1.073 1.014) 1.476 3.798 ( 0.000 2.448 15.363) 15.557 4.654 ( 0.000 3.866 -0.437) 3.890 4.668 ( 0.000 3.898 3.481) 5.226 5.783 ( 0.000 -0.680 -6.467) 6.503 7.737 ( 0.000 5.249 -0.779) 5.307 9.049 ( 0.000 3.113 1.202) 3.337 9.807 ( 0.000 17.311 -0.324) 17.314 10.197 ( -0.000 -10.348 5.068) 11.522 10.228 ( 0.000 0.049 -1.261) 1.262 11.051 ( -0.000 -11.640 -2.054) 11.820 14.957 ( 0.000 1.407 -4.576) 4.788 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -0.000 0.000 22.519) 22.519 1.309 ( -0.000 0.000 22.519) 22.519 2.676 ( -0.000 0.000 48.841) 48.841 3.046 ( 0.000 -0.000 -7.775) 7.775 3.046 ( 0.000 -0.000 -7.775) 7.775 6.722 ( 0.000 -0.000 -25.064) 25.064 7.742 ( -0.000 0.000 1.179) 1.179 7.742 ( -0.000 0.000 1.179) 1.179 10.560 ( 0.000 -0.000 -0.902) 0.902 10.560 ( 0.000 -0.000 -0.902) 0.902 14.258 ( -0.000 0.000 4.702) 4.702 15.173 ( 0.000 -0.000 -1.988) 1.988 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 14.039 8.106 19.648) 25.473 1.833 ( 29.677 17.134 20.175) 39.766 2.862 ( 6.991 4.036 31.410) 32.431 3.045 ( 2.223 1.283 -7.888) 8.295 3.216 ( 14.847 8.572 0.496) 17.151 6.188 ( -19.938 -11.511 -12.376) 26.138 7.789 ( 3.329 1.922 0.977) 3.966 8.758 ( 60.237 34.778 -20.641) 72.553 10.398 ( -12.856 -7.423 -1.436) 14.914 10.528 ( -2.415 -1.394 -0.847) 2.915 14.266 ( -1.335 -0.771 5.999) 6.194 15.115 ( -4.090 -2.361 -6.134) 7.742 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 21.287 12.290 15.616) 29.121 2.410 ( 11.291 6.519 26.930) 29.920 3.098 ( 4.695 2.711 -8.280) 9.897 3.389 ( 35.536 20.517 3.529) 41.185 3.650 ( 20.847 12.036 7.655) 25.260 5.849 ( -7.816 -4.512 -11.499) 14.617 7.900 ( 6.131 3.540 0.745) 7.119 9.759 ( 14.832 8.563 -7.332) 18.630 10.137 ( 7.856 4.536 -15.758) 18.183 10.450 ( -4.023 -2.323 -0.777) 4.710 14.212 ( -6.566 -3.791 13.012) 15.060 14.956 ( -6.209 -3.585 -15.607) 17.174 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 20.984 12.115 13.173) 27.579 2.655 ( 6.502 3.754 21.209) 22.499 3.213 ( 8.287 4.785 -9.024) 13.153 4.163 ( 21.952 12.674 5.087) 25.853 4.297 ( 38.637 22.307 -3.478) 44.749 5.745 ( 2.491 1.438 -7.900) 8.408 8.072 ( 8.750 5.052 0.597) 10.121 9.496 ( -17.475 -10.089 1.786) 20.258 10.349 ( -4.407 -2.544 -0.714) 5.138 10.583 ( 18.068 10.431 -18.974) 28.201 14.004 ( -17.153 -9.903 17.051) 26.135 14.791 ( -2.056 -1.187 -18.424) 18.576 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 10.086 5.823 12.994) 17.449 2.974 ( 12.448 7.187 9.069) 16.995 3.456 ( 15.953 9.210 -6.969) 19.695 4.615 ( 14.705 8.490 4.350) 17.529 4.951 ( 19.840 11.455 -12.685) 26.187 6.022 ( 23.749 13.712 1.677) 27.474 8.296 ( 10.586 6.112 0.532) 12.235 9.155 ( -11.927 -6.886 2.004) 13.917 10.255 ( -3.439 -1.986 -0.630) 4.021 10.751 ( 2.708 1.563 -15.132) 15.452 13.526 ( -27.531 -15.895 8.505) 32.908 14.765 ( 2.637 1.523 -7.187) 7.805 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 12.631 7.292 5.340) 15.532 3.189 ( 6.122 3.534 2.931) 7.652 3.853 ( 18.452 10.653 -2.110) 21.411 4.789 ( 1.774 1.024 -6.744) 7.048 5.288 ( 14.124 8.154 -2.144) 16.449 6.671 ( 28.100 16.224 3.784) 32.667 8.545 ( 10.820 6.247 0.396) 12.500 9.002 ( -1.488 -0.859 2.671) 3.176 10.196 ( -1.485 -0.857 -0.418) 1.765 10.673 ( -4.457 -2.573 -12.867) 13.858 12.853 ( -32.054 -18.506 1.829) 37.058 14.825 ( 2.798 1.615 1.414) 3.527 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 4.044 2.335 0.370) 4.684 3.483 ( 12.362 7.137 -2.409) 14.476 4.233 ( 14.715 8.496 -0.307) 16.994 4.742 ( -2.419 -1.397 -8.863) 9.293 5.564 ( 9.364 5.406 3.656) 11.414 7.223 ( 18.792 10.849 3.099) 21.919 8.776 ( 9.122 5.267 0.001) 10.534 9.117 ( 10.367 5.985 2.987) 12.337 10.185 ( 0.485 0.280 0.041) 0.561 10.513 ( -5.594 -3.230 -10.660) 12.465 12.121 ( -31.470 -18.169 -0.239) 36.339 14.885 ( 1.477 0.853 4.727) 5.025 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( 2.525 1.458 -0.636) 2.984 3.711 ( 8.897 5.136 -10.495) 14.686 4.508 ( 9.272 5.353 0.278) 10.710 4.665 ( -1.516 -0.875 -5.631) 5.897 5.729 ( 3.882 2.241 5.531) 7.119 7.560 ( 10.656 6.152 1.913) 12.452 8.951 ( 6.126 3.537 -0.628) 7.102 9.442 ( 15.971 9.221 2.401) 18.598 10.209 ( 1.157 0.668 0.692) 1.504 10.365 ( -4.989 -2.880 -8.186) 10.010 11.464 ( -25.098 -14.490 0.653) 28.988 14.924 ( 0.649 0.375 5.160) 5.214 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.000 17.874 17.161) 24.779 1.854 ( 0.000 35.260 19.582) 40.333 2.959 ( 0.000 6.267 20.611) 21.543 3.025 ( 0.000 2.733 -8.206) 8.649 3.206 ( 0.000 15.264 10.190) 18.353 6.149 ( -0.000 -22.037 -13.623) 25.908 7.775 ( 0.000 3.120 1.244) 3.359 8.700 ( 0.000 66.125 -17.258) 68.340 10.403 ( -0.000 -13.453 -1.835) 13.578 10.527 ( -0.000 -2.756 -0.822) 2.876 14.281 ( -0.000 -1.764 5.794) 6.057 15.101 ( -0.000 -5.008 -5.700) 7.588 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 9.269 22.757 14.805) 28.688 2.401 ( 11.991 20.676 23.803) 33.733 3.053 ( 2.424 4.622 -8.173) 9.697 3.205 ( 13.345 24.013 -0.875) 27.486 3.531 ( 12.572 16.760 15.742) 26.206 5.869 ( -5.988 -9.866 -12.170) 16.772 7.857 ( 3.973 4.926 0.988) 6.405 9.503 ( 25.103 39.769 -14.233) 49.136 10.163 ( -8.627 -10.433 -6.236) 14.905 10.475 ( -1.979 -3.290 -0.864) 3.935 14.259 ( -1.525 -6.101 10.385) 12.140 14.978 ( -4.991 -4.671 -12.261) 14.038 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 14.339 23.033 13.280) 30.207 2.696 ( 2.981 6.240 21.878) 22.945 3.145 ( 4.659 7.721 -9.031) 12.763 3.883 ( 28.450 28.424 -11.003) 41.694 4.036 ( 20.625 21.023 14.608) 32.875 5.715 ( -1.013 -0.696 -9.625) 9.703 8.009 ( 6.333 7.341 0.735) 9.723 9.641 ( -12.547 -14.850 2.536) 19.606 10.316 ( 13.961 13.235 -13.497) 23.500 10.413 ( 1.182 3.924 -5.764) 7.072 14.139 ( -7.331 -14.847 17.043) 23.762 14.800 ( -5.653 0.539 -18.985) 19.816 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 5.267 7.116 14.212) 16.744 2.935 ( 10.046 16.318 11.795) 22.502 3.340 ( 10.068 15.350 -8.897) 20.399 4.444 ( 17.952 12.212 2.903) 21.905 4.697 ( 22.410 20.175 -7.791) 31.143 5.836 ( 13.643 12.654 -1.877) 18.702 8.220 ( 8.112 9.761 0.690) 12.710 9.277 ( -12.463 -12.527 1.935) 17.776 10.298 ( -3.331 -1.834 -0.672) 3.862 10.643 ( 7.293 4.925 -13.819) 16.383 13.774 ( -19.125 -21.704 10.545) 30.790 14.731 ( 0.417 3.704 -10.448) 11.094 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 8.374 7.992 7.394) 13.735 3.189 ( 3.850 9.625 4.587) 11.336 3.736 ( 14.045 22.150 -2.699) 26.366 4.724 ( 5.747 2.479 -4.644) 7.794 5.121 ( 15.178 11.859 -3.968) 19.666 6.394 ( 26.519 21.136 2.940) 34.039 8.473 ( 8.571 11.570 0.754) 14.418 9.027 ( -5.191 -7.339 2.513) 9.334 10.234 ( -2.819 0.468 -0.637) 2.928 10.650 ( -1.083 -3.189 -11.614) 12.092 13.169 ( -27.167 -22.453 2.181) 35.312 14.780 ( 3.457 0.881 -0.097) 3.569 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 3.374 6.796 0.584) 7.609 3.381 ( 8.061 9.613 1.423) 12.626 4.168 ( 10.811 21.367 -0.074) 23.947 4.733 ( -0.880 -0.855 -8.450) 8.538 5.453 ( 11.864 7.814 2.194) 14.374 7.021 ( 21.634 16.536 3.013) 27.396 8.730 ( 7.048 12.244 0.696) 14.145 8.999 ( 6.448 -1.393 3.053) 7.269 10.210 ( -1.536 2.371 -0.397) 2.853 10.522 ( -3.990 -4.853 -9.931) 11.752 12.460 ( -30.029 -20.510 -1.207) 36.385 14.842 ( 3.711 -2.628 4.480) 6.384 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( 0.594 6.708 -0.498) 6.753 3.603 ( 7.663 7.733 -5.971) 12.417 4.504 ( 5.271 17.231 0.919) 18.042 4.676 ( -1.722 1.211 -6.506) 6.838 5.677 ( 6.731 3.220 4.122) 8.525 7.449 ( 12.501 10.112 2.423) 16.261 8.946 ( 3.845 11.645 0.285) 12.267 9.222 ( 16.371 2.462 2.861) 16.800 10.219 ( -0.192 2.070 0.034) 2.079 10.386 ( -4.050 -2.575 -7.873) 9.220 11.772 ( -27.680 -16.028 -1.136) 32.006 14.881 ( 3.421 -4.899 5.369) 8.033 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 0.000 24.448 12.139) 27.296 2.603 ( 0.000 19.624 23.479) 30.600 3.048 ( 0.000 4.974 -8.699) 10.021 3.359 ( 0.000 34.493 -9.737) 35.841 3.674 ( 0.000 21.740 19.795) 29.402 5.783 ( -0.000 -7.951 -11.660) 14.113 7.883 ( 0.000 7.018 1.234) 7.125 9.647 ( 0.000 27.380 -4.791) 27.796 10.125 ( -0.000 -1.532 -12.835) 12.926 10.446 ( -0.000 -4.812 -0.643) 4.855 14.224 ( -0.000 -11.273 12.759) 17.026 14.940 ( -0.000 -2.818 -14.941) 15.204 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 9.515 25.210 11.475) 29.287 2.807 ( 0.067 7.906 18.488) 20.108 3.117 ( 4.346 7.570 -9.274) 12.736 3.811 ( 12.773 35.254 -9.526) 38.688 4.060 ( 9.796 27.937 13.912) 32.711 5.694 ( -0.476 0.153 -9.234) 9.247 8.002 ( 4.082 9.074 1.012) 10.001 9.651 ( -5.975 -16.117 3.214) 17.487 10.262 ( 6.116 20.356 -14.301) 25.618 10.401 ( 0.979 -1.441 -2.846) 3.336 14.101 ( -2.656 -19.971 16.689) 26.161 14.844 ( -4.076 2.724 -18.903) 19.528 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 1.604 7.135 11.842) 13.918 2.988 ( 9.242 18.599 11.555) 23.766 3.312 ( 9.907 17.462 -9.998) 22.428 4.306 ( 14.592 18.075 1.130) 23.258 4.591 ( 14.582 26.930 -2.707) 30.744 5.781 ( 7.379 13.973 -3.412) 16.165 8.203 ( 6.892 11.712 0.848) 13.616 9.339 ( -10.319 -15.612 1.161) 18.750 10.312 ( -0.995 -2.398 -0.563) 2.656 10.547 ( 6.060 7.525 -10.681) 14.403 13.816 ( -9.779 -26.862 13.308) 31.532 14.766 ( -3.282 5.820 -14.245) 15.734 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 4.926 8.487 6.804) 11.942 3.246 ( 3.836 10.589 4.008) 11.955 3.749 ( 13.997 27.923 -2.584) 31.341 4.626 ( 8.086 5.079 -1.488) 9.664 5.007 ( 12.243 16.695 -4.518) 21.191 6.228 ( 19.929 25.473 1.427) 32.374 8.466 ( 8.183 14.394 0.928) 16.583 9.051 ( -7.467 -10.877 1.322) 13.260 10.276 ( -1.394 0.148 -0.624) 1.535 10.590 ( 0.440 -2.738 -8.334) 8.783 13.329 ( -18.520 -27.352 5.082) 33.420 14.752 ( -0.021 2.078 -4.377) 4.846 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 5.928 8.394 1.734) 10.421 3.413 ( 2.955 11.125 1.694) 11.635 4.244 ( 10.662 28.257 0.658) 30.208 4.700 ( 1.295 -0.095 -6.511) 6.639 5.349 ( 11.479 11.556 0.868) 16.311 6.846 ( 21.353 22.125 2.012) 30.815 8.757 ( 7.319 15.974 1.161) 17.609 8.909 ( 0.642 -5.608 2.058) 6.008 10.264 ( -1.615 2.409 -0.734) 2.991 10.497 ( -2.361 -5.252 -7.077) 9.124 12.708 ( -24.304 -24.172 -0.377) 34.280 14.762 ( 2.237 -3.763 2.104) 4.857 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 2.821 7.897 -1.304) 8.487 3.585 ( 3.717 11.221 -1.324) 11.895 4.609 ( 1.513 10.235 1.354) 10.435 4.724 ( 2.958 16.323 -5.562) 17.496 5.607 ( 7.492 6.213 2.550) 10.062 7.344 ( 14.592 14.170 1.982) 20.436 8.967 ( 9.538 0.752 2.088) 9.793 9.043 ( 6.363 13.911 1.495) 15.370 10.236 ( -1.840 -2.372 -1.418) 3.320 10.418 ( -2.193 2.477 -4.865) 5.884 12.056 ( -25.529 -18.785 -2.274) 31.777 14.763 ( 3.681 -8.230 4.476) 10.066 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 0.000 24.118 10.471) 26.293 2.935 ( 0.000 6.701 12.422) 14.114 3.114 ( 0.000 8.307 -10.247) 13.191 4.027 ( 0.000 30.627 -2.276) 30.711 4.325 ( 0.000 34.150 5.836) 34.645 5.698 ( 0.000 7.159 -6.789) 9.867 8.065 ( 0.000 10.565 0.912) 10.604 9.545 ( -0.000 -17.704 1.668) 17.782 10.339 ( -0.000 -5.392 -0.289) 5.399 10.384 ( 0.000 18.392 -11.590) 21.739 13.949 ( -0.000 -26.084 16.493) 30.861 14.863 ( 0.000 5.952 -18.671) 19.597 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 0.685 7.295 7.491) 10.479 3.051 ( 5.766 14.067 8.831) 17.581 3.278 ( 9.925 18.928 -10.056) 23.620 4.336 ( 5.380 19.472 3.877) 20.570 4.699 ( 5.004 28.468 -3.425) 29.107 5.844 ( 3.895 21.089 -2.506) 21.592 8.221 ( 4.799 12.327 0.625) 13.243 9.326 ( -5.885 -15.396 -0.399) 16.487 10.287 ( 0.097 -3.877 -0.032) 3.878 10.517 ( 2.641 6.593 -6.349) 9.526 13.685 ( -3.857 -30.895 13.841) 34.073 14.845 ( -3.216 7.119 -15.397) 17.265 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 2.900 7.980 3.652) 9.243 3.268 ( 5.790 8.371 2.056) 10.384 3.749 ( 17.159 27.203 -2.584) 32.266 4.572 ( 4.840 6.910 2.655) 8.844 5.016 ( 6.488 20.266 -4.488) 21.747 6.239 ( 11.461 30.703 0.239) 32.773 8.470 ( 8.341 14.596 0.466) 16.818 9.073 ( -7.419 -10.787 -0.750) 13.113 10.272 ( 1.073 -1.224 -0.163) 1.636 10.541 ( -0.130 -2.565 -3.557) 4.387 13.294 ( -9.586 -32.058 8.275) 34.468 14.800 ( -4.003 4.091 -8.819) 10.514 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 4.912 8.538 1.464) 9.958 3.455 ( 5.373 9.733 0.562) 11.131 4.309 ( 15.707 28.074 0.077) 32.170 4.657 ( 1.702 0.266 -1.633) 2.373 5.311 ( 8.204 15.212 -0.653) 17.296 6.773 ( 15.489 27.331 0.611) 31.421 8.781 ( 9.155 16.160 0.586) 18.582 8.885 ( -3.927 -5.605 -0.027) 6.844 10.290 ( 0.458 0.873 -0.721) 1.222 10.465 ( -1.727 -4.890 -2.225) 5.644 12.790 ( -15.442 -29.131 2.531) 33.067 14.735 ( -2.795 -1.868 -2.254) 4.047 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.455 ( 4.466 7.797 -0.566) 9.003 3.644 ( 4.116 11.676 -0.017) 12.381 4.644 ( -0.735 -0.199 -0.234) 0.797 4.822 ( 11.142 26.198 -1.315) 28.500 5.574 ( 6.991 10.790 0.860) 12.886 7.258 ( 13.748 18.094 0.719) 22.736 8.834 ( 3.399 -1.940 1.032) 4.047 9.101 ( 7.635 16.859 0.654) 18.519 10.231 ( -3.500 -6.361 -1.008) 7.330 10.462 ( 1.443 6.008 -1.459) 6.349 12.233 ( -19.146 -23.048 -1.237) 29.989 14.657 ( -0.415 -7.867 1.852) 8.092 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 0.000 7.307 1.599) 7.480 3.112 ( 0.000 6.782 4.184) 7.969 3.368 ( 0.000 24.742 -5.186) 25.280 4.480 ( 0.000 13.296 5.960) 14.570 4.911 ( 0.000 24.391 -4.918) 24.882 6.061 ( 0.000 30.967 -1.045) 30.985 8.301 ( 0.000 12.684 0.240) 12.687 9.234 ( -0.000 -12.317 -2.201) 12.512 10.242 ( -0.000 -4.163 0.211) 4.168 10.530 ( 0.000 1.878 -1.577) 2.453 13.438 ( -0.000 -33.988 12.176) 36.104 14.899 ( 0.000 7.072 -13.947) 15.638 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 1.229 7.176 0.424) 7.293 3.243 ( 5.278 6.834 -0.220) 8.637 3.724 ( 13.094 25.004 -1.693) 28.276 4.600 ( 1.076 4.902 5.293) 7.294 5.138 ( 2.069 20.673 -3.770) 21.116 6.429 ( 4.618 34.419 -0.712) 34.735 8.482 ( 6.037 13.520 -0.107) 14.807 9.083 ( -4.773 -7.322 -2.917) 9.214 10.225 ( 1.896 -2.215 0.300) 2.931 10.519 ( -0.806 -3.515 1.464) 3.892 13.097 ( -3.642 -35.271 8.849) 36.547 14.888 ( -3.843 4.928 -10.460) 12.184 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.298 ( 4.016 8.023 0.482) 8.985 3.425 ( 7.595 7.731 -0.533) 10.851 4.253 ( 19.583 24.104 -1.206) 31.079 4.649 ( 0.280 0.335 3.850) 3.875 5.362 ( 3.764 16.241 -1.858) 16.775 6.859 ( 8.079 29.830 -0.854) 30.916 8.764 ( 10.235 14.528 -0.383) 17.775 8.930 ( -6.044 -1.896 -2.342) 6.753 10.261 ( 2.856 -0.144 -0.226) 2.869 10.449 ( -2.037 -5.219 2.925) 6.321 12.683 ( -7.302 -33.527 4.814) 34.649 14.801 ( -6.402 0.791 -5.974) 8.792 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( 0.000 4.782 -0.307) 4.791 3.265 ( 0.000 9.054 -1.676) 9.208 3.838 ( 0.000 22.806 -0.622) 22.815 4.642 ( 0.000 1.273 6.031) 6.163 5.309 ( 0.000 18.852 -2.807) 19.059 6.725 ( 0.000 32.927 -1.688) 32.970 8.553 ( 0.000 12.509 -0.365) 12.514 9.070 ( -0.000 -1.373 -4.058) 4.284 10.187 ( -0.000 -1.569 0.551) 1.663 10.496 ( -0.000 -5.221 4.975) 7.212 12.795 ( -0.000 -36.730 7.152) 37.420 14.938 ( 0.000 4.109 -9.572) 10.417 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.303 ( 3.762 5.585 0.139) 6.735 3.391 ( 4.293 9.070 -0.363) 10.041 4.171 ( 13.580 20.428 -0.670) 24.539 4.662 ( 0.007 -0.863 6.010) 6.072 5.476 ( 0.687 14.934 -2.451) 15.149 7.046 ( 3.255 27.116 -2.189) 27.399 8.737 ( 7.360 12.187 -0.594) 14.249 9.032 ( -4.880 4.875 -3.740) 7.847 10.207 ( 2.854 0.029 0.266) 2.866 10.443 ( -1.615 -5.863 6.565) 8.949 12.432 ( -2.308 -35.803 4.581) 36.168 14.899 ( -5.008 1.952 -7.281) 9.050 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.309 ( 0.000 4.104 -0.067) 4.105 3.460 ( 0.000 10.562 2.564) 10.869 4.233 ( 0.000 17.258 -0.215) 17.260 4.667 ( -0.000 -1.959 6.501) 6.790 5.597 ( 0.000 11.807 -3.189) 12.230 7.251 ( 0.000 21.435 -2.777) 21.614 8.778 ( 0.000 10.278 -0.248) 10.281 9.150 ( 0.000 11.734 -3.844) 12.348 10.184 ( 0.000 0.852 0.242) 0.886 10.423 ( -0.000 -5.949 8.214) 10.143 12.106 ( -0.000 -35.560 2.812) 35.671 14.941 ( 0.000 1.586 -6.782) 6.965 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -0.000 0.000 18.430) 18.430 1.504 ( -0.000 0.000 18.430) 18.430 2.972 ( 0.000 -0.000 -7.715) 7.715 2.972 ( 0.000 -0.000 -7.715) 7.715 3.108 ( -0.000 0.000 41.496) 41.496 6.483 ( 0.000 -0.000 -24.659) 24.659 7.753 ( -0.000 0.000 0.985) 0.985 7.753 ( 0.000 0.000 0.985) 0.985 10.552 ( 0.000 -0.000 -0.754) 0.754 10.552 ( 0.000 -0.000 -0.754) 0.754 14.300 ( -0.000 0.000 4.014) 4.014 15.155 ( 0.000 -0.000 -1.799) 1.799 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 12.972 7.490 16.333) 22.161 2.008 ( 31.444 18.154 16.429) 39.853 2.971 ( 2.129 1.229 -7.441) 7.837 2.992 ( 4.486 2.590 -1.636) 5.432 3.359 ( 11.452 6.612 26.648) 29.748 6.056 ( -17.617 -10.171 -14.708) 25.102 7.797 ( 3.251 1.877 0.614) 3.804 8.603 ( 55.195 31.867 -12.296) 64.909 10.386 ( -13.435 -7.757 -1.027) 15.547 10.521 ( -2.406 -1.389 -0.648) 2.853 14.318 ( 0.233 0.134 4.838) 4.845 15.065 ( -7.066 -4.080 -4.432) 9.286 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 20.467 11.817 13.595) 27.264 2.652 ( 11.782 6.802 23.916) 27.515 3.021 ( 4.327 2.498 -7.700) 9.179 3.335 ( 32.228 18.607 -11.477) 38.943 3.783 ( 19.405 11.204 16.279) 27.696 5.739 ( -6.956 -4.016 -11.036) 13.650 7.905 ( 6.103 3.524 0.306) 7.054 9.687 ( 32.809 18.942 -7.348) 38.591 10.029 ( -9.529 -5.501 -7.525) 13.330 10.444 ( -4.026 -2.325 -0.560) 4.683 14.332 ( -2.179 -1.258 11.916) 12.179 14.819 ( -11.002 -6.352 -13.239) 18.348 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 20.602 11.894 12.810) 27.018 2.840 ( 3.815 2.203 17.263) 17.816 3.126 ( 7.811 4.510 -9.256) 12.924 4.130 ( 32.359 18.682 -8.290) 38.274 4.329 ( 25.182 14.539 6.496) 29.794 5.679 ( 5.441 3.141 -5.736) 8.507 8.076 ( 8.788 5.074 0.206) 10.150 9.517 ( -17.775 -10.262 2.597) 20.688 10.343 ( -4.420 -2.552 -0.537) 5.132 10.427 ( 19.335 11.163 -13.588) 26.136 14.147 ( -20.508 -11.840 11.893) 26.500 14.639 ( 2.068 1.194 -12.351) 12.580 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 7.428 4.288 10.681) 13.699 3.057 ( 8.994 5.193 8.121) 13.184 3.392 ( 18.816 10.863 -6.151) 22.581 4.618 ( 12.182 7.033 -4.377) 14.732 4.869 ( 20.580 11.882 -3.539) 24.025 6.037 ( 26.023 15.025 1.472) 30.085 8.300 ( 10.634 6.140 0.305) 12.283 9.179 ( -11.765 -6.793 2.922) 13.896 10.250 ( -3.427 -1.978 -0.561) 3.996 10.626 ( 3.040 1.755 -10.916) 11.466 13.568 ( -29.797 -17.204 0.195) 34.408 14.737 ( 5.765 3.328 1.311) 6.785 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 4.774 2.756 1.816) 5.804 3.235 ( 9.782 5.648 4.377) 12.114 3.839 ( 19.404 11.203 -0.879) 22.423 4.713 ( 0.602 0.348 -8.439) 8.468 5.287 ( 16.168 9.334 1.528) 18.731 6.703 ( 28.222 16.294 2.833) 32.711 8.549 ( 10.769 6.218 0.407) 12.442 9.033 ( -1.388 -0.802 3.714) 4.046 10.192 ( -1.375 -0.794 -0.519) 1.670 10.565 ( -4.206 -2.428 -9.528) 10.694 12.845 ( -32.451 -18.735 -3.247) 37.611 14.862 ( 3.779 2.182 6.149) 7.540 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 16.416 12.694) 20.752 2.025 ( 0.000 36.667 15.988) 40.001 2.950 ( 0.000 2.450 -7.216) 7.621 2.987 ( 0.000 6.533 -5.476) 8.525 3.434 ( 0.000 9.423 28.061) 29.601 6.012 ( -0.000 -19.253 -14.408) 24.047 7.786 ( 0.000 3.207 1.067) 3.379 8.572 ( 0.000 61.491 -10.016) 62.301 10.388 ( -0.000 -14.704 -1.245) 14.757 10.520 ( -0.000 -2.751 -0.617) 2.819 14.330 ( -0.000 0.145 4.421) 4.423 15.054 ( -0.000 -8.360 -3.996) 9.266 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 9.796 21.521 11.013) 26.084 2.614 ( 14.398 24.108 21.112) 35.131 2.980 ( 2.329 4.063 -6.866) 8.311 3.129 ( 10.913 19.372 -12.227) 25.375 3.711 ( 9.846 14.527 18.342) 25.386 5.756 ( -5.411 -8.940 -10.836) 15.054 7.865 ( 3.694 5.104 0.654) 6.334 9.392 ( 27.010 45.048 -8.879) 53.270 10.119 ( -10.625 -16.035 -3.188) 19.498 10.469 ( -2.018 -3.413 -0.536) 4.001 14.350 ( 0.661 -1.703 8.488) 8.682 14.875 ( -7.546 -9.940 -9.364) 15.603 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 14.960 22.932 10.766) 29.421 2.878 ( 1.593 3.370 15.785) 16.220 3.063 ( 4.002 6.669 -7.880) 11.072 3.783 ( 30.022 30.991 -9.431) 44.167 4.152 ( 17.138 17.759 9.238) 26.352 5.635 ( 0.495 0.766 -6.612) 6.674 8.014 ( 6.191 7.564 0.292) 9.779 9.669 ( -13.545 -15.990 3.056) 21.178 10.186 ( 19.614 21.091 -11.449) 30.994 10.391 ( -2.950 -1.963 -0.941) 3.667 14.298 ( -8.105 -15.532 15.900) 23.659 14.628 ( -4.465 1.238 -16.759) 17.387 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( 4.442 5.313 9.360) 11.643 3.046 ( 7.254 12.828 11.270) 18.552 3.254 ( 12.364 17.813 -8.954) 23.460 4.433 ( 18.701 14.400 -4.658) 24.058 4.659 ( 18.840 16.688 -0.443) 25.172 5.824 ( 16.298 14.639 -0.515) 21.913 8.225 ( 8.089 10.015 0.266) 12.876 9.297 ( -12.127 -12.836 2.228) 17.799 10.292 ( -3.312 -1.843 -0.495) 3.823 10.537 ( 7.088 5.710 -8.175) 12.234 13.832 ( -23.005 -22.124 1.066) 31.935 14.677 ( 5.143 4.382 -0.453) 6.772 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 6.387 5.809 4.029) 9.527 3.226 ( 2.989 8.372 3.080) 9.408 3.720 ( 15.057 23.519 -0.703) 27.935 4.663 ( 3.782 2.291 -7.320) 8.552 5.112 ( 16.974 12.608 1.424) 21.192 6.416 ( 27.109 21.255 1.860) 34.499 8.479 ( 8.550 11.831 0.462) 14.604 9.054 ( -4.690 -7.601 3.118) 9.460 10.229 ( -2.797 0.451 -0.492) 2.876 10.560 ( -1.547 -2.642 -7.130) 7.760 13.159 ( -28.595 -21.901 -4.046) 36.245 14.808 ( 5.591 0.384 5.953) 8.176 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 0.000 24.109 7.305) 25.192 2.813 ( 0.000 17.884 20.539) 27.234 2.974 ( 0.000 4.230 -6.331) 7.614 3.239 ( 0.000 34.355 -14.271) 37.201 3.849 ( 0.000 19.218 15.157) 24.475 5.682 ( -0.000 -6.835 -8.862) 11.192 7.894 ( 0.000 7.007 1.005) 7.078 9.612 ( 0.000 40.868 -2.528) 40.946 10.031 ( -0.000 -14.473 -7.085) 16.114 10.441 ( -0.000 -4.759 -0.382) 4.774 14.341 ( -0.000 -5.949 11.643) 13.075 14.808 ( -0.000 -8.919 -12.784) 15.588 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( 10.635 25.956 6.726) 28.846 2.945 ( -0.275 3.637 9.587) 10.258 3.039 ( 3.667 5.990 -6.272) 9.416 3.734 ( 13.674 40.352 -5.655) 42.980 4.167 ( 7.753 22.961 7.975) 25.513 5.621 ( 0.208 1.736 -5.450) 5.723 8.010 ( 3.934 9.100 0.646) 9.935 9.681 ( -7.073 -18.869 2.518) 20.308 10.149 ( 8.777 26.657 -8.319) 29.271 10.388 ( -0.382 -3.869 -0.605) 3.934 14.258 ( -2.690 -20.072 16.264) 25.974 14.671 ( -3.834 2.625 -17.461) 18.069 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 2.008 5.264 4.363) 7.126 3.095 ( 7.186 13.626 10.495) 18.640 3.215 ( 12.384 21.155 -9.879) 26.429 4.306 ( 14.634 22.363 -0.521) 26.731 4.579 ( 12.001 21.699 -0.288) 24.799 5.758 ( 8.943 15.906 -1.257) 18.291 8.208 ( 6.866 11.813 0.295) 13.667 9.347 ( -9.948 -16.358 0.513) 19.152 10.308 ( -1.000 -2.003 -0.228) 2.250 10.478 ( 5.557 8.552 -3.734) 10.861 13.910 ( -13.401 -27.518 5.617) 31.118 14.666 ( 0.974 6.541 -5.958) 8.901 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 4.653 6.869 1.847) 8.500 3.271 ( 3.492 8.956 1.240) 9.692 3.736 ( 15.042 29.137 -0.062) 32.790 4.601 ( 5.163 5.644 -3.253) 8.312 4.991 ( 13.831 16.758 0.791) 21.743 6.237 ( 20.630 25.659 0.593) 32.929 8.471 ( 8.306 14.535 0.249) 16.743 9.064 ( -6.646 -11.418 1.227) 13.269 10.272 ( -1.506 0.140 -0.228) 1.529 10.537 ( -0.618 -1.812 -2.660) 3.278 13.344 ( -21.335 -26.291 -2.002) 33.918 14.744 ( 3.466 0.921 2.649) 4.458 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 0.000 26.764 3.820) 27.035 3.006 ( 0.000 3.489 2.020) 4.032 3.034 ( 0.000 5.335 -5.053) 7.348 4.017 ( 0.000 37.132 1.031) 37.146 4.372 ( 0.000 26.676 3.074) 26.852 5.650 ( 0.000 9.053 -3.153) 9.586 8.072 ( 0.000 10.396 0.606) 10.414 9.553 ( -0.000 -19.669 -0.228) 19.670 10.314 ( 0.000 21.376 -2.828) 21.562 10.338 ( -0.000 -5.268 -0.004) 5.268 14.098 ( -0.000 -27.564 14.139) 30.979 14.698 ( 0.000 7.302 -15.527) 17.158 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 0.726 5.410 -1.831) 5.757 3.118 ( 4.267 6.136 1.269) 7.581 3.199 ( 12.451 26.867 -2.604) 29.726 4.380 ( 4.784 22.206 5.550) 23.384 4.672 ( 4.336 24.779 -2.321) 25.262 5.827 ( 4.444 22.464 -1.064) 22.924 8.225 ( 4.769 12.160 0.192) 13.063 9.316 ( -5.550 -16.374 -1.610) 17.364 10.288 ( 0.069 -3.782 0.265) 3.792 10.492 ( 2.150 8.219 1.163) 8.575 13.794 ( -5.401 -31.964 8.450) 33.500 14.723 ( -1.326 8.112 -9.611) 12.647 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 0.000 7.019 -5.543) 8.944 3.117 ( 0.000 5.746 -3.473) 6.714 3.350 ( 0.000 25.927 1.887) 25.996 4.550 ( 0.000 13.180 8.331) 15.592 4.873 ( 0.000 23.998 -2.973) 24.182 6.050 ( 0.000 31.243 -1.275) 31.269 8.302 ( 0.000 12.440 -0.035) 12.440 9.208 ( -0.000 -13.131 -3.063) 13.483 10.245 ( -0.000 -4.024 0.414) 4.045 10.549 ( 0.000 3.113 5.256) 6.109 13.533 ( -0.000 -35.000 7.349) 35.763 14.788 ( 0.000 7.873 -9.078) 12.017 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -0.000 0.000 12.565) 12.565 1.653 ( -0.000 0.000 12.565) 12.565 2.905 ( 0.000 -0.000 -6.062) 6.062 2.905 ( 0.000 -0.000 -6.062) 6.062 3.449 ( -0.000 0.000 29.476) 29.476 6.269 ( 0.000 -0.000 -19.437) 19.437 7.761 ( -0.000 0.000 0.653) 0.653 7.761 ( 0.000 0.000 0.653) 0.653 10.546 ( 0.000 -0.000 -0.501) 0.501 10.546 ( 0.000 -0.000 -0.501) 0.501 14.333 ( -0.000 0.000 2.719) 2.719 15.140 ( 0.000 -0.000 -1.275) 1.275 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 12.665 7.312 10.752) 18.151 2.137 ( 33.375 19.269 10.263) 39.882 2.909 ( 1.964 1.134 -5.199) 5.672 2.945 ( 4.442 2.565 -5.526) 7.540 3.597 ( 6.668 3.850 20.426) 21.829 5.927 ( -15.451 -8.921 -11.392) 21.168 7.801 ( 3.140 1.813 0.163) 3.630 8.518 ( 51.731 29.867 -5.903) 60.025 10.379 ( -13.696 -7.907 -0.538) 15.824 10.516 ( -2.396 -1.383 -0.357) 2.790 14.356 ( 1.402 0.809 2.910) 3.330 15.031 ( -9.045 -5.222 -2.543) 10.750 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 20.470 11.818 8.742) 25.201 2.861 ( 9.886 5.707 19.608) 22.689 2.959 ( 3.698 2.135 -4.848) 6.460 3.206 ( 34.160 19.722 -14.663) 42.082 3.911 ( 16.616 9.593 9.221) 21.287 5.653 ( -5.871 -3.390 -6.419) 9.336 7.905 ( 6.082 3.511 -0.177) 7.025 9.629 ( 41.654 24.049 -4.591) 48.317 9.985 ( -18.407 -10.627 -2.004) 21.349 10.440 ( -4.046 -2.336 -0.265) 4.679 14.428 ( 3.713 2.144 7.086) 8.282 14.714 ( -17.104 -9.875 -7.498) 21.126 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 22.124 12.773 9.149) 27.135 2.970 ( 2.345 1.354 9.322) 9.707 3.046 ( 5.785 3.340 -6.609) 9.397 4.054 ( 34.234 19.765 -6.605) 40.078 4.375 ( 21.483 12.403 2.496) 24.932 5.642 ( 7.596 4.386 -1.664) 8.927 8.076 ( 8.877 5.125 -0.215) 10.252 9.541 ( -17.871 -10.318 2.154) 20.748 10.331 ( 19.687 11.366 -6.217) 23.568 10.339 ( -4.475 -2.583 -0.285) 5.175 14.193 ( -25.487 -14.715 -3.755) 29.669 14.593 ( 7.585 4.379 4.242) 9.732 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.000 15.494 5.847) 16.560 2.148 ( 0.000 38.777 9.376) 39.894 2.895 ( 0.000 2.173 -4.058) 4.604 2.932 ( 0.000 5.225 -4.772) 7.076 3.651 ( 0.000 6.194 15.856) 17.023 5.895 ( -0.000 -17.134 -8.922) 19.318 7.795 ( 0.000 3.332 0.741) 3.413 8.505 ( 0.000 58.641 -4.335) 58.801 10.379 ( -0.000 -15.446 -0.641) 15.460 10.516 ( -0.000 -2.751 -0.324) 2.770 14.362 ( 0.000 1.583 2.285) 2.780 15.026 ( -0.000 -10.568 -2.002) 10.756 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 10.987 20.683 4.260) 23.804 2.796 ( 19.186 32.465 16.134) 41.017 2.931 ( 2.116 3.572 -2.841) 5.030 3.000 ( 6.240 11.317 -13.484) 18.677 3.839 ( 7.676 12.542 7.409) 16.466 5.679 ( -4.813 -8.167 -4.536) 10.509 7.869 ( 3.333 5.320 0.229) 6.283 9.336 ( 27.444 47.044 -2.975) 54.545 10.100 ( -11.098 -18.492 -0.999) 21.590 10.465 ( -2.015 -3.461 -0.184) 4.009 14.411 ( 2.417 2.932 3.729) 5.324 14.808 ( -9.469 -15.057 -3.980) 18.226 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 16.607 23.401 3.344) 28.889 2.978 ( 1.051 1.227 3.642) 3.985 3.011 ( 2.930 5.133 -1.454) 6.086 3.720 ( 30.486 32.969 -2.992) 45.003 4.202 ( 15.407 16.686 0.847) 22.727 5.598 ( 1.518 1.546 -0.798) 2.309 8.014 ( 6.044 7.778 -0.191) 9.853 9.690 ( -14.352 -17.160 0.857) 22.387 10.118 ( 20.729 23.035 -2.217) 31.069 10.386 ( -3.240 -2.517 -0.118) 4.105 14.386 ( -18.170 -19.019 -5.300) 26.832 14.536 ( 5.970 4.683 5.480) 9.359 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 0.000 24.035 -0.674) 24.044 2.938 ( 0.000 3.786 -0.864) 3.883 2.967 ( 0.000 3.405 6.085) 6.973 3.119 ( 0.000 48.154 -5.255) 48.440 3.941 ( 0.000 17.777 3.402) 18.100 5.629 ( -0.000 -6.232 -1.723) 6.466 7.902 ( 0.000 7.008 0.636) 7.037 9.603 ( 0.000 48.311 0.827) 48.318 9.987 ( -0.000 -21.675 -2.382) 21.806 10.439 ( -0.000 -4.710 -0.065) 4.710 14.433 ( 0.000 2.606 6.239) 6.761 14.709 ( -0.000 -17.958 -6.580) 19.126 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -0.000 0.000 4.559) 4.559 1.736 ( -0.000 0.000 4.559) 4.559 2.863 ( 0.000 -0.000 -2.378) 2.378 2.863 ( 0.000 -0.000 -2.378) 2.378 3.647 ( -0.000 0.000 11.039) 11.039 6.135 ( 0.000 -0.000 -7.703) 7.703 7.765 ( -0.000 0.000 0.228) 0.228 7.765 ( 0.000 0.000 0.228) 0.228 10.542 ( 0.000 -0.000 -0.175) 0.175 10.542 ( 0.000 -0.000 -0.175) 0.175 14.351 ( -0.000 0.000 0.965) 0.965 15.131 ( 0.000 -0.000 -0.464) 0.464 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.64e-04 0.00e+00 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 12.899 7.447 2.789) 15.153 2.192 ( 34.572 19.960 0.663) 39.926 2.879 ( 1.821 1.052 -0.849) 2.268 2.912 ( 3.628 2.095 -0.847) 4.274 3.714 ( 4.885 2.820 3.092) 6.432 5.860 ( -14.356 -8.288 -1.856) 16.680 7.800 ( 3.012 1.739 -0.311) 3.492 8.487 ( 50.237 29.004 -0.660) 58.012 10.376 ( -13.682 -7.899 0.032) 15.799 10.514 ( -2.388 -1.379 -0.017) 2.757 14.372 ( 1.854 1.070 0.359) 2.171 15.017 ( -9.803 -5.660 -0.301) 11.324 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/58956 10.0 2951.762 2951.762 6576.886 0.000 -0.000 0.000 3/58956 20.0 1024.757 1024.757 1446.116 0.000 -0.000 0.000 3/58956 30.0 328.679 328.679 299.648 0.000 -0.000 0.000 3/58956 40.0 168.630 168.630 121.892 0.000 -0.000 0.000 3/58956 50.0 111.348 111.348 69.105 0.000 -0.000 0.000 3/58956 60.0 81.710 81.710 46.322 0.000 -0.000 0.000 3/58956 70.0 63.376 63.376 34.147 0.000 -0.000 0.000 3/58956 80.0 51.054 51.054 26.748 0.000 -0.000 0.000 3/58956 90.0 42.362 42.362 21.857 0.000 -0.000 0.000 3/58956 100.0 36.005 36.005 18.427 0.000 -0.000 0.000 3/58956 110.0 31.214 31.214 15.911 0.000 -0.000 0.000 3/58956 120.0 27.506 27.506 13.999 0.000 -0.000 0.000 3/58956 130.0 24.570 24.570 12.503 0.000 -0.000 0.000 3/58956 140.0 22.197 22.197 11.303 0.000 -0.000 0.000 3/58956 150.0 20.246 20.246 10.321 0.000 -0.000 0.000 3/58956 160.0 18.614 18.614 9.503 0.000 -0.000 0.000 3/58956 170.0 17.232 17.232 8.811 0.000 -0.000 0.000 3/58956 180.0 16.047 16.047 8.218 0.000 -0.000 0.000 3/58956 190.0 15.019 15.019 7.704 0.000 -0.000 0.000 3/58956 200.0 14.120 14.120 7.253 0.000 -0.000 0.000 3/58956 210.0 13.326 13.326 6.855 0.000 -0.000 0.000 3/58956 220.0 12.620 12.620 6.501 0.000 -0.000 0.000 3/58956 230.0 11.987 11.987 6.183 0.000 -0.000 0.000 3/58956 240.0 11.418 11.418 5.897 0.000 -0.000 0.000 3/58956 250.0 10.902 10.902 5.637 0.000 -0.000 0.000 3/58956 260.0 10.432 10.432 5.399 0.000 -0.000 0.000 3/58956 270.0 10.003 10.003 5.182 0.000 -0.000 0.000 3/58956 280.0 9.609 9.609 4.983 0.000 -0.000 0.000 3/58956 290.0 9.246 9.246 4.798 0.000 -0.000 0.000 3/58956 300.0 8.910 8.910 4.628 0.000 -0.000 0.000 3/58956 310.0 8.598 8.598 4.469 0.000 -0.000 0.000 3/58956 320.0 8.308 8.308 4.321 0.000 -0.000 0.000 3/58956 330.0 8.038 8.038 4.183 0.000 -0.000 0.000 3/58956 340.0 7.785 7.785 4.054 0.000 -0.000 0.000 3/58956 350.0 7.548 7.548 3.933 0.000 -0.000 0.000 3/58956 360.0 7.325 7.325 3.819 0.000 -0.000 0.000 3/58956 370.0 7.116 7.116 3.711 0.000 -0.000 0.000 3/58956 380.0 6.918 6.918 3.610 0.000 -0.000 0.000 3/58956 390.0 6.732 6.732 3.514 0.000 -0.000 0.000 3/58956 400.0 6.555 6.555 3.423 0.000 -0.000 0.000 3/58956 410.0 6.388 6.388 3.337 0.000 -0.000 0.000 3/58956 420.0 6.229 6.229 3.255 0.000 -0.000 0.000 3/58956 430.0 6.078 6.078 3.177 0.000 -0.000 0.000 3/58956 440.0 5.934 5.934 3.103 0.000 -0.000 0.000 3/58956 450.0 5.797 5.797 3.032 0.000 -0.000 0.000 3/58956 460.0 5.667 5.667 2.965 0.000 -0.000 0.000 3/58956 470.0 5.542 5.542 2.900 0.000 -0.000 0.000 3/58956 480.0 5.422 5.422 2.839 0.000 -0.000 0.000 3/58956 490.0 5.308 5.308 2.779 0.000 -0.000 0.000 3/58956 500.0 5.199 5.199 2.723 0.000 -0.000 0.000 3/58956 510.0 5.094 5.094 2.668 0.000 -0.000 0.000 3/58956 520.0 4.993 4.993 2.616 0.000 -0.000 0.000 3/58956 530.0 4.896 4.896 2.566 0.000 -0.000 0.000 3/58956 540.0 4.803 4.803 2.518 0.000 -0.000 0.000 3/58956 550.0 4.714 4.714 2.471 0.000 -0.000 0.000 3/58956 560.0 4.628 4.628 2.426 0.000 -0.000 0.000 3/58956 570.0 4.545 4.545 2.383 0.000 -0.000 0.000 3/58956 580.0 4.464 4.464 2.341 0.000 -0.000 0.000 3/58956 590.0 4.387 4.387 2.301 0.000 -0.000 0.000 3/58956 600.0 4.313 4.313 2.262 0.000 -0.000 0.000 3/58956 610.0 4.240 4.240 2.225 0.000 -0.000 0.000 3/58956 620.0 4.171 4.171 2.188 0.000 -0.000 0.000 3/58956 630.0 4.103 4.103 2.153 0.000 -0.000 0.000 3/58956 640.0 4.038 4.038 2.119 0.000 -0.000 0.000 3/58956 650.0 3.975 3.975 2.086 0.000 -0.000 0.000 3/58956 660.0 3.914 3.914 2.054 0.000 -0.000 0.000 3/58956 670.0 3.854 3.854 2.023 0.000 -0.000 0.000 3/58956 680.0 3.797 3.797 1.993 0.000 -0.000 0.000 3/58956 690.0 3.741 3.741 1.964 0.000 -0.000 0.000 3/58956 700.0 3.687 3.687 1.936 0.000 -0.000 0.000 3/58956 710.0 3.634 3.634 1.908 0.000 -0.000 0.000 3/58956 720.0 3.583 3.583 1.882 0.000 -0.000 0.000 3/58956 730.0 3.533 3.533 1.856 0.000 -0.000 0.000 3/58956 740.0 3.485 3.485 1.830 0.000 -0.000 0.000 3/58956 750.0 3.438 3.438 1.806 0.000 -0.000 0.000 3/58956 760.0 3.392 3.392 1.782 0.000 -0.000 0.000 3/58956 770.0 3.347 3.347 1.758 0.000 -0.000 0.000 3/58956 780.0 3.304 3.304 1.736 0.000 -0.000 0.000 3/58956 790.0 3.262 3.262 1.714 0.000 -0.000 0.000 3/58956 800.0 3.220 3.220 1.692 0.000 -0.000 0.000 3/58956 810.0 3.180 3.180 1.671 0.000 -0.000 0.000 3/58956 820.0 3.141 3.141 1.651 0.000 -0.000 0.000 3/58956 830.0 3.103 3.103 1.631 0.000 -0.000 0.000 3/58956 840.0 3.066 3.066 1.611 0.000 -0.000 0.000 3/58956 850.0 3.029 3.029 1.592 0.000 -0.000 0.000 3/58956 860.0 2.994 2.994 1.573 0.000 -0.000 0.000 3/58956 870.0 2.959 2.959 1.555 0.000 -0.000 0.000 3/58956 880.0 2.925 2.925 1.537 0.000 -0.000 0.000 3/58956 890.0 2.892 2.892 1.520 0.000 -0.000 0.000 3/58956 900.0 2.859 2.859 1.503 0.000 -0.000 0.000 3/58956 910.0 2.828 2.828 1.486 0.000 -0.000 0.000 3/58956 920.0 2.797 2.797 1.470 0.000 -0.000 0.000 3/58956 930.0 2.766 2.766 1.454 0.000 -0.000 0.000 3/58956 940.0 2.737 2.737 1.439 0.000 -0.000 0.000 3/58956 950.0 2.708 2.708 1.424 0.000 -0.000 0.000 3/58956 960.0 2.679 2.679 1.409 0.000 -0.000 0.000 3/58956 970.0 2.652 2.652 1.394 0.000 -0.000 0.000 3/58956 980.0 2.624 2.624 1.380 0.000 -0.000 0.000 3/58956 990.0 2.598 2.598 1.366 0.000 -0.000 0.000 3/58956 1000.0 2.571 2.571 1.352 0.000 -0.000 0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:54:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|