----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:16:04]------------------------- 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: [4 4 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 384 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.369671359928614 0.000000000000000 0.000000000000000 b -1.684835679964307 2.918221000103037 0.000000000000000 c 0.000000000000000 0.000000000000000 5.572152630000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *2 Co 0.00000000000000 0.00000000000000 0.50000000000000 58.933 *3 S 0.33333333333333 0.66666666666667 0.70145905340524 32.065 4 S 0.66666666666667 0.33333333333333 0.29854094659476 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.369671359928614 0.000000000000000 0.000000000000000 b -1.684835679964307 2.918221000103037 0.000000000000000 c 0.000000000000000 0.000000000000000 5.572152630000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 *2 Co 0.00000000000000 0.00000000000000 0.50000000000000 58.933 > 2 *3 S 0.33333333333333 0.66666666666667 0.70145905340524 32.065 > 3 4 S 0.66666666666667 0.33333333333333 0.29854094659476 32.065 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.478685439714456 0.000000000000000 0.000000000000000 b -6.739342719857228 11.672884000412148 0.000000000000000 c 0.000000000000000 0.000000000000000 11.144305259999999 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 6 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 7 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 1 8 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 9 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.25000000000000 0.50000000000000 0.00000000000000 6.941 > 1 11 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 12 Li 0.75000000000000 0.50000000000000 0.00000000000000 6.941 > 1 13 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 14 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 15 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 1 16 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 17 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 18 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 1 19 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 20 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 1 21 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 1 22 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 1 23 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 1 24 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 25 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 26 Li 0.25000000000000 0.50000000000000 0.50000000000000 6.941 > 1 27 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 28 Li 0.75000000000000 0.50000000000000 0.50000000000000 6.941 > 1 29 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 1 30 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 31 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 1 32 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 1 *33 Co 0.00000000000000 0.00000000000000 0.25000000000000 58.933 > 2 34 Co 0.25000000000000 0.00000000000000 0.25000000000000 58.933 > 2 35 Co 0.50000000000000 0.00000000000000 0.25000000000000 58.933 > 2 36 Co 0.75000000000000 0.00000000000000 0.25000000000000 58.933 > 2 37 Co 0.00000000000000 0.25000000000000 0.25000000000000 58.933 > 2 38 Co 0.25000000000000 0.25000000000000 0.25000000000000 58.933 > 2 39 Co 0.50000000000000 0.25000000000000 0.25000000000000 58.933 > 2 40 Co 0.75000000000000 0.25000000000000 0.25000000000000 58.933 > 2 41 Co 0.00000000000000 0.50000000000000 0.25000000000000 58.933 > 2 42 Co 0.25000000000000 0.50000000000000 0.25000000000000 58.933 > 2 43 Co 0.50000000000000 0.50000000000000 0.25000000000000 58.933 > 2 44 Co 0.75000000000000 0.50000000000000 0.25000000000000 58.933 > 2 45 Co 0.00000000000000 0.75000000000000 0.25000000000000 58.933 > 2 46 Co 0.25000000000000 0.75000000000000 0.25000000000000 58.933 > 2 47 Co 0.50000000000000 0.75000000000000 0.25000000000000 58.933 > 2 48 Co 0.75000000000000 0.75000000000000 0.25000000000000 58.933 > 2 49 Co 0.00000000000000 0.00000000000000 0.75000000000000 58.933 > 2 50 Co 0.25000000000000 0.00000000000000 0.75000000000000 58.933 > 2 51 Co 0.50000000000000 0.00000000000000 0.75000000000000 58.933 > 2 52 Co 0.75000000000000 0.00000000000000 0.75000000000000 58.933 > 2 53 Co 0.00000000000000 0.25000000000000 0.75000000000000 58.933 > 2 54 Co 0.25000000000000 0.25000000000000 0.75000000000000 58.933 > 2 55 Co 0.50000000000000 0.25000000000000 0.75000000000000 58.933 > 2 56 Co 0.75000000000000 0.25000000000000 0.75000000000000 58.933 > 2 57 Co 0.00000000000000 0.50000000000000 0.75000000000000 58.933 > 2 58 Co 0.25000000000000 0.50000000000000 0.75000000000000 58.933 > 2 59 Co 0.50000000000000 0.50000000000000 0.75000000000000 58.933 > 2 60 Co 0.75000000000000 0.50000000000000 0.75000000000000 58.933 > 2 61 Co 0.00000000000000 0.75000000000000 0.75000000000000 58.933 > 2 62 Co 0.25000000000000 0.75000000000000 0.75000000000000 58.933 > 2 63 Co 0.50000000000000 0.75000000000000 0.75000000000000 58.933 > 2 64 Co 0.75000000000000 0.75000000000000 0.75000000000000 58.933 > 2 *65 S 0.08333333333333 0.16666666666667 0.35072952670262 32.065 > 3 66 S 0.33333333333333 0.16666666666667 0.35072952670262 32.065 > 3 67 S 0.58333333333333 0.16666666666667 0.35072952670262 32.065 > 3 68 S 0.83333333333333 0.16666666666667 0.35072952670262 32.065 > 3 69 S 0.08333333333333 0.41666666666667 0.35072952670262 32.065 > 3 70 S 0.33333333333333 0.41666666666667 0.35072952670262 32.065 > 3 71 S 0.58333333333333 0.41666666666667 0.35072952670262 32.065 > 3 72 S 0.83333333333333 0.41666666666667 0.35072952670262 32.065 > 3 73 S 0.08333333333333 0.66666666666667 0.35072952670262 32.065 > 3 74 S 0.33333333333333 0.66666666666667 0.35072952670262 32.065 > 3 75 S 0.58333333333333 0.66666666666667 0.35072952670262 32.065 > 3 76 S 0.83333333333333 0.66666666666667 0.35072952670262 32.065 > 3 77 S 0.08333333333333 0.91666666666667 0.35072952670262 32.065 > 3 78 S 0.33333333333333 0.91666666666667 0.35072952670262 32.065 > 3 79 S 0.58333333333333 0.91666666666667 0.35072952670262 32.065 > 3 80 S 0.83333333333333 0.91666666666667 0.35072952670262 32.065 > 3 81 S 0.08333333333333 0.16666666666667 0.85072952670262 32.065 > 3 82 S 0.33333333333333 0.16666666666667 0.85072952670262 32.065 > 3 83 S 0.58333333333333 0.16666666666667 0.85072952670262 32.065 > 3 84 S 0.83333333333333 0.16666666666667 0.85072952670262 32.065 > 3 85 S 0.08333333333333 0.41666666666667 0.85072952670262 32.065 > 3 86 S 0.33333333333333 0.41666666666667 0.85072952670262 32.065 > 3 87 S 0.58333333333333 0.41666666666667 0.85072952670262 32.065 > 3 88 S 0.83333333333333 0.41666666666667 0.85072952670262 32.065 > 3 89 S 0.08333333333333 0.66666666666667 0.85072952670262 32.065 > 3 90 S 0.33333333333333 0.66666666666667 0.85072952670262 32.065 > 3 91 S 0.58333333333333 0.66666666666667 0.85072952670262 32.065 > 3 92 S 0.83333333333333 0.66666666666667 0.85072952670262 32.065 > 3 93 S 0.08333333333333 0.91666666666667 0.85072952670262 32.065 > 3 94 S 0.33333333333333 0.91666666666667 0.85072952670262 32.065 > 3 95 S 0.58333333333333 0.91666666666667 0.85072952670262 32.065 > 3 96 S 0.83333333333333 0.91666666666667 0.85072952670262 32.065 > 3 97 S 0.16666666666667 0.08333333333333 0.14927047329738 32.065 > 4 98 S 0.41666666666667 0.08333333333333 0.14927047329738 32.065 > 4 99 S 0.66666666666667 0.08333333333333 0.14927047329738 32.065 > 4 100 S 0.91666666666667 0.08333333333333 0.14927047329738 32.065 > 4 101 S 0.16666666666667 0.33333333333333 0.14927047329738 32.065 > 4 102 S 0.41666666666667 0.33333333333333 0.14927047329738 32.065 > 4 103 S 0.66666666666667 0.33333333333333 0.14927047329738 32.065 > 4 104 S 0.91666666666667 0.33333333333333 0.14927047329738 32.065 > 4 105 S 0.16666666666667 0.58333333333333 0.14927047329738 32.065 > 4 106 S 0.41666666666667 0.58333333333333 0.14927047329738 32.065 > 4 107 S 0.66666666666667 0.58333333333333 0.14927047329738 32.065 > 4 108 S 0.91666666666667 0.58333333333333 0.14927047329738 32.065 > 4 109 S 0.16666666666667 0.83333333333333 0.14927047329738 32.065 > 4 110 S 0.41666666666667 0.83333333333333 0.14927047329738 32.065 > 4 111 S 0.66666666666667 0.83333333333333 0.14927047329738 32.065 > 4 112 S 0.91666666666667 0.83333333333333 0.14927047329738 32.065 > 4 113 S 0.16666666666667 0.08333333333333 0.64927047329738 32.065 > 4 114 S 0.41666666666667 0.08333333333333 0.64927047329738 32.065 > 4 115 S 0.66666666666667 0.08333333333333 0.64927047329738 32.065 > 4 116 S 0.91666666666667 0.08333333333333 0.64927047329738 32.065 > 4 117 S 0.16666666666667 0.33333333333333 0.64927047329738 32.065 > 4 118 S 0.41666666666667 0.33333333333333 0.64927047329738 32.065 > 4 119 S 0.66666666666667 0.33333333333333 0.64927047329738 32.065 > 4 120 S 0.91666666666667 0.33333333333333 0.64927047329738 32.065 > 4 121 S 0.16666666666667 0.58333333333333 0.64927047329738 32.065 > 4 122 S 0.41666666666667 0.58333333333333 0.64927047329738 32.065 > 4 123 S 0.66666666666667 0.58333333333333 0.64927047329738 32.065 > 4 124 S 0.91666666666667 0.58333333333333 0.64927047329738 32.065 > 4 125 S 0.16666666666667 0.83333333333333 0.64927047329738 32.065 > 4 126 S 0.41666666666667 0.83333333333333 0.64927047329738 32.065 > 4 127 S 0.66666666666667 0.83333333333333 0.64927047329738 32.065 > 4 128 S 0.91666666666667 0.83333333333333 0.64927047329738 32.065 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.2375064 0.0000000 0.0000000 0.0000000 22.2375064 0.0000000 0.0000000 0.0000000 13.5664001 -------------------------- Born effective charges -------------------------- 1 Li 1.0174231 0.0000000 0.0000000 0.0000000 1.0174231 0.0000000 0.0000000 0.0000000 2.0089782 2 Co 1.2572491 0.0000000 0.0000000 0.0000000 1.2572491 0.0000000 0.0000000 0.0000000 -0.1997228 3 S -1.1373361 0.0000000 0.0000000 0.0000000 -1.1373361 0.0000000 0.0000000 0.0000000 -0.9046277 4 S -1.1373361 0.0000000 0.0000000 0.0000000 -1.1373361 0.0000000 0.0000000 0.0000000 -0.9046277 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 2856/2856 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 260 Number of blocks in projector: 204 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: 119 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 82 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 59 Use standard eigh solver. Tree of FC basis block matrices: - (260, 254), data: False |-- (59, 56), data: True |-- (82, 82), data: True |-- (119, 116), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 80 / 80 - Time: 0.202 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.213 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 2856/2856 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 260 Number of blocks in projector: 204 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: 119 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 82 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 59 Use standard eigh solver. Tree of FC basis block matrices: - (260, 254), data: False |-- (59, 56), data: True |-- (82, 82), data: True |-- (119, 116), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:16:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:16:08]------------------------- 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): [4 4 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.369671359928614 0.000000000000000 0.000000000000000 b -1.684835679964307 2.918221000103037 0.000000000000000 c 0.000000000000000 0.000000000000000 5.572152630000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Co 0.00000000000000 0.00000000000000 0.50000000000000 58.933 3 S 0.33333333333333 0.66666666666667 0.70145905340524 32.065 4 S 0.66666666666667 0.33333333333333 0.29854094659476 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.478685439714456 0.000000000000000 0.000000000000000 b -6.739342719857228 11.672884000412148 0.000000000000000 c 0.000000000000000 0.000000000000000 11.144305259999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 6 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 7 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 1 8 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 9 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.25000000000000 0.50000000000000 0.00000000000000 6.941 > 1 11 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 12 Li 0.75000000000000 0.50000000000000 0.00000000000000 6.941 > 1 13 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 14 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 15 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 1 16 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 17 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 18 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 1 19 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 20 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 1 21 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 1 22 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 1 23 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 1 24 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 25 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 26 Li 0.25000000000000 0.50000000000000 0.50000000000000 6.941 > 1 27 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 28 Li 0.75000000000000 0.50000000000000 0.50000000000000 6.941 > 1 29 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 1 30 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 31 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 1 32 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 1 33 Co 0.00000000000000 0.00000000000000 0.25000000000000 58.933 > 33 34 Co 0.25000000000000 0.00000000000000 0.25000000000000 58.933 > 33 35 Co 0.50000000000000 0.00000000000000 0.25000000000000 58.933 > 33 36 Co 0.75000000000000 0.00000000000000 0.25000000000000 58.933 > 33 37 Co 0.00000000000000 0.25000000000000 0.25000000000000 58.933 > 33 38 Co 0.25000000000000 0.25000000000000 0.25000000000000 58.933 > 33 39 Co 0.50000000000000 0.25000000000000 0.25000000000000 58.933 > 33 40 Co 0.75000000000000 0.25000000000000 0.25000000000000 58.933 > 33 41 Co 0.00000000000000 0.50000000000000 0.25000000000000 58.933 > 33 42 Co 0.25000000000000 0.50000000000000 0.25000000000000 58.933 > 33 43 Co 0.50000000000000 0.50000000000000 0.25000000000000 58.933 > 33 44 Co 0.75000000000000 0.50000000000000 0.25000000000000 58.933 > 33 45 Co 0.00000000000000 0.75000000000000 0.25000000000000 58.933 > 33 46 Co 0.25000000000000 0.75000000000000 0.25000000000000 58.933 > 33 47 Co 0.50000000000000 0.75000000000000 0.25000000000000 58.933 > 33 48 Co 0.75000000000000 0.75000000000000 0.25000000000000 58.933 > 33 49 Co 0.00000000000000 0.00000000000000 0.75000000000000 58.933 > 33 50 Co 0.25000000000000 0.00000000000000 0.75000000000000 58.933 > 33 51 Co 0.50000000000000 0.00000000000000 0.75000000000000 58.933 > 33 52 Co 0.75000000000000 0.00000000000000 0.75000000000000 58.933 > 33 53 Co 0.00000000000000 0.25000000000000 0.75000000000000 58.933 > 33 54 Co 0.25000000000000 0.25000000000000 0.75000000000000 58.933 > 33 55 Co 0.50000000000000 0.25000000000000 0.75000000000000 58.933 > 33 56 Co 0.75000000000000 0.25000000000000 0.75000000000000 58.933 > 33 57 Co 0.00000000000000 0.50000000000000 0.75000000000000 58.933 > 33 58 Co 0.25000000000000 0.50000000000000 0.75000000000000 58.933 > 33 59 Co 0.50000000000000 0.50000000000000 0.75000000000000 58.933 > 33 60 Co 0.75000000000000 0.50000000000000 0.75000000000000 58.933 > 33 61 Co 0.00000000000000 0.75000000000000 0.75000000000000 58.933 > 33 62 Co 0.25000000000000 0.75000000000000 0.75000000000000 58.933 > 33 63 Co 0.50000000000000 0.75000000000000 0.75000000000000 58.933 > 33 64 Co 0.75000000000000 0.75000000000000 0.75000000000000 58.933 > 33 65 S 0.08333333333333 0.16666666666667 0.35072952670262 32.065 > 65 66 S 0.33333333333333 0.16666666666667 0.35072952670262 32.065 > 65 67 S 0.58333333333333 0.16666666666667 0.35072952670262 32.065 > 65 68 S 0.83333333333333 0.16666666666667 0.35072952670262 32.065 > 65 69 S 0.08333333333333 0.41666666666667 0.35072952670262 32.065 > 65 70 S 0.33333333333333 0.41666666666667 0.35072952670262 32.065 > 65 71 S 0.58333333333333 0.41666666666667 0.35072952670262 32.065 > 65 72 S 0.83333333333333 0.41666666666667 0.35072952670262 32.065 > 65 73 S 0.08333333333333 0.66666666666667 0.35072952670262 32.065 > 65 74 S 0.33333333333333 0.66666666666667 0.35072952670262 32.065 > 65 75 S 0.58333333333333 0.66666666666667 0.35072952670262 32.065 > 65 76 S 0.83333333333333 0.66666666666667 0.35072952670262 32.065 > 65 77 S 0.08333333333333 0.91666666666667 0.35072952670262 32.065 > 65 78 S 0.33333333333333 0.91666666666667 0.35072952670262 32.065 > 65 79 S 0.58333333333333 0.91666666666667 0.35072952670262 32.065 > 65 80 S 0.83333333333333 0.91666666666667 0.35072952670262 32.065 > 65 81 S 0.08333333333333 0.16666666666667 0.85072952670262 32.065 > 65 82 S 0.33333333333333 0.16666666666667 0.85072952670262 32.065 > 65 83 S 0.58333333333333 0.16666666666667 0.85072952670262 32.065 > 65 84 S 0.83333333333333 0.16666666666667 0.85072952670262 32.065 > 65 85 S 0.08333333333333 0.41666666666667 0.85072952670262 32.065 > 65 86 S 0.33333333333333 0.41666666666667 0.85072952670262 32.065 > 65 87 S 0.58333333333333 0.41666666666667 0.85072952670262 32.065 > 65 88 S 0.83333333333333 0.41666666666667 0.85072952670262 32.065 > 65 89 S 0.08333333333333 0.66666666666667 0.85072952670262 32.065 > 65 90 S 0.33333333333333 0.66666666666667 0.85072952670262 32.065 > 65 91 S 0.58333333333333 0.66666666666667 0.85072952670262 32.065 > 65 92 S 0.83333333333333 0.66666666666667 0.85072952670262 32.065 > 65 93 S 0.08333333333333 0.91666666666667 0.85072952670262 32.065 > 65 94 S 0.33333333333333 0.91666666666667 0.85072952670262 32.065 > 65 95 S 0.58333333333333 0.91666666666667 0.85072952670262 32.065 > 65 96 S 0.83333333333333 0.91666666666667 0.85072952670262 32.065 > 65 97 S 0.16666666666667 0.08333333333333 0.14927047329738 32.065 > 97 98 S 0.41666666666667 0.08333333333333 0.14927047329738 32.065 > 97 99 S 0.66666666666667 0.08333333333333 0.14927047329738 32.065 > 97 100 S 0.91666666666667 0.08333333333333 0.14927047329738 32.065 > 97 101 S 0.16666666666667 0.33333333333333 0.14927047329738 32.065 > 97 102 S 0.41666666666667 0.33333333333333 0.14927047329738 32.065 > 97 103 S 0.66666666666667 0.33333333333333 0.14927047329738 32.065 > 97 104 S 0.91666666666667 0.33333333333333 0.14927047329738 32.065 > 97 105 S 0.16666666666667 0.58333333333333 0.14927047329738 32.065 > 97 106 S 0.41666666666667 0.58333333333333 0.14927047329738 32.065 > 97 107 S 0.66666666666667 0.58333333333333 0.14927047329738 32.065 > 97 108 S 0.91666666666667 0.58333333333333 0.14927047329738 32.065 > 97 109 S 0.16666666666667 0.83333333333333 0.14927047329738 32.065 > 97 110 S 0.41666666666667 0.83333333333333 0.14927047329738 32.065 > 97 111 S 0.66666666666667 0.83333333333333 0.14927047329738 32.065 > 97 112 S 0.91666666666667 0.83333333333333 0.14927047329738 32.065 > 97 113 S 0.16666666666667 0.08333333333333 0.64927047329738 32.065 > 97 114 S 0.41666666666667 0.08333333333333 0.64927047329738 32.065 > 97 115 S 0.66666666666667 0.08333333333333 0.64927047329738 32.065 > 97 116 S 0.91666666666667 0.08333333333333 0.64927047329738 32.065 > 97 117 S 0.16666666666667 0.33333333333333 0.64927047329738 32.065 > 97 118 S 0.41666666666667 0.33333333333333 0.64927047329738 32.065 > 97 119 S 0.66666666666667 0.33333333333333 0.64927047329738 32.065 > 97 120 S 0.91666666666667 0.33333333333333 0.64927047329738 32.065 > 97 121 S 0.16666666666667 0.58333333333333 0.64927047329738 32.065 > 97 122 S 0.41666666666667 0.58333333333333 0.64927047329738 32.065 > 97 123 S 0.66666666666667 0.58333333333333 0.64927047329738 32.065 > 97 124 S 0.91666666666667 0.58333333333333 0.64927047329738 32.065 > 97 125 S 0.16666666666667 0.83333333333333 0.64927047329738 32.065 > 97 126 S 0.41666666666667 0.83333333333333 0.64927047329738 32.065 > 97 127 S 0.66666666666667 0.83333333333333 0.64927047329738 32.065 > 97 128 S 0.91666666666667 0.83333333333333 0.64927047329738 32.065 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 22.2375064 0.0000000 0.0000000 0.0000000 22.2375064 0.0000000 0.0000000 0.0000000 13.5664001 -------------------------- Born effective charges -------------------------- 1 Li 1.0174231 0.0000000 0.0000000 0.0000000 1.0174231 0.0000000 0.0000000 0.0000000 2.0089782 2 Co 1.2572491 0.0000000 0.0000000 0.0000000 1.2572491 0.0000000 0.0000000 0.0000000 -0.1997228 3 S -1.1373361 0.0000000 0.0000000 0.0000000 -1.1373361 0.0000000 0.0000000 0.0000000 -0.9046277 4 S -1.1373361 0.0000000 0.0000000 0.0000000 -1.1373361 0.0000000 0.0000000 0.0000000 -0.9046277 ---------------------------------------------------------------------------- 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[ 33, 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[ 65, 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: 0.00000055 (zzz) 0.00000055 (zzz) 0.00000055 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:16:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:16:14]------------------------- 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): [4 4 2] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.369671359928614 0.000000000000000 0.000000000000000 b -1.684835679964307 2.918221000103037 0.000000000000000 c 0.000000000000000 0.000000000000000 5.572152630000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 2 Co 0.00000000000000 0.00000000000000 0.50000000000000 58.933 3 S 0.33333333333333 0.66666666666667 0.70145905340524 32.065 4 S 0.66666666666667 0.33333333333333 0.29854094659476 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.478685439714456 0.000000000000000 0.000000000000000 b -6.739342719857228 11.672884000412148 0.000000000000000 c 0.000000000000000 0.000000000000000 11.144305259999999 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 1 2 Li 0.25000000000000 0.00000000000000 0.00000000000000 6.941 > 1 3 Li 0.50000000000000 0.00000000000000 0.00000000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.00000000000000 6.941 > 1 5 Li 0.00000000000000 0.25000000000000 0.00000000000000 6.941 > 1 6 Li 0.25000000000000 0.25000000000000 0.00000000000000 6.941 > 1 7 Li 0.50000000000000 0.25000000000000 0.00000000000000 6.941 > 1 8 Li 0.75000000000000 0.25000000000000 0.00000000000000 6.941 > 1 9 Li 0.00000000000000 0.50000000000000 0.00000000000000 6.941 > 1 10 Li 0.25000000000000 0.50000000000000 0.00000000000000 6.941 > 1 11 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 1 12 Li 0.75000000000000 0.50000000000000 0.00000000000000 6.941 > 1 13 Li 0.00000000000000 0.75000000000000 0.00000000000000 6.941 > 1 14 Li 0.25000000000000 0.75000000000000 0.00000000000000 6.941 > 1 15 Li 0.50000000000000 0.75000000000000 0.00000000000000 6.941 > 1 16 Li 0.75000000000000 0.75000000000000 0.00000000000000 6.941 > 1 17 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 1 18 Li 0.25000000000000 0.00000000000000 0.50000000000000 6.941 > 1 19 Li 0.50000000000000 0.00000000000000 0.50000000000000 6.941 > 1 20 Li 0.75000000000000 0.00000000000000 0.50000000000000 6.941 > 1 21 Li 0.00000000000000 0.25000000000000 0.50000000000000 6.941 > 1 22 Li 0.25000000000000 0.25000000000000 0.50000000000000 6.941 > 1 23 Li 0.50000000000000 0.25000000000000 0.50000000000000 6.941 > 1 24 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 > 1 25 Li 0.00000000000000 0.50000000000000 0.50000000000000 6.941 > 1 26 Li 0.25000000000000 0.50000000000000 0.50000000000000 6.941 > 1 27 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 1 28 Li 0.75000000000000 0.50000000000000 0.50000000000000 6.941 > 1 29 Li 0.00000000000000 0.75000000000000 0.50000000000000 6.941 > 1 30 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 > 1 31 Li 0.50000000000000 0.75000000000000 0.50000000000000 6.941 > 1 32 Li 0.75000000000000 0.75000000000000 0.50000000000000 6.941 > 1 33 Co 0.00000000000000 0.00000000000000 0.25000000000000 58.933 > 33 34 Co 0.25000000000000 0.00000000000000 0.25000000000000 58.933 > 33 35 Co 0.50000000000000 0.00000000000000 0.25000000000000 58.933 > 33 36 Co 0.75000000000000 0.00000000000000 0.25000000000000 58.933 > 33 37 Co 0.00000000000000 0.25000000000000 0.25000000000000 58.933 > 33 38 Co 0.25000000000000 0.25000000000000 0.25000000000000 58.933 > 33 39 Co 0.50000000000000 0.25000000000000 0.25000000000000 58.933 > 33 40 Co 0.75000000000000 0.25000000000000 0.25000000000000 58.933 > 33 41 Co 0.00000000000000 0.50000000000000 0.25000000000000 58.933 > 33 42 Co 0.25000000000000 0.50000000000000 0.25000000000000 58.933 > 33 43 Co 0.50000000000000 0.50000000000000 0.25000000000000 58.933 > 33 44 Co 0.75000000000000 0.50000000000000 0.25000000000000 58.933 > 33 45 Co 0.00000000000000 0.75000000000000 0.25000000000000 58.933 > 33 46 Co 0.25000000000000 0.75000000000000 0.25000000000000 58.933 > 33 47 Co 0.50000000000000 0.75000000000000 0.25000000000000 58.933 > 33 48 Co 0.75000000000000 0.75000000000000 0.25000000000000 58.933 > 33 49 Co 0.00000000000000 0.00000000000000 0.75000000000000 58.933 > 33 50 Co 0.25000000000000 0.00000000000000 0.75000000000000 58.933 > 33 51 Co 0.50000000000000 0.00000000000000 0.75000000000000 58.933 > 33 52 Co 0.75000000000000 0.00000000000000 0.75000000000000 58.933 > 33 53 Co 0.00000000000000 0.25000000000000 0.75000000000000 58.933 > 33 54 Co 0.25000000000000 0.25000000000000 0.75000000000000 58.933 > 33 55 Co 0.50000000000000 0.25000000000000 0.75000000000000 58.933 > 33 56 Co 0.75000000000000 0.25000000000000 0.75000000000000 58.933 > 33 57 Co 0.00000000000000 0.50000000000000 0.75000000000000 58.933 > 33 58 Co 0.25000000000000 0.50000000000000 0.75000000000000 58.933 > 33 59 Co 0.50000000000000 0.50000000000000 0.75000000000000 58.933 > 33 60 Co 0.75000000000000 0.50000000000000 0.75000000000000 58.933 > 33 61 Co 0.00000000000000 0.75000000000000 0.75000000000000 58.933 > 33 62 Co 0.25000000000000 0.75000000000000 0.75000000000000 58.933 > 33 63 Co 0.50000000000000 0.75000000000000 0.75000000000000 58.933 > 33 64 Co 0.75000000000000 0.75000000000000 0.75000000000000 58.933 > 33 65 S 0.08333333333333 0.16666666666667 0.35072952670262 32.065 > 65 66 S 0.33333333333333 0.16666666666667 0.35072952670262 32.065 > 65 67 S 0.58333333333333 0.16666666666667 0.35072952670262 32.065 > 65 68 S 0.83333333333333 0.16666666666667 0.35072952670262 32.065 > 65 69 S 0.08333333333333 0.41666666666667 0.35072952670262 32.065 > 65 70 S 0.33333333333333 0.41666666666667 0.35072952670262 32.065 > 65 71 S 0.58333333333333 0.41666666666667 0.35072952670262 32.065 > 65 72 S 0.83333333333333 0.41666666666667 0.35072952670262 32.065 > 65 73 S 0.08333333333333 0.66666666666667 0.35072952670262 32.065 > 65 74 S 0.33333333333333 0.66666666666667 0.35072952670262 32.065 > 65 75 S 0.58333333333333 0.66666666666667 0.35072952670262 32.065 > 65 76 S 0.83333333333333 0.66666666666667 0.35072952670262 32.065 > 65 77 S 0.08333333333333 0.91666666666667 0.35072952670262 32.065 > 65 78 S 0.33333333333333 0.91666666666667 0.35072952670262 32.065 > 65 79 S 0.58333333333333 0.91666666666667 0.35072952670262 32.065 > 65 80 S 0.83333333333333 0.91666666666667 0.35072952670262 32.065 > 65 81 S 0.08333333333333 0.16666666666667 0.85072952670262 32.065 > 65 82 S 0.33333333333333 0.16666666666667 0.85072952670262 32.065 > 65 83 S 0.58333333333333 0.16666666666667 0.85072952670262 32.065 > 65 84 S 0.83333333333333 0.16666666666667 0.85072952670262 32.065 > 65 85 S 0.08333333333333 0.41666666666667 0.85072952670262 32.065 > 65 86 S 0.33333333333333 0.41666666666667 0.85072952670262 32.065 > 65 87 S 0.58333333333333 0.41666666666667 0.85072952670262 32.065 > 65 88 S 0.83333333333333 0.41666666666667 0.85072952670262 32.065 > 65 89 S 0.08333333333333 0.66666666666667 0.85072952670262 32.065 > 65 90 S 0.33333333333333 0.66666666666667 0.85072952670262 32.065 > 65 91 S 0.58333333333333 0.66666666666667 0.85072952670262 32.065 > 65 92 S 0.83333333333333 0.66666666666667 0.85072952670262 32.065 > 65 93 S 0.08333333333333 0.91666666666667 0.85072952670262 32.065 > 65 94 S 0.33333333333333 0.91666666666667 0.85072952670262 32.065 > 65 95 S 0.58333333333333 0.91666666666667 0.85072952670262 32.065 > 65 96 S 0.83333333333333 0.91666666666667 0.85072952670262 32.065 > 65 97 S 0.16666666666667 0.08333333333333 0.14927047329738 32.065 > 97 98 S 0.41666666666667 0.08333333333333 0.14927047329738 32.065 > 97 99 S 0.66666666666667 0.08333333333333 0.14927047329738 32.065 > 97 100 S 0.91666666666667 0.08333333333333 0.14927047329738 32.065 > 97 101 S 0.16666666666667 0.33333333333333 0.14927047329738 32.065 > 97 102 S 0.41666666666667 0.33333333333333 0.14927047329738 32.065 > 97 103 S 0.66666666666667 0.33333333333333 0.14927047329738 32.065 > 97 104 S 0.91666666666667 0.33333333333333 0.14927047329738 32.065 > 97 105 S 0.16666666666667 0.58333333333333 0.14927047329738 32.065 > 97 106 S 0.41666666666667 0.58333333333333 0.14927047329738 32.065 > 97 107 S 0.66666666666667 0.58333333333333 0.14927047329738 32.065 > 97 108 S 0.91666666666667 0.58333333333333 0.14927047329738 32.065 > 97 109 S 0.16666666666667 0.83333333333333 0.14927047329738 32.065 > 97 110 S 0.41666666666667 0.83333333333333 0.14927047329738 32.065 > 97 111 S 0.66666666666667 0.83333333333333 0.14927047329738 32.065 > 97 112 S 0.91666666666667 0.83333333333333 0.14927047329738 32.065 > 97 113 S 0.16666666666667 0.08333333333333 0.64927047329738 32.065 > 97 114 S 0.41666666666667 0.08333333333333 0.64927047329738 32.065 > 97 115 S 0.66666666666667 0.08333333333333 0.64927047329738 32.065 > 97 116 S 0.91666666666667 0.08333333333333 0.64927047329738 32.065 > 97 117 S 0.16666666666667 0.33333333333333 0.64927047329738 32.065 > 97 118 S 0.41666666666667 0.33333333333333 0.64927047329738 32.065 > 97 119 S 0.66666666666667 0.33333333333333 0.64927047329738 32.065 > 97 120 S 0.91666666666667 0.33333333333333 0.64927047329738 32.065 > 97 121 S 0.16666666666667 0.58333333333333 0.64927047329738 32.065 > 97 122 S 0.41666666666667 0.58333333333333 0.64927047329738 32.065 > 97 123 S 0.66666666666667 0.58333333333333 0.64927047329738 32.065 > 97 124 S 0.91666666666667 0.58333333333333 0.64927047329738 32.065 > 97 125 S 0.16666666666667 0.83333333333333 0.64927047329738 32.065 > 97 126 S 0.41666666666667 0.83333333333333 0.64927047329738 32.065 > 97 127 S 0.66666666666667 0.83333333333333 0.64927047329738 32.065 > 97 128 S 0.91666666666667 0.83333333333333 0.64927047329738 32.065 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 22.2375064 0.0000000 0.0000000 0.0000000 22.2375064 0.0000000 0.0000000 0.0000000 13.5664001 -------------------------- Born effective charges -------------------------- 1 Li 1.0174231 0.0000000 0.0000000 0.0000000 1.0174231 0.0000000 0.0000000 0.0000000 2.0089782 2 Co 1.2572491 0.0000000 0.0000000 0.0000000 1.2572491 0.0000000 0.0000000 0.0000000 -0.1997228 3 S -1.1373361 0.0000000 0.0000000 0.0000000 -1.1373361 0.0000000 0.0000000 0.0000000 -0.9046277 4 S -1.1373361 0.0000000 0.0000000 0.0000000 -1.1373361 0.0000000 0.0000000 0.0000000 -0.9046277 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000055 (zzz) 0.00000055 (zzz) 0.00000055 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 17 17 9 ] 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: 1.09, Number of G-points: 313, Lambda: 0.50 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/261) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 261 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 6.745 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/261) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 27.632 15.953 0.988) 31.921 0.829 ( 35.627 20.569 -3.441) 41.282 1.422 ( 60.726 35.060 1.437) 70.135 6.771 ( 2.152 1.243 1.524) 2.915 7.033 ( 3.727 2.152 -1.567) 4.580 8.675 ( -2.334 -1.347 1.904) 3.299 8.727 ( 1.501 0.867 -1.997) 2.644 9.558 ( -1.059 -0.611 -0.023) 1.223 9.989 ( -2.147 -1.239 -0.267) 2.493 10.274 ( 6.007 3.468 0.961) 7.003 10.754 ( -1.217 -0.703 0.926) 1.683 11.060 ( 1.466 0.846 -1.370) 2.178 ======================= Grid point 2 (3/261) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 28.975 16.729 1.080) 33.475 1.657 ( 35.364 20.418 -2.574) 40.916 2.817 ( 58.919 34.017 0.548) 68.036 6.841 ( 3.756 2.168 2.427) 4.970 7.156 ( 6.634 3.830 -2.338) 8.009 8.627 ( -1.501 -0.867 2.253) 2.843 8.770 ( 1.902 1.098 -3.477) 4.113 9.508 ( -3.111 -1.796 -0.441) 3.620 9.909 ( -4.803 -2.773 -0.623) 5.581 10.454 ( 8.653 4.996 2.589) 10.321 10.714 ( -2.126 -1.227 1.695) 2.983 11.105 ( 2.226 1.285 -2.012) 3.264 ======================= Grid point 3 (4/261) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 30.762 17.760 1.669) 35.560 2.469 ( 34.235 19.766 -1.572) 39.562 4.153 ( 55.537 32.064 -0.752) 64.133 6.938 ( 4.453 2.571 2.561) 5.744 7.333 ( 8.330 4.809 -1.937) 9.811 8.603 ( -0.899 -0.519 0.851) 1.342 8.801 ( 0.380 0.220 -4.221) 4.244 9.430 ( -3.132 -1.808 -1.062) 3.770 9.761 ( -8.052 -4.649 -0.643) 9.320 10.645 ( 7.349 4.243 3.639) 9.234 10.662 ( -2.174 -1.255 2.182) 3.326 11.153 ( 1.713 0.989 -1.412) 2.430 ======================= Grid point 4 (5/261) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 32.080 18.521 2.980) 37.162 3.240 ( 31.760 18.337 -0.755) 36.681 5.385 ( 49.794 28.748 -2.092) 57.535 7.041 ( 4.246 2.451 2.234) 5.388 7.537 ( 9.178 5.299 -0.675) 10.619 8.561 ( -3.192 -1.843 -1.983) 4.185 8.771 ( -3.265 -1.885 -4.353) 5.759 9.377 ( -1.429 -0.825 -0.539) 1.736 9.534 ( -11.330 -6.541 -0.986) 13.120 10.624 ( -0.842 -0.486 2.343) 2.537 10.789 ( 5.107 2.948 3.241) 6.729 11.172 ( -0.377 -0.218 0.421) 0.606 ======================= Grid point 5 (6/261) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 31.690 18.296 4.786) 36.904 3.936 ( 27.806 16.054 -0.244) 32.109 6.436 ( 39.333 22.709 -2.073) 45.465 7.131 ( 3.461 1.998 1.871) 4.412 7.765 ( 10.799 6.235 -0.791) 12.495 8.452 ( -5.818 -3.359 -4.230) 7.939 8.641 ( -7.799 -4.503 -4.178) 9.927 9.243 ( -13.035 -7.526 -0.562) 15.062 9.350 ( -1.529 -0.883 -0.405) 1.811 10.630 ( 1.328 0.767 2.232) 2.708 10.895 ( 4.321 2.495 1.251) 5.144 11.126 ( -3.705 -2.139 3.055) 5.257 ======================= Grid point 6 (7/261) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.173 ( 28.271 16.322 6.277) 33.242 4.523 ( 22.398 12.931 0.000) 25.863 7.139 ( 19.747 11.401 4.425) 23.227 7.201 ( 2.497 1.442 1.712) 3.353 8.030 ( 8.547 4.934 -15.690) 18.536 8.348 ( 0.814 0.470 3.209) 3.344 8.420 ( -10.685 -6.169 -3.876) 12.933 8.957 ( -10.510 -6.068 -2.059) 12.309 9.302 ( -2.008 -1.159 1.284) 2.650 10.680 ( 2.760 1.593 1.902) 3.711 10.958 ( -4.137 -2.389 -2.089) 5.214 11.035 ( 0.990 0.571 6.417) 6.518 ======================= Grid point 7 (8/261) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.750 ( 20.495 11.833 6.029) 24.422 4.965 ( 15.211 8.782 0.068) 17.564 7.248 ( 1.588 0.917 1.592) 2.428 7.378 ( 2.700 1.559 12.271) 12.661 8.026 ( -3.536 -2.042 -21.566) 21.949 8.174 ( -9.774 -5.643 -3.184) 11.727 8.513 ( 4.006 2.313 -1.253) 4.792 8.810 ( -1.546 -0.893 1.325) 2.223 9.343 ( 8.317 4.802 1.017) 9.658 10.742 ( -11.813 -6.820 2.853) 13.935 10.745 ( 2.562 1.479 1.317) 3.238 11.125 ( 4.056 2.342 1.146) 4.822 ======================= Grid point 8 (9/261) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.088 ( 7.696 4.443 2.653) 9.274 5.211 ( 5.569 3.215 0.034) 6.430 7.274 ( 0.603 0.348 0.785) 1.049 7.368 ( -1.428 -0.824 5.851) 6.079 7.979 ( -0.620 -0.358 -8.466) 8.496 8.003 ( -4.132 -2.386 -1.377) 4.966 8.502 ( -1.540 -0.889 -2.743) 3.269 8.789 ( -0.968 -0.559 1.806) 2.124 9.646 ( 12.257 7.077 -0.695) 14.170 10.461 ( -10.047 -5.801 2.163) 11.801 10.789 ( 1.019 0.588 0.476) 1.269 11.194 ( 1.620 0.935 0.220) 1.883 ======================= Grid point 18 (10/261) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 16.073 27.839 0.000) 32.146 1.464 ( 21.634 37.470 0.000) 43.267 2.435 ( 33.842 58.616 0.000) 67.684 6.819 ( 1.981 3.431 0.000) 3.962 7.117 ( 3.444 5.965 0.000) 6.888 8.630 ( -1.464 -2.536 0.000) 2.928 8.765 ( 1.516 2.626 0.000) 3.032 9.526 ( -1.542 -2.671 0.000) 3.084 9.937 ( -2.299 -3.982 0.000) 4.598 10.399 ( 4.775 8.271 0.000) 9.550 10.729 ( -0.990 -1.714 0.000) 1.979 11.089 ( 1.129 1.956 0.000) 2.259 ======================= Grid point 19 (11/261) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 23.052 23.890 0.603) 33.204 2.251 ( 25.022 36.135 -0.893) 43.962 3.659 ( 43.711 47.017 -0.138) 64.197 6.903 ( 3.278 3.921 1.388) 5.296 7.265 ( 5.924 6.798 -1.183) 9.094 8.586 ( -0.505 -2.965 0.498) 3.049 8.820 ( 0.825 3.525 -1.838) 4.060 9.457 ( -2.652 -3.119 -0.488) 4.123 9.824 ( -5.166 -5.736 -0.375) 7.728 10.575 ( 5.994 6.230 1.787) 8.828 10.689 ( -1.704 -1.024 1.214) 2.329 11.132 ( 1.657 1.278 -1.000) 2.320 ======================= Grid point 20 (12/261) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 27.638 20.985 1.546) 34.737 3.043 ( 23.847 35.401 -0.488) 42.687 4.872 ( 45.405 37.937 -1.247) 59.181 7.005 ( 3.639 4.048 1.722) 5.709 7.451 ( 7.355 6.788 -0.834) 10.043 8.538 ( -0.615 -5.484 -1.082) 5.623 8.848 ( -2.355 3.779 -2.623) 5.168 9.385 ( -1.858 -2.792 -0.807) 3.450 9.640 ( -8.471 -7.223 -0.679) 11.153 10.639 ( -1.209 -0.728 1.717) 2.223 10.735 ( 4.659 4.018 2.859) 6.784 11.162 ( 0.877 -0.233 -0.391) 0.988 ======================= Grid point 21 (13/261) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.089 ( 30.544 18.180 3.092) 35.679 3.782 ( 20.508 33.771 0.069) 39.510 5.978 ( 41.473 29.131 -2.223) 50.730 7.106 ( 3.086 3.943 1.495) 5.226 7.655 ( 8.546 6.253 0.043) 10.590 8.444 ( -2.182 -8.087 -3.145) 8.948 8.793 ( -8.001 2.388 -3.049) 8.889 9.337 ( -0.192 -3.501 -0.281) 3.517 9.390 ( -11.484 -7.129 -1.329) 13.582 10.621 ( -0.071 -0.154 2.116) 2.123 10.844 ( 4.280 2.461 2.094) 5.363 11.146 ( -1.478 -2.378 1.418) 3.139 ======================= Grid point 22 (14/261) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( 30.729 14.993 4.802) 34.527 4.427 ( 15.728 30.788 0.481) 34.576 6.845 ( 28.600 16.722 -0.349) 33.131 7.192 ( 2.481 4.144 1.353) 5.015 7.882 ( 10.712 4.538 -4.375) 12.429 8.327 ( -1.133 -5.898 -1.181) 6.121 8.614 ( -12.975 -0.789 -3.613) 13.492 9.116 ( -12.426 -4.389 -3.607) 13.663 9.296 ( -0.334 -4.086 1.551) 4.383 10.635 ( 2.226 -0.879 2.341) 3.348 10.941 ( 3.941 1.892 -0.735) 4.433 11.058 ( -4.294 -4.377 4.463) 7.583 ======================= Grid point 23 (15/261) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.437 ( 26.756 11.098 5.642) 29.510 4.939 ( 9.584 26.298 0.704) 27.999 7.187 ( 4.708 -1.014 1.452) 5.030 7.334 ( 5.743 4.935 7.201) 10.449 7.998 ( 1.380 -4.419 -16.464) 17.102 8.342 ( -10.618 -2.967 -1.838) 11.177 8.446 ( 8.109 7.613 0.935) 11.162 8.898 ( -8.843 0.093 -3.728) 9.597 9.269 ( 2.531 -1.189 1.928) 3.396 10.670 ( 3.452 -3.375 2.965) 5.665 10.864 ( -8.343 -5.515 0.712) 10.027 11.062 ( 4.720 1.059 2.107) 5.276 ======================= Grid point 24 (16/261) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.916 ( 17.143 5.756 4.230) 18.572 5.275 ( 1.479 20.257 0.569) 20.319 7.212 ( 2.676 -4.395 1.374) 5.326 7.361 ( -0.910 -3.979 5.652) 6.972 7.974 ( 0.060 -0.780 -5.462) 5.518 8.130 ( -9.637 1.128 -6.697) 11.790 8.565 ( -2.594 2.332 -4.017) 5.320 8.830 ( -2.633 2.567 1.374) 3.925 9.458 ( 15.227 5.993 -0.383) 16.368 10.556 ( -8.942 -10.467 4.152) 14.379 10.760 ( 1.251 -0.946 -0.061) 1.569 11.143 ( 3.933 -0.812 0.485) 4.045 ======================= Grid point 25 (17/261) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.105 ( 1.564 -2.709 -0.000) 3.128 5.389 ( -8.104 14.036 -0.000) 16.208 7.211 ( 3.381 -5.856 -0.000) 6.762 7.318 ( 2.135 -3.698 -0.000) 4.270 7.969 ( 0.156 -0.270 0.000) 0.312 8.056 ( -4.157 7.201 0.000) 8.314 8.537 ( -1.764 3.056 -0.000) 3.529 8.816 ( -1.936 3.353 0.000) 3.872 9.695 ( 1.635 -2.832 0.000) 3.270 10.365 ( 1.641 -2.843 -0.000) 3.283 10.773 ( 1.259 -2.180 -0.000) 2.517 11.174 ( 1.652 -2.862 -0.000) 3.305 ======================= Grid point 37 (18/261) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 16.238 28.125 0.000) 32.476 3.031 ( 23.015 39.863 0.000) 46.030 4.649 ( 28.958 50.157 0.000) 57.917 6.994 ( 2.872 4.975 0.000) 5.744 7.421 ( 4.890 8.470 0.000) 9.780 8.512 ( -2.550 -4.417 0.000) 5.101 8.891 ( 1.709 2.961 0.000) 3.419 9.387 ( -2.146 -3.717 0.000) 4.292 9.678 ( -5.007 -8.673 0.000) 10.015 10.644 ( -0.176 -0.306 0.000) 0.353 10.715 ( 2.538 4.397 0.000) 5.077 11.151 ( 0.247 0.427 0.000) 0.493 ======================= Grid point 38 (19/261) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 21.739 23.859 1.047) 32.294 3.820 ( 20.329 40.102 0.148) 44.961 5.644 ( 33.156 37.951 -0.964) 50.404 7.098 ( 3.055 4.957 0.516) 5.846 7.600 ( 6.009 7.810 0.127) 9.856 8.406 ( -2.800 -7.237 -1.212) 7.854 8.914 ( -2.715 1.852 -0.821) 3.387 9.306 ( -1.882 -5.334 -0.480) 5.676 9.484 ( -7.362 -7.584 -0.639) 10.589 10.625 ( -0.871 -1.026 0.946) 1.645 10.805 ( 3.114 3.123 1.113) 4.549 11.141 ( -0.755 -1.947 0.291) 2.108 ======================= Grid point 39 (20/261) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 25.446 19.322 2.678) 32.063 4.529 ( 14.878 38.865 0.547) 41.619 6.525 ( 29.881 24.418 -1.512) 38.619 7.194 ( 2.387 4.417 0.358) 5.033 7.786 ( 6.847 6.864 -0.207) 9.697 8.283 ( -1.882 -7.198 -1.537) 7.597 8.805 ( -9.759 -2.017 -0.996) 10.015 9.209 ( -2.514 -8.646 -3.843) 9.789 9.302 ( -6.468 -1.406 0.980) 6.691 10.596 ( -0.054 -2.744 1.984) 3.387 10.892 ( 3.718 2.496 0.560) 4.513 11.077 ( -3.033 -4.502 1.606) 5.661 ======================= Grid point 40 (21/261) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.092 ( 26.111 14.442 4.296) 30.147 5.110 ( 8.285 35.883 0.798) 36.836 7.069 ( 11.461 5.493 -0.805) 12.735 7.285 ( 4.412 3.564 2.324) 6.129 7.941 ( 3.154 2.521 -8.115) 9.064 8.281 ( 8.208 1.040 4.668) 9.499 8.575 ( -11.969 -2.186 -2.511) 12.423 9.042 ( -6.840 -5.124 -7.259) 11.213 9.241 ( -1.235 0.651 2.703) 3.042 10.573 ( 2.069 -5.369 3.338) 6.652 10.927 ( -5.104 -5.160 -1.642) 7.441 10.995 ( 3.119 -0.176 3.432) 4.641 ======================= Grid point 41 (22/261) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.638 ( 21.900 8.673 4.665) 24.012 5.531 ( 0.521 31.716 0.783) 31.730 7.132 ( 0.688 -4.683 -2.078) 5.169 7.328 ( -0.486 -4.931 4.223) 6.510 7.981 ( 0.097 2.896 -3.877) 4.840 8.315 ( -8.659 1.452 -2.495) 9.127 8.558 ( 6.164 2.589 -0.333) 6.694 8.916 ( -3.533 0.170 -5.345) 6.409 9.301 ( 7.094 5.095 0.486) 8.748 10.530 ( -0.532 -9.929 6.065) 11.647 10.760 ( -4.586 -5.135 -1.541) 7.055 11.058 ( 3.908 -1.723 0.751) 4.336 ======================= Grid point 42 (23/261) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.982 ( 10.606 0.626 2.239) 10.857 5.755 ( -8.985 26.901 0.361) 28.364 7.084 ( 2.234 -7.704 -1.171) 8.106 7.243 ( 0.070 -6.636 1.197) 6.743 7.994 ( -1.865 2.756 1.204) 3.538 8.237 ( -6.122 8.730 -2.799) 11.024 8.580 ( -1.331 -0.699 -1.416) 2.065 8.897 ( -1.864 2.744 -0.618) 3.375 9.562 ( 11.789 3.997 -1.771) 12.573 10.340 ( -5.191 -10.191 3.955) 12.102 10.708 ( 2.082 -4.112 -0.767) 4.672 11.091 ( 3.326 -4.207 0.155) 5.365 ======================= Grid point 55 (24/261) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 14.905 25.816 0.000) 29.809 4.611 ( 21.632 37.468 0.000) 43.265 6.372 ( 19.254 33.349 0.000) 38.508 7.195 ( 2.511 4.350 0.000) 5.022 7.765 ( 4.995 8.652 0.000) 9.990 8.261 ( -3.870 -6.702 0.000) 7.739 8.888 ( -2.869 -4.970 0.000) 5.739 9.168 ( -4.560 -7.897 0.000) 9.119 9.363 ( -2.303 -3.989 0.000) 4.607 10.583 ( -1.846 -3.198 0.000) 3.692 10.871 ( 2.051 3.553 0.000) 4.103 11.080 ( -2.482 -4.300 0.000) 4.965 ======================= Grid point 56 (25/261) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.864 ( 18.767 20.018 1.645) 27.489 5.302 ( 14.111 36.923 0.410) 39.530 6.930 ( 14.266 15.029 -0.936) 20.743 7.259 ( 1.414 1.230 0.303) 1.898 7.943 ( 4.033 8.995 -1.958) 10.051 8.172 ( 2.011 -3.510 1.570) 4.340 8.733 ( -8.470 -3.711 -0.066) 9.248 9.011 ( -2.182 -10.491 -2.334) 10.966 9.314 ( -2.565 1.886 -0.374) 3.206 10.507 ( -1.240 -5.832 1.581) 6.168 10.937 ( 1.249 1.149 -1.722) 2.418 10.966 ( -3.391 -6.092 2.353) 7.358 ======================= Grid point 57 (26/261) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.375 ( 19.609 13.477 3.135) 24.000 5.837 ( 5.220 35.338 0.625) 35.727 7.101 ( -0.740 -1.539 -4.104) 4.445 7.274 ( 1.111 -4.606 3.535) 5.911 8.034 ( -0.658 6.822 -3.492) 7.692 8.316 ( 10.486 1.458 3.916) 11.288 8.574 ( -6.985 2.447 -0.762) 7.440 8.900 ( 0.424 -7.600 -5.255) 9.250 9.318 ( -0.422 5.675 -0.651) 5.728 10.429 ( 0.223 -8.439 4.251) 9.452 10.790 ( -5.956 -7.880 -1.063) 9.935 10.985 ( 2.252 -1.565 0.734) 2.839 ======================= Grid point 58 (27/261) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.783 ( 14.646 5.710 2.965) 15.997 6.191 ( -4.383 32.973 0.471) 33.267 7.007 ( -2.517 -6.831 -3.861) 8.240 7.185 ( -2.015 -8.312 2.363) 8.873 8.084 ( -2.311 6.830 0.762) 7.251 8.405 ( -2.016 6.160 -0.851) 6.537 8.561 ( 1.065 -1.406 1.271) 2.174 8.878 ( 2.828 -3.920 -4.399) 6.535 9.454 ( 7.247 8.912 -2.564) 11.769 10.309 ( -3.350 -11.107 6.588) 13.341 10.640 ( -1.259 -6.922 -2.342) 7.415 10.993 ( 2.387 -4.489 0.308) 5.094 ======================= Grid point 59 (28/261) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.949 ( 1.978 -3.425 -0.000) 3.955 6.325 ( -16.404 28.412 -0.000) 32.807 6.941 ( 3.071 -5.319 -0.000) 6.142 7.112 ( 3.588 -6.215 0.000) 7.176 8.093 ( -3.871 6.704 0.000) 7.741 8.431 ( -5.410 9.371 -0.000) 10.821 8.547 ( 1.578 -2.734 -0.000) 3.157 8.885 ( 2.487 -4.308 0.000) 4.974 9.617 ( -0.937 1.623 0.000) 1.875 10.176 ( 3.303 -5.722 -0.000) 6.607 10.602 ( 3.501 -6.063 0.000) 7.001 10.989 ( 3.108 -5.383 -0.000) 6.216 ======================= Grid point 74 (29/261) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.266 ( 11.267 19.515 0.000) 22.534 5.984 ( 17.327 30.011 0.000) 34.654 7.111 ( 1.470 2.547 0.000) 2.941 7.225 ( -2.342 -4.057 0.000) 4.684 8.142 ( 4.746 8.220 0.000) 9.492 8.150 ( 1.682 2.914 0.000) 3.365 8.696 ( -0.104 -0.181 0.000) 0.208 8.814 ( -4.521 -7.830 0.000) 9.041 9.358 ( 1.507 2.610 0.000) 3.013 10.381 ( -3.616 -6.263 0.000) 7.232 10.803 ( -5.207 -9.018 0.000) 10.414 10.956 ( -0.209 -0.362 0.000) 0.419 ======================= Grid point 75 (30/261) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.631 ( 11.717 11.752 1.357) 16.651 6.489 ( 6.889 27.278 0.037) 28.135 7.040 ( -6.008 -3.430 -2.364) 7.311 7.143 ( -1.482 -6.173 1.581) 6.542 8.192 ( -1.557 7.668 -0.742) 7.860 8.323 ( 9.033 -0.905 1.777) 9.250 8.639 ( -6.239 2.758 2.328) 7.208 8.774 ( 3.974 -4.147 -4.447) 7.264 9.449 ( 4.002 7.433 -1.434) 8.563 10.256 ( -2.726 -8.358 3.266) 9.378 10.614 ( -4.877 -9.339 -1.230) 10.607 10.930 ( -0.143 -3.611 0.195) 3.620 ======================= Grid point 76 (31/261) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.872 ( 5.908 3.223 0.946) 6.796 6.744 ( -0.782 10.912 -1.718) 11.074 6.955 ( -1.338 4.080 3.273) 5.398 7.043 ( -7.897 3.388 -2.259) 8.885 8.223 ( -2.081 4.675 0.291) 5.125 8.430 ( 6.232 -5.099 0.306) 8.058 8.598 ( -3.753 5.876 1.621) 7.158 8.780 ( 1.936 -4.441 -2.562) 5.481 9.631 ( 5.012 8.350 -2.532) 10.063 10.106 ( -3.180 -8.814 4.129) 10.240 10.486 ( 0.882 -7.952 -1.413) 8.124 10.894 ( 1.381 -4.704 0.109) 4.904 ======================= Grid point 92 (32/261) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.833 ( 4.425 7.664 0.000) 8.850 6.772 ( 0.946 1.638 0.000) 1.891 6.929 ( -3.872 -6.707 0.000) 7.744 7.271 ( 10.231 17.721 0.000) 20.462 8.201 ( -4.014 -6.953 0.000) 8.029 8.361 ( 2.263 3.920 0.000) 4.527 8.671 ( 0.843 1.460 0.000) 1.685 8.743 ( -0.004 -0.007 0.000) 0.008 9.624 ( 5.674 9.828 0.000) 11.348 10.092 ( -4.732 -8.195 0.000) 9.463 10.435 ( -4.363 -7.557 0.000) 8.726 10.857 ( -1.776 -3.077 0.000) 3.553 ======================= Grid point 93 (33/261) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.915 ( -0.608 1.054 -0.000) 1.217 6.770 ( -0.319 0.552 -0.000) 0.638 6.850 ( 3.125 -5.413 0.000) 6.251 7.518 ( -14.401 24.944 -0.000) 28.803 8.079 ( 9.685 -16.775 0.000) 19.370 8.397 ( -0.771 1.336 0.000) 1.543 8.701 ( -1.915 3.318 -0.000) 3.831 8.739 ( 0.148 -0.257 -0.000) 0.297 9.780 ( -3.417 5.918 0.000) 6.834 9.958 ( 3.234 -5.602 0.000) 6.468 10.352 ( 2.439 -4.225 0.000) 4.878 10.823 ( 1.122 -1.944 -0.000) 2.245 ======================= Grid point 307 (34/261) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 0.000 30.439) 30.439 0.628 ( 0.000 -0.000 30.439) 30.439 0.984 ( 0.000 -0.000 47.766) 47.766 6.665 ( 0.000 0.000 -7.518) 7.518 6.665 ( 0.000 -0.000 -7.518) 7.518 8.758 ( 0.000 0.000 4.624) 4.624 8.758 ( 0.000 -0.000 4.624) 4.624 9.532 ( -0.000 0.000 -3.739) 3.739 9.980 ( -0.000 0.000 -2.872) 2.872 10.786 ( -0.000 0.000 1.723) 1.723 10.786 ( 0.000 -0.000 1.723) 1.723 11.941 ( 0.000 0.000 3.474) 3.474 ======================= Grid point 308 (35/261) ======================= q-point: ( 0.06 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 28.150 16.252 17.134) 36.744 1.001 ( 16.086 9.287 28.002) 33.602 1.663 ( 50.535 29.177 20.568) 61.872 6.718 ( 3.132 1.808 -6.501) 7.440 6.834 ( 8.926 5.153 -13.328) 16.848 8.741 ( 0.078 0.045 3.238) 3.239 8.769 ( -0.683 -0.394 6.626) 6.673 9.513 ( -1.776 -1.026 -4.451) 4.901 9.939 ( -1.909 -1.102 -1.702) 2.785 10.708 ( -4.361 -2.518 15.504) 16.301 10.787 ( -0.739 -0.427 2.187) 2.347 11.234 ( -19.077 -11.014 20.813) 30.306 ======================= Grid point 309 (36/261) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 22.641 13.072 13.983) 29.648 1.728 ( 33.664 19.436 9.285) 39.965 2.916 ( 54.818 31.649 8.557) 63.875 6.804 ( 4.100 2.367 -5.959) 7.610 7.030 ( 8.687 5.015 -9.317) 13.690 8.738 ( -1.724 -0.995 8.068) 8.310 8.756 ( 1.015 0.586 2.135) 2.435 9.450 ( -3.316 -1.915 -4.752) 6.103 9.894 ( -3.061 -1.767 -0.450) 3.563 10.676 ( 1.799 1.039 15.890) 16.026 10.754 ( -1.963 -1.133 2.147) 3.122 11.070 ( -0.664 -0.383 -0.886) 1.171 ======================= Grid point 310 (37/261) ======================= q-point: ( 0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 28.122 16.236 4.029) 32.722 2.518 ( 33.687 19.449 6.262) 39.399 4.169 ( 52.317 30.205 2.104) 60.447 6.902 ( 4.217 2.435 -6.062) 7.775 7.255 ( 10.659 6.154 -5.361) 13.425 8.684 ( -3.330 -1.923 6.429) 7.491 8.774 ( 0.160 0.093 1.661) 1.671 9.381 ( -2.101 -1.213 -2.776) 3.686 9.770 ( -7.616 -4.397 0.995) 8.851 10.702 ( -2.308 -1.332 1.697) 3.159 10.750 ( 3.560 2.055 6.197) 7.436 11.103 ( 2.646 1.527 -3.462) 4.617 ======================= Grid point 311 (38/261) ======================= q-point: ( 0.24 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 31.813 18.367 -0.434) 36.737 3.279 ( 31.432 18.147 4.592) 36.584 5.330 ( 46.958 27.111 -3.256) 54.320 6.995 ( 3.729 2.153 -6.649) 7.922 7.520 ( 11.825 6.827 -0.989) 13.690 8.572 ( -6.101 -3.523 2.760) 7.566 8.746 ( -2.921 -1.686 1.950) 3.896 9.356 ( -0.912 -0.527 -0.100) 1.058 9.554 ( -10.144 -5.857 1.872) 11.862 10.658 ( -1.206 -0.696 0.969) 1.697 10.817 ( 2.186 1.262 -0.743) 2.631 11.164 ( 2.093 1.208 -0.939) 2.593 ======================= Grid point 312 (39/261) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.503 ( 32.642 18.846 -1.286) 37.714 3.968 ( 27.524 15.891 3.427) 31.967 6.330 ( 38.405 22.173 -7.853) 45.037 7.073 ( 2.893 1.670 -7.485) 8.196 7.778 ( 9.046 5.223 1.771) 10.594 8.433 ( -4.318 -2.493 2.266) 5.476 8.630 ( -7.031 -4.059 2.986) 8.651 9.201 ( -12.407 -7.163 -2.175) 14.490 9.423 ( -1.183 -0.683 6.280) 6.427 10.653 ( 0.809 0.467 0.078) 0.937 10.860 ( 1.605 0.927 -4.498) 4.865 11.183 ( -0.606 -0.350 2.278) 2.383 ======================= Grid point 313 (40/261) ======================= q-point: ( 0.35 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.233 ( 29.220 16.870 -0.394) 33.743 4.549 ( 22.176 12.803 2.616) 25.739 7.090 ( 26.514 15.308 -10.115) 32.243 7.128 ( 1.840 1.062 -8.508) 8.769 7.830 ( -5.604 -3.235 -2.060) 6.791 8.432 ( -9.429 -5.444 4.766) 11.885 8.472 ( 7.471 4.313 8.129) 11.853 8.917 ( -9.809 -5.663 -2.175) 11.533 9.393 ( -1.374 -0.793 7.778) 7.938 10.690 ( 2.096 1.210 -0.925) 2.592 10.881 ( -0.667 -0.385 -5.191) 5.248 11.147 ( -1.626 -0.939 4.412) 4.795 ======================= Grid point 314 (41/261) ======================= q-point: ( 0.41 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.818 ( 19.941 11.513 0.549) 23.032 4.987 ( 15.054 8.691 2.111) 17.510 7.157 ( 0.542 0.313 -9.799) 9.819 7.540 ( 4.003 2.311 -23.597) 24.045 7.630 ( -0.781 -0.451 11.944) 11.978 8.223 ( -7.782 -4.493 7.269) 11.558 8.556 ( -1.650 -0.952 3.239) 3.757 8.869 ( 3.549 2.049 3.985) 5.716 9.424 ( 6.284 3.628 7.575) 10.490 10.738 ( 1.757 1.014 -2.013) 2.857 10.774 ( -8.686 -5.015 0.152) 10.031 11.150 ( 1.738 1.004 1.405) 2.450 ======================= Grid point 315 (42/261) ======================= q-point: ( 0.47 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.110 ( 4.281 2.471 -0.592) 4.978 5.230 ( 5.461 3.153 1.820) 6.563 7.154 ( -0.618 -0.357 -10.964) 10.987 7.320 ( -9.212 -5.318 -11.049) 15.337 7.866 ( 9.634 5.562 0.439) 11.133 8.104 ( -1.848 -1.067 9.794) 10.024 8.554 ( 2.645 1.527 5.009) 5.867 8.883 ( -1.698 -0.980 7.233) 7.494 9.668 ( 10.639 6.142 3.526) 12.781 10.526 ( -10.594 -6.116 4.009) 12.873 10.762 ( 0.181 0.104 -3.069) 3.076 11.190 ( 1.006 0.581 -0.598) 1.307 ======================= Grid point 316 (43/261) ======================= q-point: (-0.47 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.010 ( -12.174 -7.029 -4.952) 14.905 5.229 ( -5.598 -3.232 1.698) 6.683 7.136 ( -0.831 -0.480 -11.056) 11.098 7.186 ( -2.602 -1.502 -10.656) 11.071 8.067 ( 8.038 4.641 1.511) 9.404 8.146 ( 5.195 2.999 10.936) 12.473 8.656 ( 4.467 2.579 6.709) 8.462 8.853 ( 0.247 0.142 10.394) 10.398 9.685 ( -11.170 -6.449 3.599) 13.390 10.451 ( 6.108 3.526 1.307) 7.173 10.744 ( -1.696 -0.979 -3.876) 4.342 11.180 ( -1.970 -1.138 -1.178) 2.562 ======================= Grid point 317 (44/261) ======================= q-point: (-0.41 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.593 ( -22.579 -13.036 -9.168) 27.637 4.983 ( -15.055 -8.692 1.853) 17.483 7.115 ( -1.104 -0.638 -10.296) 10.375 7.151 ( -2.015 -1.163 -10.359) 10.617 8.245 ( 6.828 3.942 2.389) 8.238 8.325 ( 9.654 5.574 10.551) 15.349 8.642 ( -7.758 -4.479 4.355) 9.961 8.926 ( 4.745 2.739 17.265) 18.113 9.361 ( -10.180 -5.878 2.783) 12.080 10.673 ( 10.276 5.933 -3.682) 12.424 10.688 ( -2.930 -1.691 -4.234) 5.420 11.101 ( -4.553 -2.629 -1.300) 5.416 ======================= Grid point 318 (45/261) ======================= q-point: (-0.35 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.000 ( -27.737 -16.014 -10.393) 33.672 4.548 ( -21.936 -12.665 2.476) 25.450 6.992 ( -14.258 -8.232 -9.103) 18.813 7.078 ( -2.141 -1.236 -9.557) 9.872 8.188 ( -17.437 -10.067 -0.293) 20.137 8.480 ( 3.461 1.998 13.016) 13.615 8.565 ( 10.263 5.925 9.522) 15.203 9.049 ( 6.793 3.922 9.475) 12.300 9.326 ( 3.883 2.242 3.002) 5.396 10.618 ( -2.814 -1.624 -4.108) 5.237 10.859 ( 3.435 1.983 -9.204) 10.022 11.004 ( -1.478 -0.853 0.833) 1.899 ======================= Grid point 319 (46/261) ======================= q-point: (-0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( -29.617 -17.099 -8.707) 35.290 3.976 ( -26.925 -15.545 3.736) 31.313 6.403 ( -35.939 -20.750 -5.062) 41.807 7.013 ( -3.459 -1.997 -9.224) 10.052 7.805 ( -13.100 -7.563 2.777) 15.379 8.588 ( 3.996 2.307 8.385) 9.571 8.777 ( 7.505 4.333 8.578) 12.194 9.236 ( 7.929 4.578 0.884) 9.199 9.436 ( 5.465 3.155 6.549) 9.094 10.569 ( -1.151 -0.664 -3.614) 3.851 10.802 ( -4.653 -2.687 -7.845) 9.508 11.075 ( 4.091 2.362 -2.082) 5.162 ======================= Grid point 320 (47/261) ======================= q-point: (-0.24 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -29.065 -16.781 -4.605) 33.876 3.307 ( -30.364 -17.530 5.765) 35.532 5.399 ( -48.656 -28.092 -0.995) 56.192 6.920 ( -4.448 -2.568 -9.238) 10.570 7.549 ( -9.846 -5.685 0.624) 11.386 8.649 ( 1.234 0.713 6.346) 6.505 8.901 ( 3.062 1.768 7.955) 8.706 9.357 ( 2.768 1.598 -1.504) 3.533 9.608 ( 8.847 5.108 5.524) 11.614 10.571 ( 1.247 0.720 -2.839) 3.184 10.701 ( -3.905 -2.254 -5.283) 6.945 11.142 ( 1.629 0.940 -2.553) 3.170 ======================= Grid point 321 (48/261) ======================= q-point: (-0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -26.541 -15.323 2.290) 30.732 2.575 ( -32.240 -18.614 8.666) 38.222 4.190 ( -54.504 -31.468 2.394) 62.981 6.813 ( -4.534 -2.617 -9.332) 10.700 7.327 ( -9.371 -5.411 -2.304) 11.064 8.655 ( -0.307 -0.177 5.500) 5.512 8.924 ( -0.781 -0.451 7.472) 7.526 9.410 ( 2.259 1.304 -2.625) 3.700 9.798 ( 6.700 3.868 2.414) 8.104 10.621 ( 2.849 1.645 -1.767) 3.734 10.622 ( -2.708 -1.563 1.460) 3.451 11.155 ( -0.284 -0.164 -1.252) 1.294 ======================= Grid point 322 (49/261) ======================= q-point: (-0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -22.270 -12.858 13.172) 28.893 1.819 ( -32.391 -18.701 12.789) 39.528 2.892 ( -56.374 -32.547 7.203) 65.492 6.719 ( -3.374 -1.948 -9.176) 9.969 7.112 ( -9.130 -5.271 -6.200) 12.230 8.658 ( 0.962 0.555 4.886) 5.011 8.879 ( -2.739 -1.582 6.846) 7.542 9.466 ( 2.465 1.423 -4.204) 5.077 9.903 ( 2.406 1.389 -0.843) 2.903 10.597 ( 1.218 0.703 13.681) 13.753 10.692 ( 3.000 1.732 -0.479) 3.497 11.146 ( 0.199 0.115 2.348) 2.359 ======================= Grid point 323 (50/261) ======================= q-point: (-0.06 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -16.964 -9.794 26.190) 32.705 1.093 ( -28.906 -16.689 19.922) 38.871 1.622 ( -49.785 -28.744 19.924) 60.842 6.664 ( -1.190 -0.687 -8.546) 8.656 6.887 ( -10.843 -6.260 -11.373) 16.914 8.704 ( 2.706 1.562 4.214) 5.246 8.812 ( -2.820 -1.628 5.900) 6.738 9.515 ( 1.512 0.873 -4.329) 4.668 9.940 ( 1.809 1.045 -1.851) 2.791 10.703 ( 7.105 4.102 17.703) 19.511 10.753 ( 2.118 1.223 0.777) 2.566 11.265 ( 16.120 9.307 19.887) 27.239 ======================= Grid point 325 (51/261) ======================= q-point: ( 0.06 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 12.752 19.968 17.122) 29.232 1.598 ( 16.344 36.252 12.444) 41.668 2.546 ( 32.691 53.706 10.127) 63.683 6.735 ( 4.876 1.821 -7.894) 9.456 7.020 ( 2.236 10.347 -8.633) 13.660 8.682 ( 0.776 -3.023 4.894) 5.804 8.831 ( -1.606 3.993 5.914) 7.314 9.476 ( -1.972 -2.491 -4.649) 5.631 9.912 ( -1.311 -1.802 -1.212) 2.537 10.638 ( 1.261 -2.915 17.478) 17.764 10.738 ( 0.963 -3.126 0.849) 3.379 11.117 ( -3.886 -0.701 3.589) 5.336 ======================= Grid point 326 (52/261) ======================= q-point: ( 0.12 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 20.694 20.143 6.900) 29.691 2.321 ( 23.076 36.004 7.517) 43.420 3.703 ( 41.404 44.462 4.086) 60.893 6.847 ( 5.052 2.681 -6.677) 8.791 7.188 ( 5.758 9.535 -6.071) 12.686 8.655 ( -0.256 -4.186 5.736) 7.106 8.846 ( -1.931 5.027 4.230) 6.847 9.407 ( -2.690 -2.281 -3.790) 5.177 9.830 ( -4.741 -4.842 0.631) 6.805 10.674 ( 2.917 -1.206 5.706) 6.521 10.729 ( 1.195 -0.554 4.122) 4.327 11.094 ( -0.138 1.849 -2.743) 3.311 ======================= Grid point 327 (53/261) ======================= q-point: ( 0.18 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 27.091 19.600 0.996) 33.453 3.090 ( 23.155 35.280 5.100) 42.507 4.849 ( 42.635 36.146 -1.073) 55.905 6.958 ( 4.007 3.363 -6.265) 8.162 7.412 ( 9.044 8.870 -2.862) 12.987 8.576 ( -2.625 -6.567 4.448) 8.354 8.850 ( -4.121 5.089 2.590) 7.042 9.352 ( -0.939 -2.149 -1.409) 2.736 9.652 ( -8.320 -7.056 1.294) 10.985 10.668 ( -0.605 -1.370 1.129) 1.876 10.782 ( 3.021 0.832 1.477) 3.464 11.130 ( 2.210 0.773 -2.517) 3.438 ======================= Grid point 328 (54/261) ======================= q-point: ( 0.24 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( 31.377 18.036 -0.962) 36.204 3.820 ( 20.145 33.708 3.654) 39.439 5.893 ( 39.122 27.870 -5.915) 48.397 7.052 ( 2.768 3.598 -6.589) 8.001 7.668 ( 10.042 7.397 0.960) 12.510 8.444 ( -3.608 -7.206 2.887) 8.560 8.782 ( -8.849 3.258 1.976) 9.635 9.289 ( -4.791 -6.791 -1.792) 8.502 9.444 ( -5.365 -4.335 4.192) 8.072 10.650 ( -0.260 -0.320 0.731) 0.839 10.834 ( 2.289 0.574 -3.154) 3.939 11.163 ( 1.408 -1.472 0.317) 2.062 ======================= Grid point 329 (55/261) ======================= q-point: ( 0.29 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.839 ( 32.009 15.257 -0.592) 35.465 4.459 ( 15.474 30.880 2.722) 34.648 6.734 ( 29.526 16.123 -9.992) 35.094 7.137 ( 3.003 5.649 -6.518) 9.133 7.845 ( 2.133 1.031 0.735) 2.481 8.381 ( 4.282 -0.793 5.876) 7.314 8.604 ( -12.800 -0.501 2.840) 13.121 9.043 ( -11.147 -7.646 -3.314) 13.918 9.387 ( -0.137 -2.744 6.998) 7.518 10.656 ( 1.639 -0.800 -0.429) 1.874 10.876 ( 1.296 0.729 -4.937) 5.156 11.143 ( -0.499 -3.448 3.346) 4.830 ======================= Grid point 330 (56/261) ======================= q-point: ( 0.35 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( 27.231 11.020 0.450) 29.380 4.969 ( 9.395 26.507 2.226) 28.211 7.063 ( 5.325 -4.574 -11.965) 13.872 7.433 ( 15.383 14.065 -2.944) 21.051 7.745 ( -9.461 -3.071 -3.974) 10.712 8.353 ( -12.405 -3.477 4.867) 13.772 8.545 ( 6.098 2.725 6.416) 9.262 8.851 ( -2.129 -0.722 -1.471) 2.686 9.368 ( 1.660 -1.115 7.962) 8.209 10.689 ( 3.282 -1.577 -1.471) 3.927 10.844 ( -4.749 -3.866 -2.097) 6.472 11.115 ( 1.589 -1.938 2.785) 3.746 ======================= Grid point 331 (57/261) ======================= q-point: ( 0.41 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.963 ( 15.417 4.553 0.386) 16.080 5.302 ( 1.096 20.295 2.010) 20.424 7.052 ( 2.495 -8.374 -12.815) 15.510 7.510 ( -9.741 -3.409 2.417) 10.599 7.786 ( 7.496 12.255 -8.542) 16.714 8.144 ( -6.466 -3.280 8.115) 10.882 8.561 ( -1.128 1.368 1.919) 2.613 8.908 ( 0.885 2.002 5.294) 5.729 9.502 ( 12.318 3.559 5.237) 13.850 10.638 ( -10.208 -8.370 3.542) 13.667 10.728 ( 2.701 -1.869 -2.813) 4.324 11.147 ( 3.005 -1.491 -0.010) 3.355 ======================= Grid point 332 (58/261) ======================= q-point: ( 0.47 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.079 ( -2.529 -5.109 -2.546) 6.243 5.408 ( -8.534 13.776 1.750) 16.300 7.020 ( 3.669 -6.956 -12.210) 14.524 7.348 ( -7.742 2.089 -3.329) 8.683 7.983 ( 5.101 5.209 -2.049) 7.573 8.095 ( 2.657 1.508 9.295) 9.784 8.607 ( 3.536 2.486 4.668) 6.362 8.902 ( -2.543 3.155 7.892) 8.871 9.712 ( 3.796 -2.065 2.162) 4.832 10.408 ( -3.255 -5.343 3.949) 7.399 10.741 ( 0.843 -1.894 -3.056) 3.693 11.165 ( 1.273 -2.954 -0.873) 3.333 ======================= Grid point 334 (59/261) ======================= q-point: (-0.47 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.803 ( -16.815 -13.055 -6.808) 22.350 5.283 ( -18.414 8.364 1.424) 20.274 7.043 ( 3.835 -2.866 -10.504) 11.543 7.266 ( -5.593 3.448 -7.123) 9.690 8.119 ( 8.822 0.243 6.778) 11.127 8.228 ( 6.430 5.655 5.741) 10.309 8.668 ( 0.356 -2.136 2.782) 3.525 8.934 ( 1.207 7.040 12.059) 14.016 9.507 ( -14.229 -9.647 4.820) 17.854 10.488 ( 10.893 -1.179 -2.479) 11.234 10.731 ( -0.188 0.488 -2.767) 2.816 11.127 ( -1.749 -3.817 -1.137) 4.350 ======================= Grid point 335 (60/261) ======================= q-point: (-0.41 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.286 ( -24.165 -16.471 -9.029) 30.607 4.946 ( -27.044 4.367 1.472) 27.434 7.050 ( -1.697 -2.929 -9.296) 9.894 7.187 ( -7.243 1.501 -8.766) 11.470 8.282 ( 6.441 -0.202 2.767) 7.013 8.349 ( -0.398 -6.698 10.094) 12.120 8.548 ( -2.137 0.045 5.565) 5.962 9.059 ( 2.150 9.401 13.752) 16.796 9.275 ( -0.948 -3.313 2.055) 4.012 10.584 ( 3.388 -5.597 -5.392) 8.478 10.808 ( 5.264 4.850 -4.538) 8.475 11.037 ( -3.702 -3.298 -0.622) 4.997 ======================= Grid point 336 (61/261) ======================= q-point: (-0.35 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( -27.934 -16.608 -8.541) 33.602 4.444 ( -33.421 1.336 2.229) 33.522 6.765 ( -24.501 -13.607 -7.383) 28.982 7.087 ( -5.359 1.435 -8.498) 10.148 7.970 ( -15.653 -10.100 3.236) 18.908 8.451 ( 9.352 -2.890 10.582) 14.415 8.714 ( 8.179 7.240 5.432) 12.199 9.192 ( 3.178 8.004 5.130) 10.024 9.337 ( 7.405 -0.882 5.053) 9.008 10.568 ( 0.544 -2.444 -4.352) 5.021 10.858 ( -3.740 -1.486 -7.980) 8.937 11.019 ( 4.140 1.643 -0.227) 4.460 ======================= Grid point 337 (62/261) ======================= q-point: (-0.29 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -29.553 -14.462 -5.857) 33.420 3.819 ( -37.850 -1.220 3.778) 38.057 5.969 ( -43.841 -21.036 -3.247) 48.735 7.001 ( -5.844 0.520 -8.430) 10.271 7.673 ( -10.701 -5.420 1.664) 12.110 8.561 ( 6.675 -3.320 7.916) 10.873 8.889 ( 3.563 5.473 5.922) 8.816 9.306 ( 4.093 1.085 -0.798) 4.308 9.491 ( 9.085 2.889 6.431) 11.500 10.569 ( 0.554 0.995 -2.951) 3.163 10.758 ( -4.602 -1.423 -6.216) 7.864 11.106 ( 3.303 0.740 -2.553) 4.240 ======================= Grid point 338 (63/261) ======================= q-point: (-0.24 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -29.421 -10.734 -1.118) 31.338 3.110 ( -40.387 -3.376 6.084) 40.982 4.890 ( -54.150 -20.663 0.135) 57.959 6.897 ( -6.191 0.229 -8.537) 10.548 7.447 ( -10.055 -4.209 -1.039) 10.950 8.617 ( 3.411 -2.654 6.292) 7.633 8.944 ( -0.912 1.532 6.377) 6.621 9.369 ( 3.125 -0.237 -1.841) 3.635 9.687 ( 9.371 2.361 3.455) 10.263 10.604 ( 1.240 2.275 -1.650) 3.072 10.681 ( -3.701 0.632 -2.391) 4.451 11.142 ( 0.992 -0.820 -2.359) 2.687 ======================= Grid point 339 (64/261) ======================= q-point: (-0.18 0.06 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -27.602 -5.817 6.348) 28.914 2.354 ( -41.025 -4.889 8.974) 42.279 3.704 ( -60.490 -14.048 3.847) 62.219 6.799 ( -5.627 1.165 -8.500) 10.261 7.231 ( -10.020 -3.858 -4.309) 11.569 8.641 ( 1.670 -0.438 5.576) 5.837 8.907 ( -2.678 -1.752 6.221) 6.996 9.422 ( 3.221 -0.129 -3.491) 4.752 9.841 ( 6.185 0.616 0.916) 6.282 10.620 ( -1.734 1.623 5.202) 5.719 10.676 ( 1.214 3.256 0.574) 3.522 11.132 ( -0.167 -2.013 -0.978) 2.244 ======================= Grid point 344 (65/261) ======================= q-point: ( 0.12 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 16.174 25.427 1.231) 30.160 3.089 ( 21.923 38.931 5.703) 45.042 4.653 ( 26.900 48.713 0.075) 55.646 6.921 ( 4.651 4.517 -6.959) 9.511 7.390 ( 4.606 10.230 -2.833) 11.571 8.575 ( -3.542 -3.908 5.751) 7.803 8.939 ( -0.515 3.737 4.479) 5.856 9.357 ( -2.419 -2.846 -2.361) 4.419 9.700 ( -5.630 -7.811 1.697) 9.777 10.646 ( 1.255 -1.386 0.136) 1.875 10.727 ( 3.839 0.259 0.930) 3.958 11.122 ( -0.432 0.635 -2.768) 2.873 ======================= Grid point 345 (66/261) ======================= q-point: ( 0.18 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 22.714 22.674 -1.074) 32.112 3.860 ( 20.109 39.581 3.907) 44.568 5.592 ( 30.456 36.829 -4.182) 47.973 7.041 ( 3.565 4.874 -5.831) 8.395 7.595 ( 7.447 9.017 -0.541) 11.708 8.446 ( -4.800 -6.158 4.871) 9.203 8.940 ( -4.218 2.978 3.207) 6.078 9.273 ( -2.620 -5.849 -1.799) 6.657 9.506 ( -7.053 -6.712 2.195) 9.981 10.644 ( 0.159 -1.734 0.848) 1.937 10.791 ( 3.156 0.726 -2.641) 4.178 11.124 ( 0.796 -1.478 -1.729) 2.410 ======================= Grid point 346 (67/261) ======================= q-point: ( 0.24 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.484 ( 27.163 18.976 -1.064) 33.152 4.564 ( 14.826 38.706 3.002) 41.557 6.420 ( 27.876 23.568 -8.442) 37.467 7.143 ( 2.648 5.452 -4.999) 7.856 7.804 ( 6.032 6.038 1.535) 8.672 8.323 ( -1.017 -4.384 5.228) 6.898 8.821 ( -11.040 -0.549 2.721) 11.384 9.119 ( -6.655 -8.706 -3.919) 11.638 9.372 ( -2.296 -2.785 4.879) 6.069 10.619 ( 0.342 -3.407 -0.163) 3.428 10.855 ( 2.395 1.607 -3.786) 4.759 11.105 ( 0.081 -4.073 1.032) 4.203 ======================= Grid point 347 (68/261) ======================= q-point: ( 0.29 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.138 ( 27.599 14.404 0.092) 31.131 5.144 ( 8.188 35.914 2.548) 36.923 6.919 ( 9.967 3.195 -12.063) 15.971 7.318 ( 10.815 9.588 -0.476) 14.461 7.852 ( -3.966 1.498 -1.425) 4.473 8.405 ( 10.552 1.997 7.753) 13.245 8.572 ( -14.287 -1.945 2.874) 14.702 8.912 ( -6.998 -5.686 -5.463) 10.542 9.339 ( 0.166 -1.186 6.575) 6.684 10.603 ( 2.734 -4.628 -1.136) 5.494 10.870 ( -2.011 -2.314 -2.842) 4.180 11.063 ( 0.879 -3.767 2.732) 4.736 ======================= Grid point 348 (69/261) ======================= q-point: ( 0.35 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.696 ( 21.689 8.283 0.938) 23.236 5.562 ( 0.329 31.638 2.269) 31.721 6.954 ( 0.172 -5.558 -11.995) 13.221 7.497 ( 2.149 -6.351 10.286) 12.278 7.870 ( 1.368 13.391 -10.192) 16.884 8.300 ( -13.090 -0.646 4.065) 13.722 8.580 ( 1.685 0.650 1.983) 2.682 8.857 ( 5.526 0.187 -0.683) 5.571 9.371 ( 4.780 1.798 5.956) 7.846 10.620 ( 4.272 -5.561 0.427) 7.025 10.721 ( -7.678 -7.792 -0.026) 10.939 11.071 ( 2.854 -2.660 0.545) 3.939 ======================= Grid point 349 (70/261) ======================= q-point: ( 0.41 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.002 ( 7.419 -0.851 -0.344) 7.475 5.778 ( -9.452 26.554 1.897) 28.250 6.903 ( 2.056 -5.420 -10.956) 12.395 7.400 ( -1.408 -7.343 8.776) 11.529 8.057 ( 1.248 13.633 -10.306) 17.135 8.112 ( -7.117 0.695 7.102) 10.079 8.584 ( 0.894 0.411 1.584) 1.865 8.947 ( 1.845 1.241 4.232) 4.780 9.557 ( 11.195 2.076 1.558) 11.492 10.446 ( -9.039 -10.381 5.977) 15.007 10.669 ( 4.032 -3.873 -2.914) 6.305 11.088 ( 2.866 -4.259 -0.422) 5.150 ======================= Grid point 350 (71/261) ======================= q-point: (-0.53 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.918 ( -9.722 -9.980 -3.916) 14.472 5.766 ( -19.254 20.887 1.443) 28.444 6.941 ( 5.502 -0.961 -8.989) 10.583 7.337 ( -0.349 -2.985 3.613) 4.699 8.042 ( -0.810 2.400 3.306) 4.165 8.220 ( 2.935 9.070 0.018) 9.533 8.617 ( 2.392 -1.942 1.929) 3.635 8.980 ( 0.707 2.967 6.124) 6.841 9.615 ( -6.060 -5.743 3.434) 9.028 10.305 ( 5.000 -5.140 0.621) 7.197 10.698 ( 3.099 -2.131 -1.627) 4.098 11.082 ( 1.638 -4.850 -0.665) 5.163 ======================= Grid point 351 (72/261) ======================= q-point: (-0.47 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.522 ( -20.346 -13.627 -6.529) 25.344 5.534 ( -27.910 15.392 1.170) 31.894 7.031 ( 2.999 1.147 -7.761) 8.399 7.296 ( -3.253 -0.439 -3.056) 4.485 8.116 ( 6.921 0.289 8.339) 10.840 8.341 ( 1.174 3.583 2.186) 4.359 8.573 ( -2.643 -5.534 0.506) 6.153 9.053 ( 4.702 2.123 6.867) 8.589 9.368 ( -11.199 -2.326 7.348) 13.595 10.411 ( 9.000 -5.226 -5.649) 11.842 10.760 ( 4.828 1.717 -1.377) 5.307 11.044 ( -0.937 -3.936 -0.576) 4.086 ======================= Grid point 352 (73/261) ======================= q-point: (-0.41 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( -25.827 -12.877 -6.851) 29.661 5.115 ( -34.995 10.970 1.343) 36.698 6.976 ( -11.017 -5.321 -7.859) 14.541 7.211 ( -5.919 1.253 -5.986) 8.511 8.133 ( -14.385 -10.684 4.789) 18.548 8.259 ( 8.639 -1.714 7.591) 11.627 8.634 ( 7.619 5.999 2.754) 10.081 9.169 ( 8.419 -3.841 4.252) 10.184 9.273 ( -2.729 6.700 7.042) 10.096 10.483 ( 5.352 -3.800 -5.716) 8.704 10.871 ( 3.142 1.403 -5.287) 6.308 10.987 ( -0.616 -1.259 1.021) 1.734 ======================= Grid point 353 (74/261) ======================= q-point: (-0.35 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( -28.821 -9.470 -5.386) 30.811 4.544 ( -40.364 6.876 2.210) 41.005 6.476 ( -33.560 -13.522 -6.042) 36.683 7.124 ( -6.401 1.828 -6.300) 9.166 7.816 ( -11.736 -4.795 2.302) 12.885 8.387 ( 8.498 -3.232 8.563) 12.490 8.845 ( 8.035 5.566 2.543) 10.100 9.235 ( 4.531 -3.713 1.063) 5.954 9.374 ( 6.175 3.904 5.973) 9.437 10.543 ( 3.667 0.228 -3.647) 5.177 10.831 ( -4.711 -0.748 -5.044) 6.942 11.048 ( 4.328 1.131 -1.326) 4.666 ======================= Grid point 354 (75/261) ======================= q-point: (-0.29 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -30.235 -4.509 -2.697) 30.688 3.855 ( -43.712 2.670 3.781) 43.957 5.625 ( -47.535 -10.994 -3.015) 48.883 7.022 ( -6.823 1.242 -6.701) 9.644 7.596 ( -10.586 -2.013 -0.112) 10.776 8.490 ( 7.106 -3.172 6.763) 10.310 8.968 ( 0.965 1.916 4.261) 4.771 9.289 ( 5.078 -1.755 -1.297) 5.527 9.533 ( 9.318 0.498 3.479) 9.959 10.607 ( 1.793 2.340 -0.909) 3.085 10.753 ( -3.724 1.007 -3.951) 5.522 11.111 ( 2.035 0.098 -2.521) 3.242 ======================= Grid point 362 (76/261) ======================= q-point: ( 0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 17.081 24.413 -2.602) 29.909 4.638 ( 22.026 36.780 2.818) 42.964 6.302 ( 16.681 32.575 -6.682) 37.203 7.147 ( 3.457 5.303 -4.578) 7.812 7.774 ( 5.486 8.982 0.822) 10.557 8.331 ( -5.260 -5.241 6.703) 10.004 8.919 ( -2.884 -5.960 2.787) 7.184 9.149 ( -6.912 -5.323 -0.961) 8.778 9.401 ( -3.220 -3.461 3.059) 5.631 10.573 ( -0.299 -5.210 -1.441) 5.413 10.832 ( 2.630 3.034 -3.508) 5.332 11.070 ( -0.694 -3.828 -0.870) 3.987 ======================= Grid point 363 (77/261) ======================= q-point: ( 0.24 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( 21.333 19.253 -1.164) 28.760 5.333 ( 14.524 36.648 2.703) 39.514 6.807 ( 11.358 14.309 -10.029) 20.841 7.259 ( 4.584 4.951 -0.814) 6.796 7.921 ( 0.421 6.230 -0.537) 6.267 8.267 ( 4.485 -1.467 7.618) 8.962 8.760 ( -8.534 -3.900 2.717) 9.769 8.955 ( -6.910 -7.943 -2.537) 10.830 9.351 ( -1.530 0.776 3.316) 3.733 10.510 ( 0.781 -7.057 -1.897) 7.349 10.875 ( -0.578 -0.871 -3.064) 3.237 11.015 ( -0.082 -3.990 1.756) 4.360 ======================= Grid point 364 (78/261) ======================= q-point: ( 0.29 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.415 ( 21.387 13.037 0.709) 25.057 5.870 ( 5.198 35.204 2.662) 35.685 6.940 ( -1.705 0.101 -9.899) 10.045 7.380 ( 4.506 -4.247 5.492) 8.277 7.970 ( 0.109 9.739 -4.295) 10.645 8.414 ( 7.271 -1.198 6.314) 9.704 8.592 ( -8.340 4.291 3.372) 9.967 8.790 ( -1.653 -6.340 -5.215) 8.374 9.356 ( 0.403 2.680 3.563) 4.477 10.474 ( 3.889 -7.860 -0.858) 8.811 10.763 ( -6.194 -7.690 -0.305) 9.879 11.005 ( 1.575 -2.562 0.967) 3.160 ======================= Grid point 365 (79/261) ======================= q-point: ( 0.35 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.829 ( 13.796 5.077 1.510) 14.778 6.218 ( -4.699 32.562 2.220) 32.974 6.863 ( -3.077 -2.811 -8.068) 9.080 7.311 ( -0.329 -11.132 8.135) 13.791 8.121 ( 2.732 10.548 -0.657) 10.916 8.352 ( -10.380 4.977 -1.541) 11.614 8.573 ( -0.027 -1.193 0.708) 1.387 8.833 ( 8.494 -2.481 -0.069) 8.849 9.444 ( 5.581 5.292 1.173) 7.780 10.453 ( -0.579 -10.614 6.821) 12.630 10.567 ( -2.377 -7.139 -4.177) 8.606 10.999 ( 1.885 -4.502 0.199) 4.884 ======================= Grid point 366 (80/261) ======================= q-point: ( 0.41 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.946 ( -1.688 -3.931 -0.268) 4.286 6.341 ( -16.878 28.128 1.569) 32.841 6.844 ( 3.816 -0.501 -6.213) 7.309 7.230 ( 3.771 -8.887 8.307) 12.736 8.170 ( -6.536 4.647 6.442) 10.286 8.315 ( -1.978 11.417 -9.232) 14.816 8.559 ( 0.946 -3.609 1.178) 3.913 8.927 ( 5.546 -3.234 3.003) 7.088 9.606 ( 4.176 3.256 -0.751) 5.348 10.235 ( -5.137 -10.147 5.274) 12.536 10.580 ( 6.185 -4.709 -1.929) 8.009 10.988 ( 2.717 -5.175 -0.092) 5.846 ======================= Grid point 368 (81/261) ======================= q-point: (-0.53 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.721 ( -15.176 -8.491 -2.954) 17.639 6.200 ( -26.666 20.502 1.330) 33.663 6.964 ( 6.838 2.727 -4.842) 8.812 7.250 ( 4.979 -4.862 5.084) 8.618 8.116 ( -3.701 4.736 2.605) 6.551 8.395 ( -1.851 5.892 -0.227) 6.180 8.523 ( 1.555 -5.536 -1.697) 5.995 8.974 ( 3.704 -3.552 4.257) 6.668 9.541 ( -9.944 -1.590 5.586) 11.516 10.204 ( 8.210 -4.154 -3.823) 9.963 10.659 ( 6.856 -1.710 -0.109) 7.067 10.989 ( 2.402 -3.970 -0.060) 4.640 ======================= Grid point 369 (82/261) ======================= q-point: (-0.47 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.300 ( -22.690 -7.348 -4.109) 24.202 5.845 ( -33.356 13.702 1.494) 36.092 7.055 ( -1.144 0.019 -5.978) 6.087 7.266 ( 0.529 -1.567 -0.116) 1.658 8.145 ( 2.473 2.476 6.024) 6.967 8.256 ( -9.757 -9.094 -0.402) 13.344 8.591 ( 4.204 5.796 0.757) 7.200 8.991 ( 5.188 -6.628 4.114) 9.368 9.392 ( -5.486 1.932 6.124) 8.446 10.327 ( 8.306 -1.993 -5.912) 10.388 10.784 ( 7.475 0.603 -1.300) 7.611 10.983 ( 0.194 -1.936 0.418) 1.990 ======================= Grid point 370 (83/261) ======================= q-point: (-0.41 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.809 ( -26.999 -3.011 -3.749) 27.424 5.317 ( -38.930 7.065 1.962) 39.615 6.847 ( -19.395 -5.930 -8.042) 21.817 7.237 ( -4.213 1.122 -2.497) 5.025 7.981 ( -11.689 -4.324 0.839) 12.491 8.231 ( 5.804 -0.530 8.005) 9.902 8.750 ( 7.638 4.704 1.197) 9.050 9.051 ( 8.987 -6.540 2.462) 11.384 9.366 ( -0.445 1.448 4.056) 4.330 10.452 ( 6.737 0.942 -4.189) 7.989 10.878 ( 0.463 -0.181 -4.048) 4.079 10.987 ( 2.959 0.891 1.284) 3.346 ======================= Grid point 381 (84/261) ======================= q-point: ( 0.24 0.24 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.255 ( 14.444 18.747 -1.114) 23.692 6.008 ( 18.053 29.644 2.438) 34.794 7.005 ( -1.434 5.855 -7.707) 9.784 7.279 ( 1.616 -3.686 2.737) 4.867 8.079 ( -2.182 9.177 -3.547) 10.077 8.249 ( 7.524 -0.539 7.030) 10.312 8.700 ( 1.603 -3.808 -0.265) 4.140 8.830 ( -10.570 -1.737 2.799) 11.071 9.391 ( -0.207 3.166 2.640) 4.128 10.351 ( 0.054 -8.346 -3.418) 9.019 10.784 ( -4.834 -7.242 -1.035) 8.768 10.970 ( -0.015 -1.345 1.071) 1.719 ======================= Grid point 382 (85/261) ======================= q-point: ( 0.29 0.24 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.663 ( 13.653 11.441 1.629) 17.887 6.514 ( 6.481 26.317 2.504) 27.218 6.964 ( -6.145 3.847 -4.323) 8.440 7.208 ( -0.889 -10.559 4.046) 11.342 8.179 ( 2.177 9.719 -1.709) 10.106 8.361 ( 6.561 -4.338 2.294) 8.193 8.647 ( -5.332 -2.448 -2.154) 6.250 8.739 ( -0.263 4.221 2.729) 5.034 9.445 ( 1.597 6.552 0.654) 6.775 10.297 ( 3.784 -9.527 -0.266) 10.255 10.589 ( -7.416 -9.090 -0.130) 11.732 10.941 ( -0.195 -3.755 0.733) 3.830 ======================= Grid point 383 (86/261) ======================= q-point: ( 0.35 0.24 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.911 ( 4.804 3.240 2.795) 6.434 6.727 ( 0.081 7.974 0.222) 7.977 6.971 ( -10.124 23.049 -1.399) 25.213 7.076 ( 0.915 -11.505 5.286) 12.695 8.277 ( 0.182 1.718 5.011) 5.300 8.403 ( 3.094 -0.784 -4.536) 5.547 8.561 ( -4.906 2.039 -2.874) 6.040 8.791 ( 3.963 -0.981 2.625) 4.854 9.584 ( 4.540 8.668 -1.987) 9.985 10.222 ( -3.509 -11.756 7.149) 14.199 10.426 ( 2.206 -6.807 -4.343) 8.371 10.903 ( 1.095 -4.539 0.583) 4.705 ======================= Grid point 384 (87/261) ======================= q-point: (-0.59 0.24 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.876 ( -8.572 -2.293 1.408) 8.984 6.791 ( -9.708 9.587 3.042) 13.979 6.891 ( -2.691 4.673 -2.822) 6.086 7.118 ( 2.052 3.758 4.976) 6.565 8.248 ( -2.867 0.707 1.321) 3.235 8.420 ( 0.202 -7.268 -0.085) 7.271 8.521 ( -3.319 7.978 -4.334) 9.667 8.853 ( 5.088 -3.361 3.479) 7.021 9.672 ( -5.156 1.772 1.336) 5.613 10.067 ( 2.094 -4.808 0.211) 5.249 10.487 ( 8.964 -4.309 -0.791) 9.978 10.899 ( 3.067 -3.239 0.505) 4.489 ======================= Grid point 385 (88/261) ======================= q-point: (-0.53 0.24 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.614 ( -17.897 -1.573 -0.373) 17.970 6.510 ( -27.790 8.311 2.074) 29.080 7.027 ( 4.961 2.143 -2.204) 5.837 7.173 ( 5.246 -1.969 2.934) 6.325 8.218 ( -4.817 4.979 0.733) 6.966 8.291 ( -3.742 -7.859 -0.886) 8.749 8.592 ( 2.510 6.000 -1.552) 6.686 8.867 ( 1.619 -6.560 4.601) 8.175 9.503 ( -8.171 -2.952 3.678) 9.435 10.181 ( 8.144 2.558 -4.431) 9.618 10.626 ( 10.016 -1.716 0.321) 10.167 10.935 ( 3.121 -1.217 0.617) 3.406 ======================= Grid point 399 (89/261) ======================= q-point: ( 0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.866 ( 6.188 8.228 3.218) 10.786 6.796 ( -2.569 3.994 2.366) 5.305 6.947 ( 0.347 -9.011 1.915) 9.219 7.273 ( 8.557 18.519 0.245) 20.401 8.190 ( -3.498 -8.516 -0.679) 9.231 8.375 ( 3.522 5.502 0.559) 6.557 8.624 ( 1.819 1.092 -2.856) 3.558 8.794 ( -2.919 -0.143 3.280) 4.394 9.634 ( 2.052 11.665 1.105) 11.895 10.098 ( 2.034 -9.779 0.037) 9.988 10.414 ( -7.443 -7.751 -1.245) 10.818 10.867 ( -1.589 -3.030 0.868) 3.530 ======================= Grid point 400 (90/261) ======================= q-point: ( 0.35 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.962 ( -1.380 1.646 4.543) 5.026 6.787 ( 1.208 2.449 1.758) 3.247 6.877 ( 1.601 -7.253 2.697) 7.902 7.516 ( -13.628 24.708 -0.030) 28.217 8.065 ( 9.219 -17.149 -1.163) 19.504 8.431 ( -0.827 1.225 3.219) 3.542 8.659 ( -3.454 5.607 -3.662) 7.536 8.767 ( 1.937 -2.171 1.236) 3.161 9.781 ( -1.494 9.497 0.474) 9.626 9.999 ( -0.149 -9.244 3.915) 10.040 10.308 ( 3.985 -4.198 -4.014) 7.044 10.835 ( 0.995 -1.807 0.996) 2.291 ======================= Grid point 614 (91/261) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 0.000 25.715) 25.715 1.193 ( -0.000 -0.000 25.715) 25.715 1.872 ( 0.000 -0.000 40.413) 40.413 6.475 ( 0.000 0.000 -10.743) 10.743 6.475 ( 0.000 -0.000 -10.743) 10.743 8.870 ( 0.000 -0.000 5.959) 5.959 8.870 ( 0.000 -0.000 5.959) 5.959 9.413 ( -0.000 0.000 -7.958) 7.958 9.925 ( 0.000 0.000 -2.113) 2.113 10.832 ( 0.000 0.000 2.681) 2.681 10.832 ( 0.000 0.000 2.681) 2.681 12.027 ( 0.000 0.000 4.763) 4.763 ======================= Grid point 615 (92/261) ======================= q-point: ( 0.06 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 19.470 11.241 21.654) 31.214 1.567 ( 14.791 8.540 26.795) 31.776 2.144 ( 29.519 17.043 25.340) 42.473 6.538 ( 3.442 1.987 -10.736) 11.448 6.576 ( 8.910 5.144 -12.155) 15.925 8.838 ( -0.558 -0.322 5.841) 5.876 8.909 ( 0.958 0.553 6.779) 6.868 9.390 ( -1.834 -1.059 -7.512) 7.804 9.912 ( -0.784 -0.453 -1.139) 1.455 10.835 ( -0.886 -0.512 2.479) 2.682 10.836 ( 1.604 0.926 2.678) 3.256 11.633 ( -24.908 -14.381 15.384) 32.617 ======================= Grid point 616 (93/261) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 10.720 6.189 20.936) 24.321 1.987 ( 29.234 16.878 15.427) 37.115 3.107 ( 47.088 27.186 9.142) 55.135 6.626 ( 4.033 2.329 -10.993) 11.939 6.829 ( 12.326 7.117 -9.866) 17.318 8.840 ( 0.613 0.354 5.706) 5.749 8.903 ( -1.822 -1.052 7.314) 7.611 9.348 ( -1.100 -0.635 -4.710) 4.878 9.886 ( -2.107 -1.216 -0.615) 2.509 10.794 ( -2.534 -1.463 1.689) 3.379 10.902 ( 3.685 2.128 3.728) 5.658 11.142 ( -15.710 -9.070 9.602) 20.526 ======================= Grid point 617 (94/261) ======================= q-point: ( 0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 19.573 11.300 7.306) 23.752 2.699 ( 31.168 17.995 11.252) 37.707 4.212 ( 46.814 27.028 1.516) 54.077 6.719 ( 3.815 2.203 -11.444) 12.263 7.145 ( 14.762 8.523 -5.030) 17.772 8.811 ( -6.015 -3.473 5.167) 8.657 8.854 ( 0.219 0.127 5.754) 5.760 9.361 ( 2.135 1.232 1.376) 2.823 9.783 ( -7.041 -4.065 0.101) 8.130 10.725 ( -3.136 -1.811 0.538) 3.661 10.855 ( -6.870 -3.967 3.140) 8.532 11.035 ( 4.676 2.699 -2.366) 5.895 ======================= Grid point 618 (95/261) ======================= q-point: ( 0.24 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 28.070 16.206 -2.047) 32.477 3.412 ( 29.677 17.134 8.311) 35.262 5.254 ( 42.166 24.345 -4.391) 48.887 6.801 ( 3.140 1.813 -11.982) 12.519 7.505 ( 15.640 9.030 -0.314) 18.062 8.646 ( -7.358 -4.248 4.144) 9.453 8.834 ( -2.277 -1.315 6.230) 6.762 9.401 ( -1.887 -1.089 4.341) 4.857 9.593 ( -6.275 -3.623 2.332) 7.611 10.660 ( -2.159 -1.246 -0.763) 2.607 10.748 ( -2.570 -1.484 -6.118) 6.799 11.144 ( 4.042 2.334 -1.032) 4.780 ======================= Grid point 619 (96/261) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 32.052 18.505 -5.885) 37.475 4.066 ( 26.265 15.164 6.130) 30.941 6.152 ( 34.440 19.884 -9.311) 40.844 6.863 ( 2.230 1.287 -12.507) 12.769 7.818 ( 9.218 5.322 1.884) 10.809 8.531 ( -0.454 -0.262 7.173) 7.193 8.740 ( -5.783 -3.339 7.286) 9.883 9.175 ( -13.729 -7.927 -0.512) 15.861 9.581 ( 1.531 0.884 9.497) 9.661 10.633 ( -0.201 -0.116 -2.096) 2.109 10.724 ( 0.360 0.208 -8.948) 8.958 11.208 ( 1.336 0.771 0.183) 1.554 ======================= Grid point 620 (97/261) ======================= q-point: ( 0.35 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.163 ( 30.076 17.365 -6.297) 35.296 4.623 ( 21.349 12.326 4.601) 25.077 6.823 ( 22.119 12.770 -14.089) 29.169 6.903 ( 1.152 0.665 -12.914) 12.982 7.879 ( -2.060 -1.190 4.523) 5.111 8.577 ( -7.677 -4.432 8.849) 12.525 8.660 ( 7.342 4.239 10.587) 13.563 8.876 ( -8.536 -4.928 -1.818) 10.023 9.596 ( 0.093 0.054 11.988) 11.989 10.645 ( 1.063 0.614 -3.410) 3.624 10.753 ( 1.517 0.876 -7.636) 7.834 11.207 ( -1.200 -0.693 1.562) 2.088 ======================= Grid point 621 (98/261) ======================= q-point: ( 0.41 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.770 ( 20.695 11.948 -5.225) 24.462 5.045 ( 14.555 8.403 3.615) 17.191 6.916 ( -0.003 -0.002 -13.034) 13.034 7.116 ( 2.570 1.484 -18.011) 18.254 7.858 ( 1.850 1.068 10.348) 10.566 8.411 ( -5.961 -3.442 10.495) 12.551 8.607 ( -3.258 -1.881 1.769) 4.157 8.966 ( 6.582 3.800 5.740) 9.524 9.638 ( 4.756 2.746 12.989) 14.102 10.670 ( 0.785 0.453 -4.612) 4.700 10.748 ( -3.019 -1.743 -2.551) 4.319 11.176 ( -0.829 -0.479 0.971) 1.364 ======================= Grid point 622 (99/261) ======================= q-point: ( 0.47 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.058 ( 2.865 1.654 -4.573) 5.644 5.280 ( 5.193 2.998 3.029) 6.718 6.907 ( -0.608 -0.351 -12.697) 12.717 7.051 ( -4.742 -2.738 -13.321) 14.402 7.945 ( 5.108 2.949 5.631) 8.155 8.327 ( -0.825 -0.476 11.513) 11.552 8.643 ( 4.889 2.823 3.713) 6.757 9.036 ( 0.762 0.440 6.862) 6.919 9.803 ( 7.089 4.093 9.813) 12.778 10.608 ( -7.664 -4.425 4.010) 9.715 10.674 ( -0.544 -0.314 -5.504) 5.539 11.172 ( -0.071 -0.041 -1.170) 1.172 ======================= Grid point 623 (100/261) ======================= q-point: (-0.47 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.898 ( -15.458 -8.925 -5.913) 18.804 5.275 ( -5.581 -3.222 2.850) 7.046 6.895 ( -0.353 -0.204 -12.144) 12.151 6.982 ( -1.009 -0.583 -9.254) 9.327 8.100 ( 7.958 4.594 2.155) 9.438 8.378 ( 5.066 2.925 11.508) 12.909 8.726 ( 0.441 0.254 2.239) 2.296 9.085 ( 4.688 2.707 8.697) 10.245 9.820 ( -7.559 -4.364 10.364) 13.550 10.509 ( 1.169 0.675 4.221) 4.431 10.644 ( -1.983 -1.145 -5.853) 6.285 11.149 ( -2.185 -1.261 -1.894) 3.155 ======================= Grid point 624 (101/261) ======================= q-point: (-0.41 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.413 ( -24.783 -14.309 -8.119) 29.747 5.035 ( -14.599 -8.429 3.229) 17.164 6.886 ( -0.641 -0.370 -11.830) 11.853 6.964 ( -2.055 -1.186 -8.489) 8.814 8.270 ( 4.708 2.718 1.243) 5.576 8.545 ( 8.776 5.067 10.662) 14.709 8.658 ( -4.951 -2.858 -0.649) 5.753 9.240 ( 7.692 4.441 6.921) 11.260 9.544 ( -12.516 -7.226 18.343) 23.353 10.587 ( -2.714 -1.567 -5.549) 6.373 10.606 ( 4.802 2.772 -2.925) 6.269 11.074 ( -3.756 -2.168 -1.281) 4.522 ======================= Grid point 625 (102/261) ======================= q-point: (-0.35 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( -27.637 -15.956 -9.264) 33.230 4.617 ( -20.907 -12.070 4.279) 24.517 6.801 ( -13.981 -8.072 -9.716) 18.842 6.858 ( -1.895 -1.094 -11.778) 11.980 8.174 ( -12.418 -7.169 -0.583) 14.351 8.637 ( 3.714 2.144 3.490) 5.530 8.761 ( 9.196 5.309 9.373) 14.164 9.335 ( -3.020 -1.743 11.807) 12.311 9.429 ( 6.389 3.689 11.736) 13.863 10.527 ( -2.200 -1.270 -4.690) 5.333 10.661 ( -0.691 -0.399 -10.174) 10.205 11.014 ( -0.616 -0.356 0.247) 0.753 ======================= Grid point 626 (103/261) ======================= q-point: (-0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -26.913 -15.538 -7.838) 32.050 4.077 ( -25.220 -14.561 6.078) 29.749 6.255 ( -32.640 -18.845 -9.074) 38.767 6.796 ( -3.405 -1.966 -11.803) 12.440 7.858 ( -13.177 -7.608 2.145) 15.366 8.731 ( 3.311 1.912 5.010) 6.302 8.950 ( 6.646 3.837 8.087) 11.149 9.330 ( 1.782 1.029 8.805) 9.042 9.576 ( 5.943 3.431 6.905) 9.736 10.496 ( -0.281 -0.162 -3.475) 3.490 10.605 ( -2.658 -1.535 -11.215) 11.628 11.038 ( 1.892 1.092 -1.594) 2.704 ======================= Grid point 627 (104/261) ======================= q-point: (-0.24 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -23.217 -13.405 -2.394) 26.916 3.455 ( -27.953 -16.139 8.640) 33.414 5.338 ( -44.818 -25.876 -5.071) 51.999 6.703 ( -4.466 -2.578 -11.772) 12.852 7.561 ( -12.757 -7.365 0.403) 14.736 8.781 ( 1.132 0.653 5.985) 6.126 9.057 ( 2.474 1.429 7.082) 7.637 9.362 ( 0.316 0.182 2.880) 2.903 9.714 ( 5.821 3.361 4.101) 7.874 10.520 ( 2.341 1.351 -2.027) 3.379 10.589 ( 1.863 1.075 -5.553) 5.955 11.078 ( 1.353 0.781 -3.577) 3.903 ======================= Grid point 628 (105/261) ======================= q-point: (-0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -16.887 -9.749 8.176) 21.144 2.788 ( -29.083 -16.791 11.889) 35.625 4.222 ( -50.054 -28.899 0.334) 57.799 6.596 ( -4.461 -2.575 -11.621) 12.712 7.257 ( -13.305 -7.682 -4.268) 15.945 8.791 ( -0.095 -0.055 7.222) 7.223 9.069 ( -1.217 -0.703 6.435) 6.587 9.355 ( -0.369 -0.213 -2.166) 2.208 9.830 ( 3.750 2.165 0.434) 4.351 10.598 ( 4.104 2.369 -0.440) 4.759 10.696 ( 6.889 3.977 5.446) 9.640 11.106 ( 1.532 0.884 -3.575) 3.989 ======================= Grid point 629 (106/261) ======================= q-point: (-0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -10.728 -6.194 21.740) 25.022 2.118 ( -28.026 -16.181 15.912) 36.062 3.056 ( -48.668 -28.099 7.986) 56.762 6.506 ( -3.081 -1.779 -11.336) 11.881 6.947 ( -13.219 -7.632 -9.410) 17.931 8.791 ( 0.416 0.240 7.655) 7.670 9.015 ( -3.156 -1.822 6.118) 7.121 9.361 ( 0.953 0.550 -5.872) 5.974 9.886 ( 1.381 0.797 -0.885) 1.824 10.697 ( 4.205 2.428 1.064) 4.970 10.851 ( 4.256 2.457 9.351) 10.564 11.217 ( 10.659 6.154 5.244) 13.378 ======================= Grid point 630 (107/261) ======================= q-point: (-0.06 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -17.273 -9.973 25.844) 32.646 1.520 ( -22.001 -12.702 21.215) 33.098 2.111 ( -26.168 -15.108 26.308) 40.064 6.461 ( -0.683 -0.394 -10.990) 11.018 6.651 ( -11.565 -6.677 -11.896) 17.884 8.818 ( 1.921 1.109 6.656) 7.016 8.936 ( -3.326 -1.920 6.015) 7.136 9.393 ( 1.493 0.862 -7.575) 7.768 9.911 ( 0.959 0.554 -1.196) 1.630 10.783 ( 3.006 1.736 2.184) 4.101 10.870 ( -1.409 -0.813 3.735) 4.074 11.642 ( 23.766 13.721 14.728) 31.145 ======================= Grid point 632 (108/261) ======================= q-point: ( 0.06 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 6.748 10.233 24.213) 27.139 1.906 ( 11.698 30.705 17.119) 37.050 2.779 ( 28.071 43.508 11.635) 53.068 6.537 ( 6.051 1.340 -11.022) 12.645 6.818 ( 3.064 14.229 -10.746) 18.092 8.806 ( 0.681 -1.790 6.983) 7.241 8.963 ( -1.557 3.742 6.410) 7.584 9.362 ( -1.296 -1.344 -6.228) 6.502 9.895 ( -0.626 -1.326 -0.794) 1.668 10.761 ( 1.436 -4.562 1.492) 5.010 10.880 ( 0.751 0.194 5.626) 5.680 11.273 ( -11.587 -15.991 11.282) 22.743 ======================= Grid point 633 (109/261) ======================= q-point: ( 0.12 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 12.839 11.808 12.541) 21.484 2.527 ( 20.208 33.455 12.345) 40.988 3.789 ( 37.344 39.005 3.598) 54.119 6.664 ( 5.692 2.621 -10.829) 12.511 7.049 ( 7.888 13.058 -7.098) 16.826 8.785 ( -0.684 -3.887 6.745) 7.815 8.956 ( -3.650 4.335 5.608) 7.973 9.342 ( 0.355 -0.135 -1.860) 1.899 9.836 ( -3.903 -3.928 -0.177) 5.540 10.723 ( -0.308 -4.555 1.047) 4.684 10.884 ( -0.330 -5.954 8.530) 10.408 11.030 ( -3.769 0.039 -3.345) 5.039 ======================= Grid point 634 (110/261) ======================= q-point: ( 0.18 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 22.225 15.818 1.545) 27.323 3.236 ( 21.425 33.397 9.037) 40.695 4.818 ( 38.587 32.120 -2.389) 50.263 6.779 ( 3.458 4.100 -10.900) 12.148 7.354 ( 12.494 11.455 -2.531) 17.139 8.685 ( -4.494 -6.412 5.607) 9.630 8.930 ( -4.943 4.869 4.880) 8.483 9.367 ( 2.387 -1.506 3.383) 4.406 9.674 ( -7.803 -6.296 0.785) 10.057 10.680 ( -0.801 -1.624 -0.036) 1.811 10.772 ( -3.306 -4.485 -2.876) 6.270 11.081 ( 4.464 1.361 -2.023) 5.086 ======================= Grid point 635 (111/261) ======================= q-point: ( 0.24 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.056 ( 29.607 17.438 -4.161) 34.612 3.924 ( 18.992 32.249 6.528) 37.991 5.756 ( 35.278 24.677 -7.470) 43.695 6.868 ( 1.569 5.103 -11.050) 12.272 7.688 ( 12.716 8.582 1.057) 15.377 8.540 ( -3.735 -4.951 6.228) 8.789 8.861 ( -7.798 2.818 5.555) 9.981 9.285 ( -8.082 -9.497 1.149) 12.523 9.544 ( 0.480 -2.187 6.111) 6.508 10.641 ( -2.023 -1.857 -2.411) 3.654 10.725 ( 0.608 0.414 -6.867) 6.906 11.160 ( 3.753 -0.871 -0.710) 3.917 ======================= Grid point 636 (112/261) ======================= q-point: ( 0.29 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( 32.046 16.201 -5.652) 36.350 4.534 ( 14.708 29.894 4.683) 33.643 6.503 ( 25.839 13.252 -11.851) 31.364 6.955 ( 1.936 9.166 -10.920) 14.388 7.882 ( 1.859 0.916 2.215) 3.033 8.542 ( 7.294 1.656 9.868) 12.382 8.713 ( -10.160 -0.415 7.375) 12.562 8.992 ( -11.660 -9.456 -1.670) 15.105 9.559 ( 2.372 -2.915 9.901) 10.590 10.601 ( 1.022 -3.324 -5.615) 6.604 10.767 ( 0.788 3.825 -5.337) 6.613 11.185 ( 1.405 -2.992 0.830) 3.408 ======================= Grid point 637 (113/261) ======================= q-point: ( 0.35 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.453 ( 27.791 12.178 -4.978) 30.748 5.026 ( 8.928 26.027 3.441) 27.730 6.799 ( 5.902 -4.086 -12.788) 14.665 7.204 ( 5.573 18.402 -14.899) 24.324 7.834 ( -1.866 -3.661 7.645) 8.679 8.507 ( -9.342 -2.891 9.494) 13.629 8.660 ( -3.925 -3.064 4.093) 6.445 8.859 ( 8.052 2.318 3.338) 9.020 9.569 ( 3.055 -2.411 11.534) 12.173 10.609 ( 3.383 -3.365 -6.106) 7.749 10.796 ( -1.853 1.772 -2.785) 3.785 11.160 ( 0.278 -3.686 1.514) 3.995 ======================= Grid point 638 (114/261) ======================= q-point: ( 0.41 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.928 ( 14.824 4.673 -4.007) 16.052 5.351 ( 0.924 20.187 2.809) 20.402 6.800 ( 2.510 -6.614 -11.203) 13.250 7.303 ( -11.367 12.330 -15.965) 23.155 7.848 ( 6.723 -1.879 8.285) 10.834 8.354 ( -4.475 -2.145 11.555) 12.576 8.603 ( 1.488 1.202 2.064) 2.814 9.016 ( 3.919 1.538 5.341) 6.801 9.664 ( 9.486 -0.463 10.381) 14.069 10.630 ( 1.551 -3.409 -4.641) 5.963 10.711 ( -6.089 -3.047 1.444) 6.961 11.144 ( 1.532 -2.622 -0.311) 3.052 ======================= Grid point 639 (115/261) ======================= q-point: ( 0.47 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.006 ( -5.397 -6.190 -4.577) 9.402 5.454 ( -8.582 13.646 2.782) 16.359 6.799 ( 3.991 -3.888 -9.426) 10.950 7.185 ( -11.930 8.858 -11.260) 18.643 7.985 ( 8.801 1.621 2.265) 9.231 8.325 ( 2.245 0.502 12.103) 12.320 8.689 ( 4.179 1.069 3.672) 5.665 9.059 ( 1.295 1.738 6.273) 6.637 9.803 ( 4.920 -3.802 7.132) 9.462 10.507 ( -4.961 -5.854 5.607) 9.503 10.659 ( 0.077 -0.717 -4.820) 4.874 11.141 ( 0.714 -2.947 -1.538) 3.400 ======================= Grid point 641 (116/261) ======================= q-point: (-0.47 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( -19.972 -13.448 -6.407) 24.915 5.327 ( -18.309 8.130 2.847) 20.234 6.849 ( 3.206 -0.250 -8.706) 9.281 7.089 ( -8.156 6.096 -9.831) 14.154 8.173 ( 9.157 2.455 1.229) 9.560 8.431 ( 7.515 2.669 11.399) 13.912 8.699 ( -2.278 -3.195 1.148) 4.088 9.145 ( 6.160 2.312 6.510) 9.256 9.680 ( -10.051 -7.769 12.526) 17.840 10.459 ( 4.544 -5.890 -0.603) 7.463 10.663 ( -0.230 2.809 -3.476) 4.475 11.099 ( -1.810 -3.244 -1.490) 4.002 ======================= Grid point 642 (117/261) ======================= q-point: (-0.41 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( -26.031 -15.258 -8.090) 31.239 4.996 ( -26.190 4.096 3.332) 26.717 6.865 ( -2.450 -1.036 -8.924) 9.312 6.989 ( -8.917 2.198 -10.543) 13.982 8.261 ( -2.964 -4.109 -1.120) 5.189 8.602 ( -0.579 -2.926 3.359) 4.492 8.620 ( 10.325 2.836 10.233) 14.811 9.290 ( 7.938 -0.104 3.209) 8.562 9.448 ( -7.642 -1.389 18.693) 20.242 10.465 ( 3.283 -6.963 -6.359) 9.985 10.706 ( -0.358 4.093 -5.170) 6.604 11.029 ( -2.234 -1.954 -0.171) 2.973 ======================= Grid point 643 (118/261) ======================= q-point: (-0.35 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.483 ( -27.723 -14.077 -8.192) 32.153 4.513 ( -31.658 1.174 4.587) 32.010 6.586 ( -23.065 -12.722 -9.829) 28.115 6.885 ( -6.150 3.152 -10.967) 12.963 8.009 ( -13.077 -8.474 0.990) 15.614 8.652 ( 5.531 -1.442 6.850) 8.921 8.833 ( 10.248 3.020 7.681) 13.159 9.335 ( -0.427 0.464 8.061) 8.086 9.476 ( 7.054 1.163 8.861) 11.385 10.457 ( 2.613 -3.543 -6.994) 8.264 10.686 ( -5.079 1.926 -8.051) 9.712 11.015 ( 1.361 0.340 -0.199) 1.417 ======================= Grid point 644 (119/261) ======================= q-point: (-0.29 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( -26.548 -11.146 -5.382) 29.291 3.927 ( -35.224 -1.170 6.696) 35.874 5.856 ( -39.903 -19.726 -7.636) 45.162 6.799 ( -6.780 1.992 -10.993) 13.068 7.710 ( -12.517 -6.875 1.717) 14.384 8.720 ( 4.523 -2.754 6.780) 8.603 9.012 ( 5.831 2.952 6.352) 9.114 9.343 ( 1.019 -0.871 4.910) 5.090 9.613 ( 7.611 0.422 5.162) 9.206 10.499 ( 3.211 1.807 -4.624) 5.913 10.616 ( -3.711 1.825 -6.903) 8.047 11.052 ( 1.886 0.269 -2.561) 3.192 ======================= Grid point 645 (120/261) ======================= q-point: (-0.24 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -22.474 -7.185 1.626) 23.650 3.271 ( -37.004 -3.272 9.524) 38.350 4.862 ( -49.633 -19.551 -3.072) 53.433 6.694 ( -7.024 1.479 -11.079) 13.201 7.418 ( -13.366 -6.427 -1.721) 14.931 8.757 ( 2.916 -2.398 6.858) 7.829 9.077 ( -0.077 0.234 6.350) 6.355 9.346 ( 0.720 -1.467 0.351) 1.672 9.747 ( 7.106 0.144 2.047) 7.396 10.578 ( 1.558 3.883 -0.815) 4.263 10.642 ( 4.161 4.163 -1.489) 6.071 11.076 ( 1.309 -0.922 -3.866) 4.184 ======================= Grid point 646 (121/261) ======================= q-point: (-0.18 0.06 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -16.068 -3.092 13.021) 20.912 2.581 ( -36.771 -5.319 12.821) 39.303 3.779 ( -54.436 -12.463 2.852) 55.917 6.595 ( -6.150 2.283 -11.100) 12.893 7.116 ( -14.013 -5.885 -6.611) 16.574 8.779 ( 1.466 -0.535 7.438) 7.600 9.038 ( -2.251 -2.695 6.111) 7.048 9.345 ( 0.614 -0.538 -3.456) 3.551 9.848 ( 4.095 0.057 -0.270) 4.105 10.661 ( 3.691 3.578 0.572) 5.172 10.794 ( 6.153 5.253 8.471) 11.713 11.096 ( 4.114 -2.085 -2.457) 5.226 ======================= Grid point 651 (122/261) ======================= q-point: ( 0.12 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 12.949 18.952 3.405) 23.204 3.247 ( 20.004 36.567 9.555) 42.762 4.636 ( 24.195 44.078 -2.107) 50.326 6.743 ( 5.934 4.999 -10.141) 12.769 7.324 ( 5.496 13.824 -3.386) 15.257 8.709 ( -4.309 -3.555 6.834) 8.827 9.045 ( -2.135 3.978 5.449) 7.076 9.328 ( -0.410 -1.601 0.364) 1.692 9.729 ( -5.813 -6.395 0.992) 8.699 10.648 ( 1.910 -2.233 0.020) 2.938 10.739 ( 0.545 -7.470 -0.111) 7.491 11.053 ( -0.203 0.935 -3.627) 3.751 ======================= Grid point 652 (123/261) ======================= q-point: ( 0.18 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 21.319 20.257 -2.687) 29.531 3.971 ( 18.904 38.056 6.954) 43.058 5.481 ( 27.306 33.134 -6.728) 43.460 6.887 ( 3.736 6.478 -9.032) 11.727 7.585 ( 9.503 11.058 -0.352) 14.584 8.573 ( -5.682 -4.560 7.018) 10.116 9.026 ( -5.494 3.857 4.908) 8.316 9.270 ( -2.280 -7.778 2.066) 8.364 9.554 ( -5.385 -5.308 2.453) 7.949 10.641 ( -1.461 -5.655 -2.988) 6.561 10.704 ( 2.588 1.128 -4.311) 5.154 11.085 ( 2.916 -0.895 -1.965) 3.628 ======================= Grid point 653 (124/261) ======================= q-point: ( 0.24 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.423 ( 27.318 18.941 -4.838) 33.592 4.647 ( 13.961 38.027 5.092) 40.828 6.222 ( 24.727 20.945 -10.549) 34.080 7.011 ( 2.489 9.113 -7.772) 12.233 7.833 ( 6.878 5.459 1.112) 8.851 8.472 ( 0.124 -1.662 9.060) 9.212 8.908 ( -10.674 0.479 5.696) 12.109 9.070 ( -8.724 -10.191 -0.761) 13.437 9.481 ( 1.446 -3.793 6.005) 7.248 10.553 ( -0.713 -6.321 -7.322) 9.699 10.782 ( 2.223 4.100 -2.473) 5.279 11.113 ( 2.479 -3.509 -0.279) 4.305 ======================= Grid point 654 (125/261) ======================= q-point: ( 0.29 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.093 ( 28.319 15.463 -4.545) 32.584 5.209 ( 7.476 35.863 3.873) 36.838 6.669 ( 9.468 4.747 -11.716) 15.794 7.234 ( 9.960 16.151 -7.524) 20.413 7.864 ( -4.290 -2.280 2.092) 5.290 8.588 ( 9.874 2.117 10.388) 14.487 8.685 ( -12.494 -2.100 7.764) 14.859 8.829 ( -6.942 -6.302 -2.774) 9.778 9.485 ( 2.788 -3.786 7.727) 9.045 10.507 ( 2.716 -5.805 -8.141) 10.361 10.836 ( -0.435 1.858 -0.843) 2.086 11.100 ( 1.239 -4.897 1.043) 5.158 ======================= Grid point 655 (126/261) ======================= q-point: ( 0.35 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.671 ( 21.731 9.483 -3.355) 23.946 5.617 ( -0.242 31.717 3.082) 31.867 6.734 ( 0.058 -1.907 -9.013) 9.213 7.580 ( 4.110 18.295 -14.527) 23.720 7.711 ( -3.146 -8.664 8.012) 12.212 8.467 ( -10.481 -0.596 11.017) 15.218 8.612 ( -2.151 -1.263 1.091) 2.722 8.892 ( 11.269 0.092 4.085) 11.987 9.513 ( 5.163 -2.822 7.632) 9.636 10.527 ( 5.107 -4.645 -7.116) 9.915 10.776 ( -5.230 -4.381 2.989) 7.449 11.078 ( 1.742 -4.026 0.163) 4.390 ======================= Grid point 656 (127/261) ======================= q-point: ( 0.41 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.970 ( 5.283 -0.238 -2.719) 5.946 5.825 ( -9.715 26.379 2.643) 28.235 6.719 ( 1.746 -1.106 -6.767) 7.075 7.482 ( -11.748 1.878 -3.893) 12.518 7.852 ( 7.627 5.342 -4.479) 10.333 8.337 ( -3.516 0.872 12.579) 13.090 8.630 ( 3.003 0.720 2.859) 4.208 9.026 ( 4.605 -0.885 3.399) 5.792 9.623 ( 9.558 -2.932 4.653) 11.027 10.538 ( -3.449 -6.473 1.091) 7.415 10.622 ( -0.222 -4.849 0.291) 4.862 11.074 ( 2.260 -4.217 -0.935) 4.875 ======================= Grid point 657 (128/261) ======================= q-point: (-0.53 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.839 ( -13.218 -9.285 -3.662) 16.563 5.808 ( -19.294 20.669 2.659) 28.400 6.790 ( 4.698 2.638 -5.753) 7.882 7.318 ( -10.161 3.361 -5.523) 12.043 8.026 ( 8.486 2.700 -1.994) 9.125 8.369 ( 3.360 4.359 11.622) 12.859 8.664 ( 1.405 -4.160 2.843) 5.231 9.079 ( 3.373 -0.439 3.276) 4.723 9.696 ( 0.930 -5.138 4.486) 6.884 10.357 ( -2.336 -9.071 4.081) 10.217 10.653 ( 3.209 -0.035 -2.538) 4.091 11.065 ( 1.376 -4.167 -1.017) 4.505 ======================= Grid point 658 (129/261) ======================= q-point: (-0.47 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( -23.152 -11.981 -5.410) 26.624 5.575 ( -27.842 15.418 2.816) 31.950 6.889 ( 1.336 3.394 -6.074) 7.085 7.181 ( -9.484 2.867 -7.842) 12.636 8.189 ( 6.967 -0.886 -0.399) 7.034 8.504 ( 5.625 3.666 11.911) 13.673 8.584 ( -1.822 -7.097 1.291) 7.440 9.149 ( 6.067 -2.157 2.962) 7.087 9.567 ( -7.607 -2.941 11.060) 13.742 10.309 ( 5.103 -8.007 -4.487) 10.501 10.720 ( 2.809 2.465 -2.149) 4.311 11.035 ( -0.673 -2.788 -0.285) 2.882 ======================= Grid point 659 (130/261) ======================= q-point: (-0.41 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.838 ( -27.129 -10.412 -6.614) 29.802 5.163 ( -34.313 11.244 3.402) 36.268 6.805 ( -12.978 -5.718 -8.669) 16.622 7.058 ( -8.134 4.881 -8.582) 12.792 8.123 ( -8.812 -8.404 -1.905) 12.325 8.521 ( 5.513 -4.355 11.990) 13.897 8.697 ( 8.669 4.505 5.324) 11.126 9.241 ( 7.692 -4.243 3.466) 9.444 9.460 ( -2.861 0.879 10.110) 10.544 10.341 ( 5.759 -4.325 -8.538) 11.171 10.771 ( -1.029 2.623 -4.150) 5.016 11.003 ( -0.163 -0.629 0.686) 0.945 ======================= Grid point 660 (131/261) ======================= q-point: (-0.35 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( -28.145 -6.789 -6.144) 29.597 4.616 ( -38.781 7.303 4.822) 39.756 6.311 ( -30.972 -13.290 -9.716) 35.076 6.968 ( -8.353 4.380 -8.624) 12.780 7.857 ( -11.601 -5.967 1.529) 13.135 8.585 ( 6.044 -4.400 9.578) 12.150 8.908 ( 9.741 4.274 4.680) 11.621 9.295 ( 2.932 -4.573 4.968) 7.362 9.486 ( 5.231 -0.547 4.670) 7.034 10.430 ( 6.243 1.222 -8.164) 10.349 10.729 ( -5.620 2.189 -4.244) 7.375 11.024 ( 1.802 0.642 -0.937) 2.130 ======================= Grid point 661 (132/261) ======================= q-point: (-0.29 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( -26.830 -2.421 -3.046) 27.110 3.966 ( -41.299 2.904 7.013) 41.991 5.525 ( -43.219 -11.047 -6.803) 45.125 6.855 ( -8.424 2.842 -9.295) 12.862 7.597 ( -13.018 -3.696 0.177) 13.534 8.644 ( 5.785 -4.129 7.613) 10.415 9.069 ( 2.901 1.959 5.563) 6.572 9.290 ( 3.000 -3.532 2.014) 5.053 9.597 ( 8.297 -1.817 2.628) 8.891 10.572 ( 5.888 4.589 -3.968) 8.454 10.662 ( -3.559 2.413 -3.896) 5.802 11.054 ( 0.768 0.323 -2.764) 2.887 ======================= Grid point 669 (133/261) ======================= q-point: ( 0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 18.093 23.201 -4.823) 29.815 4.722 ( 21.817 35.534 5.355) 42.040 6.128 ( 14.167 30.212 -10.051) 34.849 7.030 ( 5.528 7.351 -6.644) 11.347 7.792 ( 5.212 9.456 0.753) 10.823 8.501 ( -5.438 -2.687 9.316) 11.117 8.986 ( -2.783 -9.372 3.991) 10.559 9.167 ( -8.959 -0.551 3.144) 9.510 9.461 ( -3.164 -3.553 2.545) 5.396 10.489 ( -0.632 -8.496 -7.893) 11.614 10.768 ( 3.942 3.813 -1.921) 5.811 11.049 ( 1.053 -2.447 -1.112) 2.887 ======================= Grid point 670 (134/261) ======================= q-point: ( 0.24 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( 22.872 19.843 -4.289) 30.582 5.408 ( 14.397 36.449 4.583) 39.456 6.584 ( 10.072 15.067 -11.336) 21.377 7.215 ( 7.066 9.652 -3.435) 12.445 7.910 ( -0.643 2.781 -0.656) 2.928 8.459 ( 3.986 -0.372 10.917) 11.628 8.811 ( -5.826 -7.485 1.662) 9.630 8.963 ( -12.430 -2.127 4.480) 13.382 9.419 ( 0.622 -1.668 3.053) 3.534 10.402 ( 1.036 -8.435 -9.166) 12.499 10.844 ( 1.145 0.891 0.052) 1.451 11.035 ( 0.882 -3.562 0.332) 3.684 ======================= Grid point 671 (135/261) ======================= q-point: ( 0.29 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.397 ( 22.528 14.753 -2.529) 27.047 5.939 ( 4.543 35.624 4.116) 36.147 6.753 ( -0.621 4.443 -8.080) 9.242 7.459 ( 10.700 1.303 1.602) 10.897 7.855 ( -6.016 5.254 -6.007) 9.994 8.573 ( 5.229 -3.177 9.298) 11.131 8.709 ( -6.559 -5.966 -1.057) 8.929 8.718 ( -3.970 5.407 7.356) 9.955 9.428 ( 2.077 -1.489 3.112) 4.027 10.373 ( 5.086 -7.419 -8.586) 12.435 10.802 ( -3.467 -5.487 3.428) 7.340 11.016 ( 0.866 -3.177 0.161) 3.297 ======================= Grid point 672 (136/261) ======================= q-point: ( 0.35 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.838 ( 13.163 7.299 -0.623) 15.064 6.276 ( -5.802 32.937 3.366) 33.614 6.730 ( -3.176 1.533 -4.603) 5.799 7.479 ( 1.710 -13.259 8.332) 15.753 7.937 ( -0.300 16.324 -14.816) 22.047 8.469 ( -9.620 -0.415 10.250) 14.064 8.601 ( 0.708 -0.783 2.469) 2.685 8.865 ( 9.704 -1.595 3.144) 10.324 9.475 ( 4.957 -0.187 1.333) 5.137 10.425 ( 7.728 -5.389 -6.389) 11.384 10.625 ( -7.148 -10.024 6.746) 14.039 10.997 ( 1.259 -4.224 -0.405) 4.426 ======================= Grid point 673 (137/261) ======================= q-point: ( 0.41 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.942 ( -4.942 -1.747 -0.004) 5.242 6.384 ( -17.423 27.956 2.374) 33.026 6.748 ( 3.279 3.534 -2.741) 5.545 7.383 ( 0.865 -8.792 6.072) 10.720 8.042 ( -3.335 10.307 -13.121) 17.016 8.398 ( -0.635 5.249 11.631) 12.776 8.593 ( 0.804 -5.565 2.339) 6.090 8.977 ( 6.380 -3.542 1.960) 7.556 9.591 ( 6.469 0.917 -1.038) 6.616 10.350 ( -8.045 -11.691 5.432) 15.196 10.542 ( 7.782 -3.340 -1.368) 8.578 10.983 ( 2.364 -4.453 -0.429) 5.060 ======================= Grid point 675 (138/261) ======================= q-point: (-0.53 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.675 ( -18.971 -6.151 -1.481) 19.998 6.241 ( -26.477 20.743 2.630) 33.737 6.883 ( 4.694 6.043 -2.627) 8.090 7.309 ( -2.972 -3.762 0.076) 4.795 8.097 ( 2.206 3.956 -4.616) 6.467 8.494 ( 1.161 4.840 10.401) 11.531 8.509 ( 0.961 -8.074 0.264) 8.135 9.033 ( 4.552 -3.804 1.736) 6.181 9.638 ( -2.887 -1.027 3.074) 4.340 10.158 ( 1.080 -9.527 -0.802) 9.621 10.652 ( 6.538 -0.096 -0.183) 6.541 10.989 ( 2.388 -3.045 0.056) 3.870 ======================= Grid point 676 (139/261) ======================= q-point: (-0.47 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.221 ( -25.407 -4.843 -3.610) 26.115 5.894 ( -33.293 14.509 3.245) 36.462 6.932 ( -5.526 -0.793 -5.738) 8.006 7.224 ( -4.670 2.544 -3.800) 6.536 8.128 ( -1.090 -5.678 -4.293) 7.201 8.410 ( 1.710 -4.548 10.571) 11.635 8.630 ( 4.789 5.140 4.530) 8.359 9.070 ( 5.486 -5.247 3.588) 8.396 9.521 ( -5.055 -3.258 5.895) 8.422 10.187 ( 7.208 -2.612 -8.227) 11.245 10.761 ( 4.581 1.709 -0.522) 4.917 10.995 ( 0.637 -1.147 0.747) 1.510 ======================= Grid point 677 (140/261) ======================= q-point: (-0.41 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.720 ( -28.198 -0.728 -4.980) 28.644 5.379 ( -38.481 8.020 4.093) 39.521 6.656 ( -19.993 -7.407 -10.255) 23.659 7.161 ( -8.189 4.358 -4.631) 10.368 7.974 ( -7.288 -5.318 -1.112) 9.091 8.451 ( 4.375 -2.143 11.977) 12.929 8.783 ( 8.429 3.443 2.955) 9.572 9.132 ( 7.780 -6.642 5.662) 11.692 9.441 ( -0.621 -2.453 2.680) 3.686 10.320 ( 7.806 2.183 -9.414) 12.423 10.817 ( -1.175 1.923 -1.621) 2.775 11.003 ( 1.294 0.691 0.536) 1.562 ======================= Grid point 688 (141/261) ======================= q-point: ( 0.24 0.24 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( 17.139 20.156 -2.408) 26.567 6.079 ( 18.932 29.327 4.485) 35.193 6.846 ( -0.528 11.192 -7.863) 13.688 7.311 ( 5.880 -1.676 0.663) 6.150 7.992 ( -3.821 6.482 -5.107) 9.094 8.422 ( 3.739 -3.866 9.659) 11.055 8.697 ( -1.132 -4.245 0.936) 4.492 8.939 ( -9.541 0.423 7.607) 12.209 9.434 ( -2.053 3.557 1.068) 4.243 10.225 ( 1.476 -8.760 -9.307) 12.865 10.791 ( -1.935 -5.665 1.848) 6.265 10.988 ( -0.352 -1.571 0.660) 1.740 ======================= Grid point 689 (142/261) ======================= q-point: ( 0.29 0.24 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.689 ( 15.366 14.076 0.809) 20.855 6.591 ( 6.367 25.939 5.231) 27.216 6.882 ( -6.268 10.601 -3.808) 12.890 7.296 ( 2.226 -13.287 4.806) 14.303 8.069 ( 1.880 12.756 -9.606) 16.078 8.435 ( 4.718 -10.858 5.335) 12.985 8.629 ( -3.662 -1.425 0.902) 4.032 8.847 ( -4.011 4.928 7.455) 9.795 9.454 ( -0.228 5.459 -0.189) 5.467 10.214 ( 7.338 -8.130 -7.445) 13.243 10.642 ( -6.157 -9.608 4.983) 12.452 10.952 ( -0.629 -3.495 0.279) 3.562 ======================= Grid point 690 (143/261) ======================= q-point: ( 0.35 0.24 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.975 ( 3.787 6.343 3.436) 8.147 6.755 ( -0.956 5.027 2.434) 5.667 6.948 ( -12.031 27.971 -0.363) 30.451 7.205 ( 4.824 -12.248 7.224) 15.015 8.219 ( -2.438 8.563 -12.849) 15.632 8.407 ( 5.912 -4.330 7.482) 10.473 8.545 ( -4.038 -3.072 0.476) 5.096 8.856 ( 2.118 -1.148 4.033) 4.698 9.549 ( 2.729 8.570 -1.928) 9.198 10.314 ( 11.397 -5.600 -3.978) 13.307 10.388 ( -9.270 -13.168 6.596) 17.402 10.912 ( 0.715 -3.887 0.222) 3.959 ======================= Grid point 691 (144/261) ======================= q-point: (-0.59 0.24 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.924 ( -12.363 0.269 3.223) 12.779 6.843 ( -2.944 8.195 -1.951) 8.924 6.873 ( -11.464 12.892 5.373) 18.069 7.229 ( 2.260 -2.254 5.613) 6.457 8.184 ( -3.021 2.438 -8.135) 9.014 8.411 ( -3.120 -9.609 -1.594) 10.228 8.538 ( 2.655 7.465 7.320) 10.787 8.898 ( 5.815 -4.275 0.948) 7.279 9.676 ( 0.152 6.428 -1.316) 6.563 10.096 ( -6.173 -11.938 2.153) 13.611 10.480 ( 11.611 -2.793 0.678) 11.962 10.909 ( 2.820 -2.579 0.417) 3.844 ======================= Grid point 692 (145/261) ======================= q-point: (-0.53 0.24 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.615 ( -21.674 0.489 0.492) 21.685 6.568 ( -27.653 9.686 3.581) 29.519 6.995 ( -1.358 2.642 -0.554) 3.022 7.217 ( 4.433 -2.848 1.274) 5.421 8.145 ( -6.519 -1.208 -7.525) 10.029 8.329 ( 4.517 -2.462 3.882) 6.444 8.624 ( 1.549 3.748 5.347) 6.711 8.948 ( 3.618 -4.229 3.173) 6.407 9.577 ( -7.604 -6.545 3.320) 10.568 10.065 ( 5.755 2.323 -7.366) 9.632 10.649 ( 9.258 -0.209 2.355) 9.555 10.949 ( 3.206 -0.900 0.660) 3.394 ======================= Grid point 706 (146/261) ======================= q-point: ( 0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.950 ( 8.504 11.042 4.794) 14.738 6.862 ( -4.090 5.936 4.019) 8.253 7.007 ( 3.254 -11.898 4.145) 13.013 7.283 ( 6.900 21.018 0.938) 22.141 8.185 ( -2.075 -11.932 -0.276) 12.114 8.322 ( 5.283 11.347 -6.085) 13.918 8.616 ( -2.165 -0.555 2.628) 3.450 8.840 ( -3.239 -5.128 1.026) 6.151 9.674 ( -1.067 14.616 2.921) 14.943 10.057 ( 7.655 -6.771 -4.693) 11.246 10.429 ( -9.187 -11.295 3.249) 14.918 10.884 ( -1.492 -2.774 0.679) 3.222 ======================= Grid point 707 (147/261) ======================= q-point: ( 0.35 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.081 ( -2.657 3.485 6.959) 8.224 6.840 ( 0.795 4.342 3.477) 5.619 6.951 ( 1.519 -8.838 4.446) 10.009 7.529 ( -11.866 23.848 1.686) 26.691 8.045 ( 7.400 -16.569 -0.698) 18.160 8.511 ( -4.157 -0.107 3.149) 5.216 8.547 ( 0.175 9.999 -6.427) 11.887 8.761 ( 3.475 -7.554 -1.953) 8.541 9.808 ( -2.915 15.040 1.935) 15.442 10.101 ( -5.519 -13.463 5.640) 15.605 10.217 ( 10.300 -4.340 -3.976) 11.863 10.855 ( 0.820 -1.485 0.839) 1.893 ======================= Grid point 921 (148/261) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.000 0.000 17.611) 17.611 1.631 ( 0.000 -0.000 17.611) 17.611 2.560 ( -0.000 0.000 27.717) 27.717 6.269 ( 0.000 0.000 -9.081) 9.081 6.269 ( 0.000 -0.000 -9.081) 9.081 8.977 ( 0.000 0.000 4.455) 4.455 8.977 ( 0.000 -0.000 4.455) 4.455 9.241 ( -0.000 -0.000 -8.419) 8.419 9.899 ( -0.000 0.000 -0.643) 0.643 10.885 ( 0.000 0.000 2.393) 2.393 10.885 ( 0.000 -0.000 2.393) 2.393 12.116 ( 0.000 0.000 3.779) 3.779 ======================= Grid point 922 (149/261) ======================= q-point: ( 0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 15.783 9.113 17.163) 25.034 2.027 ( 22.412 12.939 18.553) 31.842 2.597 ( 8.086 4.668 18.759) 20.954 6.323 ( 2.963 1.711 -9.945) 10.517 6.367 ( 9.350 5.398 -8.308) 13.623 8.954 ( -0.238 -0.138 5.377) 5.384 9.019 ( 1.210 0.699 3.954) 4.194 9.236 ( 0.132 0.076 -7.221) 7.223 9.894 ( -0.457 -0.264 -0.620) 0.814 10.878 ( -1.568 -0.905 1.641) 2.443 10.881 ( 0.731 0.422 2.050) 2.217 11.853 ( -19.902 -11.490 7.402) 24.143 ======================= Grid point 923 (150/261) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 1.059 0.611 21.016) 21.051 2.295 ( 25.637 14.802 14.321) 32.886 3.229 ( 39.984 23.085 2.209) 46.223 6.401 ( 3.531 2.039 -10.801) 11.545 6.667 ( 15.722 9.077 -5.814) 19.063 8.962 ( 0.847 0.489 6.090) 6.168 8.996 ( -3.479 -2.009 1.856) 4.426 9.285 ( 4.376 2.526 -1.679) 5.324 9.869 ( -2.088 -1.205 -0.897) 2.572 10.816 ( -3.570 -2.061 0.460) 4.148 10.919 ( 2.401 1.386 0.075) 2.773 11.337 ( -21.931 -12.662 7.862) 26.517 ======================= Grid point 924 (151/261) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 8.585 4.956 9.129) 13.476 2.933 ( 28.360 16.373 11.274) 34.633 4.208 ( 42.371 24.463 -1.986) 48.966 6.482 ( 3.416 1.972 -11.355) 12.020 7.073 ( 18.679 10.784 -1.944) 21.656 8.876 ( -6.301 -3.638 1.833) 7.504 8.982 ( 0.525 0.303 6.606) 6.633 9.424 ( 6.925 3.998 3.645) 8.788 9.777 ( -6.164 -3.559 -0.446) 7.131 10.721 ( -4.314 -2.491 -0.916) 5.065 10.853 ( -13.828 -7.984 -1.945) 16.086 11.031 ( 2.009 1.160 0.906) 2.490 ======================= Grid point 925 (152/261) ======================= q-point: ( 0.24 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 21.503 12.415 -1.593) 24.881 3.587 ( 27.451 15.849 8.564) 32.834 5.158 ( 38.688 22.336 -4.829) 44.933 6.556 ( 2.881 1.663 -11.548) 12.017 7.510 ( 17.960 10.369 0.722) 20.750 8.733 ( -5.124 -2.958 4.576) 7.480 8.972 ( -1.697 -0.980 7.114) 7.379 9.487 ( -8.085 -4.668 3.309) 9.905 9.672 ( 3.412 1.970 5.706) 6.934 10.592 ( -7.456 -4.305 -8.769) 12.289 10.629 ( -3.337 -1.926 -2.288) 4.481 11.117 ( 3.837 2.215 -1.887) 4.816 ======================= Grid point 926 (153/261) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 29.678 17.135 -7.501) 35.081 4.196 ( 24.588 14.196 6.347) 29.093 5.984 ( 31.562 18.223 -6.982) 37.108 6.615 ( 2.135 1.233 -11.440) 11.702 7.847 ( 9.559 5.519 1.029) 11.086 8.698 ( 3.630 2.096 8.729) 9.683 8.895 ( -4.853 -2.802 7.808) 9.610 9.184 ( -15.013 -8.668 1.849) 17.434 9.793 ( 4.120 2.379 11.298) 12.259 10.509 ( 0.272 0.157 -12.342) 12.346 10.574 ( -1.325 -0.765 -3.554) 3.869 11.189 ( 2.102 1.214 -2.156) 3.246 ======================= Grid point 927 (154/261) ======================= q-point: ( 0.35 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.000 ( 30.096 17.376 -9.459) 36.016 4.720 ( 20.193 11.658 4.700) 23.786 6.584 ( 18.894 10.909 -9.190) 23.674 6.655 ( 1.295 0.748 -11.054) 11.155 7.967 ( 2.891 1.669 4.021) 5.226 8.757 ( -6.601 -3.811 8.641) 11.522 8.838 ( -11.965 -6.908 -1.078) 13.858 8.894 ( 9.241 5.335 11.658) 15.804 9.845 ( 1.220 0.705 12.293) 12.373 10.562 ( 0.053 0.030 -4.653) 4.653 10.582 ( 4.906 2.833 -9.340) 10.924 11.209 ( -0.365 -0.211 -1.393) 1.456 ======================= Grid point 928 (155/261) ======================= q-point: ( 0.41 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.623 ( 21.837 12.608 -8.980) 26.766 5.121 ( 13.813 7.975 3.579) 16.347 6.675 ( 0.453 0.261 -10.384) 10.397 6.835 ( 3.389 1.957 -10.134) 10.863 8.038 ( 2.320 1.340 7.772) 8.221 8.613 ( -5.224 -3.016 9.239) 11.034 8.632 ( -2.708 -1.563 0.882) 3.249 9.089 ( 5.137 2.966 6.316) 8.665 9.901 ( 4.214 2.433 12.444) 13.361 10.566 ( 0.043 0.025 -5.438) 5.438 10.682 ( 2.664 1.538 -3.753) 4.853 11.180 ( -1.753 -1.012 -0.789) 2.172 ======================= Grid point 929 (156/261) ======================= q-point: ( 0.47 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.940 ( 3.973 2.294 -6.737) 8.151 5.343 ( 4.841 2.795 2.950) 6.321 6.679 ( -0.028 -0.016 -9.608) 9.608 6.834 ( -1.297 -0.749 -8.083) 8.221 8.057 ( 1.056 0.610 5.202) 5.343 8.538 ( -0.836 -0.483 9.139) 9.190 8.707 ( 5.968 3.446 2.767) 7.426 9.139 ( 0.391 0.226 3.597) 3.625 10.020 ( 4.618 2.666 10.582) 11.850 10.557 ( -0.818 -0.472 -5.686) 5.764 10.679 ( -2.723 -1.572 2.883) 4.266 11.145 ( -1.217 -0.703 -1.571) 2.108 ======================= Grid point 930 (157/261) ======================= q-point: (-0.47 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.794 ( -15.435 -8.911 -3.982) 18.262 5.335 ( -5.420 -3.129 2.936) 6.913 6.677 ( -0.121 -0.070 -9.230) 9.231 6.826 ( 0.429 0.247 -6.347) 6.366 8.147 ( 6.534 3.773 2.175) 7.852 8.580 ( 4.369 2.523 8.267) 9.685 8.763 ( -2.589 -1.495 1.281) 3.252 9.179 ( 3.801 2.195 1.934) 4.796 10.052 ( -2.573 -1.486 10.916) 11.313 10.528 ( -1.678 -0.969 -5.260) 5.605 10.606 ( -2.422 -1.399 5.108) 5.824 11.111 ( -1.912 -1.104 -1.668) 2.767 ======================= Grid point 931 (158/261) ======================= q-point: (-0.41 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.298 ( -25.594 -14.777 -2.882) 29.693 5.105 ( -13.903 -8.027 3.547) 16.441 6.668 ( -0.786 -0.454 -9.459) 9.502 6.813 ( -2.855 -1.648 -6.481) 7.271 8.290 ( 2.446 1.412 0.232) 2.834 8.643 ( -4.224 -2.439 -0.611) 4.916 8.726 ( 7.675 4.431 6.942) 11.257 9.289 ( 5.032 2.906 0.261) 5.817 9.925 ( -6.946 -4.010 16.341) 18.203 10.484 ( -1.904 -1.099 -4.243) 4.779 10.561 ( -2.356 -1.360 -1.367) 3.044 11.059 ( -2.163 -1.249 0.067) 2.499 ======================= Grid point 932 (159/261) ======================= q-point: (-0.35 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( -27.867 -16.089 -3.247) 32.342 4.709 ( -19.697 -11.372 4.621) 23.209 6.618 ( -15.405 -8.894 -8.212) 19.592 6.636 ( -2.074 -1.198 -9.849) 10.136 8.155 ( -10.893 -6.289 -1.585) 12.677 8.687 ( 5.326 3.075 2.400) 6.602 8.914 ( 7.983 4.609 5.485) 10.727 9.411 ( 5.553 3.206 -0.115) 6.413 9.778 ( -5.183 -2.992 16.997) 18.020 10.447 ( -1.084 -0.626 -2.887) 3.147 10.473 ( -4.915 -2.838 -8.282) 10.040 11.025 ( -0.690 -0.398 1.302) 1.526 ======================= Grid point 933 (160/261) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -24.630 -14.220 -2.816) 28.579 4.203 ( -23.497 -13.566 6.085) 27.806 6.069 ( -31.197 -18.012 -8.884) 37.102 6.572 ( -3.400 -1.963 -9.954) 10.701 7.884 ( -12.386 -7.151 0.441) 14.309 8.796 ( 3.694 2.133 2.261) 4.828 9.076 ( 5.584 3.224 4.128) 7.656 9.528 ( 3.006 1.736 7.078) 7.883 9.696 ( -1.331 -0.769 6.597) 6.774 10.387 ( -0.744 -0.429 -9.806) 9.843 10.444 ( 0.987 0.570 -1.417) 1.819 11.019 ( -0.043 -0.025 0.085) 0.098 ======================= Grid point 934 (161/261) ======================= q-point: (-0.24 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -16.534 -9.546 1.364) 19.141 3.627 ( -25.805 -14.899 7.855) 30.816 5.214 ( -41.205 -23.790 -6.647) 48.041 6.481 ( -4.250 -2.454 -9.666) 10.840 7.561 ( -15.489 -8.942 -0.349) 17.888 8.863 ( 2.247 1.298 2.144) 3.366 9.162 ( 1.747 1.009 3.098) 3.697 9.484 ( -5.436 -3.138 8.843) 10.844 9.739 ( 3.587 2.071 -1.907) 4.560 10.494 ( 10.029 5.790 -3.853) 12.205 10.498 ( 3.664 2.115 0.028) 4.230 11.017 ( -0.148 -0.086 -1.918) 1.925 ======================= Grid point 935 (162/261) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -6.029 -3.481 10.785) 12.836 3.014 ( -26.598 -15.356 9.806) 32.240 4.197 ( -45.290 -26.148 -2.666) 52.364 6.381 ( -4.123 -2.380 -9.135) 10.301 7.172 ( -17.552 -10.133 -3.972) 20.653 8.907 ( 1.566 0.904 3.726) 4.142 9.162 ( -1.500 -0.866 2.634) 3.152 9.346 ( -5.526 -3.190 1.574) 6.572 9.817 ( 2.866 1.655 -1.333) 3.568 10.606 ( 5.320 3.072 1.279) 6.275 10.814 ( 15.476 8.935 5.714) 18.762 11.022 ( 1.850 1.068 -4.300) 4.802 ======================= Grid point 936 (163/261) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -1.649 -0.952 22.232) 22.313 2.407 ( -24.991 -14.428 12.021) 31.260 3.167 ( -40.758 -23.531 2.408) 47.124 6.299 ( -2.787 -1.609 -8.666) 9.244 6.768 ( -16.549 -9.555 -7.896) 20.676 8.934 ( 0.736 0.425 6.008) 6.068 9.106 ( -3.032 -1.750 2.815) 4.492 9.253 ( -2.235 -1.291 -4.297) 5.013 9.869 ( 1.575 0.909 -0.766) 1.973 10.731 ( 5.117 2.954 2.172) 6.295 10.950 ( -0.650 -0.375 1.540) 1.713 11.342 ( 21.851 12.616 6.230) 25.989 ======================= Grid point 937 (164/261) ======================= q-point: (-0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -18.230 -10.525 14.886) 25.782 1.959 ( -23.483 -13.558 19.536) 33.421 2.584 ( -5.826 -3.363 19.591) 20.713 6.258 ( -0.625 -0.361 -8.596) 8.626 6.431 ( -11.620 -6.709 -9.628) 16.515 8.948 ( 0.739 0.427 5.930) 5.991 9.034 ( -2.955 -1.706 3.507) 4.893 9.235 ( 0.209 0.121 -7.590) 7.593 9.893 ( 0.588 0.339 -0.557) 0.878 10.833 ( 3.432 1.982 2.574) 4.726 10.918 ( -1.648 -0.951 1.485) 2.414 11.854 ( 19.721 11.386 7.224) 23.890 ======================= Grid point 939 (165/261) ======================= q-point: ( 0.06 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 6.509 17.295 19.435) 26.818 2.245 ( 6.538 13.823 18.119) 23.708 2.951 ( 22.271 33.079 4.437) 40.124 6.329 ( 5.525 1.480 -9.133) 10.776 6.623 ( 4.902 16.477 -8.130) 19.016 8.940 ( 0.014 -1.173 5.980) 6.094 9.058 ( -1.683 2.876 2.760) 4.327 9.250 ( 1.936 1.676 -4.380) 5.074 9.879 ( -0.691 -1.393 -0.726) 1.717 10.795 ( 0.525 -5.156 1.757) 5.472 10.930 ( -0.403 2.224 0.749) 2.381 11.478 ( -13.368 -22.723 8.072) 27.571 ======================= Grid point 940 (166/261) ======================= q-point: ( 0.12 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 3.576 2.596 14.190) 14.862 2.776 ( 18.291 30.425 11.632) 37.357 3.818 ( 33.890 34.104 -0.930) 48.088 6.447 ( 4.747 3.449 -10.133) 11.709 6.932 ( 11.509 15.730 -4.250) 19.949 8.898 ( -2.458 -4.215 3.961) 6.285 9.043 ( -3.063 4.141 3.600) 6.284 9.344 ( 5.534 2.974 1.399) 6.436 9.825 ( -3.402 -3.302 -0.750) 4.800 10.736 ( -1.359 -4.868 0.367) 5.067 10.960 ( -0.883 1.341 -2.291) 2.797 11.032 ( -11.070 -15.635 4.831) 19.757 ======================= Grid point 941 (167/261) ======================= q-point: ( 0.18 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 14.571 9.952 2.762) 17.860 3.424 ( 19.636 30.968 9.101) 37.781 4.750 ( 35.761 28.543 -4.105) 45.939 6.556 ( 2.403 5.641 -10.558) 12.209 7.323 ( 15.799 13.210 -0.554) 20.601 8.780 ( -4.919 -4.830 3.867) 7.904 9.034 ( -3.310 3.946 5.480) 7.520 9.468 ( 4.970 -0.934 5.490) 7.464 9.688 ( -5.955 -4.583 0.898) 7.567 10.656 ( -4.221 -5.198 -3.458) 7.536 10.688 ( -7.626 -5.957 -3.568) 10.314 11.051 ( 4.685 0.519 -1.246) 4.876 ======================= Grid point 942 (168/261) ======================= q-point: ( 0.24 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.961 ( 25.666 15.507 -4.961) 30.394 4.062 ( 17.584 30.213 6.700) 35.594 5.613 ( 32.955 22.123 -6.309) 40.190 6.645 ( 0.387 7.397 -10.432) 12.794 7.708 ( 13.850 8.759 0.865) 16.410 8.674 ( -1.262 -2.301 6.830) 7.317 8.987 ( -5.894 2.012 6.584) 9.063 9.325 ( -11.584 -10.324 2.894) 15.784 9.691 ( 6.546 -1.438 8.157) 10.557 10.489 ( -3.147 -6.298 -11.324) 13.335 10.639 ( -1.778 3.525 -2.657) 4.759 11.132 ( 4.286 -0.646 -2.036) 4.789 ======================= Grid point 943 (169/261) ======================= q-point: ( 0.29 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.630 ( 30.772 16.709 -8.259) 35.977 4.633 ( 13.768 28.254 4.766) 31.790 6.301 ( 23.662 12.172 -7.751) 27.715 6.735 ( 0.162 11.516 -10.370) 15.498 7.921 ( 4.407 1.853 1.738) 5.087 8.744 ( 8.539 2.015 8.763) 12.400 8.872 ( -7.494 0.216 7.904) 10.894 8.990 ( -13.372 -10.118 2.690) 16.983 9.769 ( 5.159 -4.416 10.726) 12.695 10.430 ( 3.230 -5.715 -10.938) 12.756 10.674 ( -1.115 7.577 -4.192) 8.730 11.177 ( 2.349 -2.260 -1.581) 3.623 ======================= Grid point 944 (170/261) ======================= q-point: ( 0.35 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.312 ( 27.914 13.801 -8.641) 32.316 5.098 ( 8.405 24.826 3.414) 26.432 6.595 ( 5.673 -0.380 -7.035) 9.045 6.922 ( 1.522 16.499 -12.614) 20.824 7.975 ( 3.554 -1.532 6.308) 7.401 8.694 ( -7.650 -4.020 4.122) 9.575 8.702 ( -8.472 -3.650 5.385) 10.682 8.986 ( 9.965 2.844 8.308) 13.282 9.801 ( 5.191 -4.906 11.056) 13.163 10.467 ( 6.213 -4.725 -7.609) 10.900 10.730 ( -1.422 6.404 -3.823) 7.593 11.169 ( 0.302 -3.556 -0.681) 3.633 ======================= Grid point 945 (171/261) ======================= q-point: ( 0.41 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.811 ( 15.271 6.488 -7.187) 18.082 5.408 ( 0.915 19.570 2.719) 19.779 6.632 ( 1.589 -1.508 -5.306) 5.740 7.004 ( -7.802 11.992 -13.199) 19.465 8.005 ( 3.004 -4.421 7.067) 8.861 8.570 ( -4.248 -1.284 9.409) 10.403 8.643 ( 3.644 2.340 2.072) 4.800 9.115 ( 3.151 -0.253 4.357) 5.382 9.878 ( 8.927 -4.881 10.157) 14.377 10.528 ( 4.203 -1.926 -4.912) 6.746 10.723 ( -3.895 0.342 -0.423) 3.932 11.133 ( 0.115 -3.381 -0.868) 3.493 ======================= Grid point 946 (172/261) ======================= q-point: ( 0.47 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.911 ( -5.549 -4.643 -4.547) 8.545 5.511 ( -8.361 13.496 2.711) 16.106 6.657 ( 2.061 0.626 -4.647) 5.122 6.955 ( -8.760 9.296 -10.905) 16.795 8.047 ( 6.484 -1.276 3.263) 7.370 8.542 ( 1.378 0.978 9.252) 9.405 8.753 ( 3.228 0.661 2.529) 4.153 9.139 ( 1.920 -0.233 2.185) 2.918 9.967 ( 6.669 -7.301 8.040) 12.744 10.563 ( -1.566 0.780 -4.362) 4.700 10.616 ( -2.623 -4.744 4.886) 7.298 11.108 ( 0.180 -2.727 -1.610) 3.172 ======================= Grid point 948 (173/261) ======================= q-point: (-0.47 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( -21.178 -12.584 -2.672) 24.779 5.389 ( -17.892 8.160 3.068) 19.903 6.703 ( 0.097 3.540 -5.697) 6.708 6.898 ( -6.558 5.188 -8.742) 12.098 8.195 ( 8.857 0.707 0.762) 8.918 8.619 ( 4.194 0.472 6.500) 7.750 8.724 ( -2.993 -0.974 1.645) 3.551 9.210 ( 5.443 0.362 1.150) 5.575 9.935 ( -0.747 -8.756 10.967) 14.053 10.447 ( -2.657 -7.867 -0.958) 8.358 10.621 ( -0.335 2.951 -0.189) 2.976 11.075 ( -1.145 -2.133 -0.743) 2.532 ======================= Grid point 949 (174/261) ======================= q-point: (-0.41 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.993 ( -27.437 -14.764 -2.782) 31.281 5.070 ( -25.144 4.171 3.826) 25.773 6.708 ( -4.381 3.040 -6.497) 8.405 6.786 ( -10.266 -0.590 -9.293) 13.860 8.235 ( -4.307 -6.317 -1.893) 7.876 8.626 ( 3.251 0.862 1.343) 3.622 8.818 ( 7.484 4.086 7.394) 11.286 9.317 ( 6.820 -0.075 -0.148) 6.822 9.805 ( -3.627 -7.277 15.214) 17.251 10.343 ( 0.903 -9.812 -5.464) 11.267 10.621 ( -4.312 4.558 -2.947) 6.932 11.036 ( -1.156 -0.960 1.031) 1.822 ======================= Grid point 950 (175/261) ======================= q-point: (-0.35 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.362 ( -27.544 -13.197 -3.386) 30.730 4.614 ( -29.903 1.381 5.030) 30.355 6.396 ( -23.927 -12.953 -8.722) 28.572 6.678 ( -6.943 4.888 -9.153) 12.485 8.013 ( -10.469 -7.336 -0.548) 12.796 8.729 ( 5.255 0.752 2.524) 5.878 8.992 ( 7.656 3.146 6.391) 10.457 9.447 ( 7.221 0.475 1.903) 7.483 9.687 ( -1.798 -6.070 11.786) 13.379 10.292 ( 3.517 -6.680 -8.822) 11.611 10.570 ( -6.516 5.509 -3.364) 9.172 11.020 ( -0.181 -0.234 0.960) 1.005 ======================= Grid point 951 (176/261) ======================= q-point: (-0.29 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -22.634 -9.242 -1.829) 24.517 4.066 ( -32.882 -0.745 6.662) 33.559 5.690 ( -37.142 -18.721 -8.208) 42.395 6.591 ( -7.677 3.463 -9.126) 12.418 7.733 ( -13.531 -7.613 0.523) 15.535 8.807 ( 4.073 -1.117 2.294) 4.806 9.129 ( 4.328 2.410 4.499) 6.692 9.502 ( -0.790 -4.437 10.467) 11.396 9.665 ( 5.106 -1.812 -0.595) 5.450 10.364 ( 8.569 1.260 -7.907) 11.728 10.535 ( -3.100 5.235 -1.402) 6.244 11.016 ( -0.071 -0.301 -0.746) 0.808 ======================= Grid point 952 (177/261) ======================= q-point: (-0.24 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -13.220 -4.325 4.374) 14.581 3.460 ( -34.276 -2.709 8.600) 35.442 4.774 ( -45.105 -18.202 -5.206) 48.917 6.486 ( -7.558 2.455 -9.017) 12.019 7.383 ( -17.044 -8.184 -1.721) 18.986 8.859 ( 3.614 -1.455 2.974) 4.902 9.175 ( -0.576 0.007 3.087) 3.140 9.403 ( -4.043 -3.776 5.218) 7.605 9.757 ( 5.298 -0.134 -0.999) 5.393 10.576 ( 2.111 4.580 0.609) 5.079 10.614 ( 15.123 5.832 -1.650) 16.293 11.008 ( -0.167 -0.848 -2.415) 2.565 ======================= Grid point 953 (178/261) ======================= q-point: (-0.18 0.06 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -3.312 -0.911 14.824) 15.216 2.826 ( -33.631 -4.779 10.811) 35.648 3.797 ( -48.376 -10.981 -1.125) 49.619 6.388 ( -6.278 2.543 -8.936) 11.213 6.992 ( -18.403 -7.006 -5.393) 20.416 8.906 ( 2.825 -0.585 4.589) 5.421 9.126 ( -2.335 -3.052 2.659) 4.673 9.308 ( -4.476 -0.033 -0.071) 4.477 9.834 ( 3.419 0.194 -0.921) 3.547 10.680 ( 4.595 3.779 1.396) 6.111 10.940 ( 5.485 3.230 5.051) 8.126 11.046 ( 15.472 0.864 -1.706) 15.590 ======================= Grid point 958 (179/261) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 7.421 10.373 5.205) 13.775 3.441 ( 18.483 34.130 9.102) 39.867 4.567 ( 22.225 39.449 -4.450) 45.497 6.545 ( 6.157 6.040 -8.931) 12.416 7.268 ( 7.415 17.051 -2.093) 18.711 8.819 ( -4.510 -3.511 3.837) 6.884 9.135 ( -2.266 4.512 3.553) 6.174 9.383 ( 2.963 0.448 4.435) 5.353 9.738 ( -4.958 -5.102 0.053) 7.114 10.645 ( -0.146 -4.372 -0.432) 4.395 10.710 ( -5.201 -13.834 -2.614) 15.009 10.998 ( 1.476 1.148 -1.593) 2.456 ======================= Grid point 959 (180/261) ======================= q-point: ( 0.18 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 17.642 16.541 -2.490) 24.312 4.117 ( 17.335 36.267 6.981) 40.798 5.340 ( 25.787 29.634 -6.786) 39.865 6.707 ( 3.460 9.011 -8.337) 12.754 7.583 ( 11.036 12.226 0.182) 16.471 8.699 ( -4.503 -3.084 5.192) 7.533 9.123 ( -4.930 4.348 4.637) 8.044 9.359 ( -3.740 -8.794 6.249) 11.418 9.607 ( -1.444 -4.169 2.988) 5.329 10.475 ( -4.185 -10.256 -11.047) 15.644 10.678 ( 1.418 2.570 -0.384) 2.960 11.049 ( 3.600 -0.647 -1.616) 3.999 ======================= Grid point 960 (181/261) ======================= q-point: ( 0.24 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 25.795 18.675 -6.422) 32.487 4.752 ( 12.602 36.924 4.918) 39.323 6.032 ( 23.867 19.194 -7.750) 31.593 6.853 ( 1.336 12.927 -7.520) 15.015 7.848 ( 7.434 4.907 0.544) 8.924 8.648 ( 2.426 -0.416 7.472) 7.867 9.034 ( -8.809 1.538 6.603) 11.116 9.101 ( -11.625 -10.268 4.267) 16.086 9.609 ( 5.575 -6.187 6.771) 10.733 10.339 ( -0.371 -8.405 -13.328) 15.762 10.751 ( 0.911 6.489 -1.302) 6.681 11.096 ( 3.400 -2.729 -1.318) 4.555 ======================= Grid point 961 (182/261) ======================= q-point: ( 0.29 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.969 ( 28.083 17.059 -7.357) 33.671 5.286 ( 6.461 35.321 3.344) 36.062 6.487 ( 11.163 7.626 -5.924) 14.760 7.054 ( 3.931 18.354 -9.541) 21.056 7.915 ( 0.461 -2.876 2.804) 4.042 8.755 ( 1.079 -3.338 0.064) 3.509 8.824 ( -3.130 -2.880 10.222) 11.072 8.880 ( -7.777 -0.001 8.867) 11.795 9.638 ( 5.617 -8.030 7.447) 12.308 10.305 ( 5.308 -6.632 -11.562) 14.347 10.816 ( -1.025 5.533 -1.478) 5.818 11.106 ( 1.861 -4.493 -0.387) 4.879 ======================= Grid point 962 (183/261) ======================= q-point: ( 0.35 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.571 ( 22.000 12.062 -6.361) 25.883 5.675 ( -0.861 31.413 2.399) 31.517 6.621 ( 0.841 2.971 -1.933) 3.643 7.267 ( -3.587 17.396 -15.213) 23.387 7.874 ( 3.159 -8.748 7.405) 11.889 8.624 ( -2.886 -2.030 0.761) 3.609 8.695 ( -8.146 2.276 10.375) 13.385 8.999 ( 9.252 -1.733 5.967) 11.145 9.658 ( 7.243 -8.858 6.614) 13.216 10.379 ( 8.693 -4.090 -7.201) 12.007 10.804 ( -4.309 0.435 -0.221) 4.337 11.079 ( 0.973 -4.918 -0.094) 5.014 ======================= Grid point 963 (184/261) ======================= q-point: ( 0.41 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.901 ( 5.139 2.843 -3.916) 7.059 5.875 ( -9.559 26.013 2.116) 27.794 6.651 ( 0.471 3.327 0.148) 3.363 7.261 ( -12.375 12.254 -14.495) 22.658 7.888 ( 7.562 -6.186 4.667) 10.827 8.562 ( -2.300 0.533 8.833) 9.143 8.700 ( 2.700 2.470 4.252) 5.609 9.082 ( 3.821 -2.878 2.278) 5.298 9.720 ( 10.050 -9.820 4.600) 14.785 10.500 ( 7.534 -1.223 -2.518) 8.038 10.669 ( -7.712 -5.730 2.014) 9.817 11.055 ( 1.564 -4.153 -0.880) 4.525 ======================= Grid point 964 (185/261) ======================= q-point: (-0.53 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.785 ( -14.784 -6.906 -1.600) 16.396 5.863 ( -18.798 20.488 2.491) 27.917 6.726 ( 2.249 5.938 -0.359) 6.360 7.143 ( -12.206 8.249 -11.033) 18.406 8.014 ( 10.774 -1.750 0.325) 10.920 8.580 ( 1.740 2.230 8.301) 8.770 8.728 ( 0.202 -2.719 3.355) 4.323 9.120 ( 4.019 -1.989 1.208) 4.645 9.777 ( 7.036 -9.923 3.164) 12.569 10.440 ( -6.942 -11.065 3.313) 13.476 10.614 ( 4.073 2.324 -0.745) 4.748 11.046 ( 1.433 -3.113 -0.756) 3.509 ======================= Grid point 965 (186/261) ======================= q-point: (-0.47 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( -25.483 -10.790 -1.575) 27.718 5.637 ( -27.334 15.509 3.101) 31.580 6.805 ( -1.653 5.307 -1.862) 5.862 7.003 ( -11.578 5.169 -9.666) 15.944 8.160 ( 6.048 -4.348 -2.200) 7.767 8.592 ( 0.471 -2.356 1.253) 2.710 8.752 ( 4.132 3.210 9.965) 11.256 9.184 ( 6.267 -2.821 0.675) 6.906 9.752 ( 0.669 -8.368 6.516) 10.626 10.236 ( -1.778 -12.328 -2.660) 12.737 10.693 ( 1.013 3.919 -0.196) 4.052 11.036 ( 0.077 -1.584 0.445) 1.648 ======================= Grid point 966 (187/261) ======================= q-point: (-0.41 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( -28.723 -9.784 -3.015) 30.493 5.240 ( -33.253 11.554 3.971) 35.426 6.645 ( -16.709 -7.690 -7.203) 19.754 6.896 ( -9.203 9.126 -6.890) 14.678 8.082 ( -5.480 -7.858 -2.224) 9.835 8.641 ( 4.948 -0.184 2.630) 5.606 8.887 ( 7.202 2.880 10.464) 13.025 9.294 ( 9.069 -1.790 1.151) 9.315 9.647 ( -2.242 -8.520 8.471) 12.222 10.153 ( 4.011 -7.620 -9.829) 13.068 10.718 ( -3.443 4.952 -1.059) 6.124 11.021 ( -0.343 -0.556 1.235) 1.397 ======================= Grid point 967 (188/261) ======================= q-point: (-0.35 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -27.279 -6.147 -3.753) 28.213 4.722 ( -36.980 7.772 5.320) 38.160 6.118 ( -30.145 -13.501 -9.052) 34.248 6.806 ( -10.468 6.870 -6.943) 14.317 7.874 ( -10.218 -5.987 0.225) 11.845 8.710 ( 4.478 -2.468 3.111) 5.985 9.052 ( 7.781 3.046 8.321) 11.793 9.424 ( 5.233 -3.523 7.355) 9.690 9.544 ( 2.577 -6.820 1.482) 7.439 10.222 ( 8.232 -0.106 -11.892) 14.463 10.679 ( -6.196 5.043 -0.841) 8.033 11.016 ( -0.027 -0.047 0.194) 0.201 ======================= Grid point 968 (189/261) ======================= q-point: (-0.29 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -21.683 -1.795 -1.431) 21.804 4.114 ( -38.900 3.224 7.081) 39.670 5.374 ( -39.658 -10.575 -7.600) 41.741 6.678 ( -10.146 3.975 -7.813) 13.408 7.599 ( -15.037 -4.673 -0.008) 15.747 8.759 ( 4.735 -3.190 3.587) 6.742 9.177 ( 1.769 1.558 4.555) 5.129 9.385 ( 1.120 -5.343 7.623) 9.376 9.628 ( 7.678 -1.867 0.392) 7.911 10.422 ( 12.071 3.457 -9.601) 15.806 10.633 ( -3.470 4.146 0.121) 5.408 11.013 ( -0.609 0.347 -1.257) 1.439 ======================= Grid point 976 (190/261) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 17.157 22.318 -4.773) 28.552 4.837 ( 21.102 34.199 5.623) 40.577 5.931 ( 13.332 28.518 -8.953) 32.729 6.902 ( 7.272 9.809 -5.688) 13.470 7.801 ( 4.706 9.121 0.248) 10.266 8.653 ( -3.581 -1.594 5.078) 6.415 9.102 ( -4.050 -9.014 7.801) 12.590 9.268 ( -10.013 3.176 6.543) 12.376 9.498 ( -1.107 -6.301 1.540) 6.580 10.264 ( -1.966 -10.236 -13.855) 17.337 10.757 ( 4.881 4.282 0.272) 6.498 11.029 ( 1.492 -1.154 -0.804) 2.050 ======================= Grid point 977 (191/261) ======================= q-point: ( 0.24 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 22.832 21.478 -5.616) 31.846 5.502 ( 13.460 36.420 4.374) 39.074 6.386 ( 11.872 16.235 -7.886) 21.603 7.134 ( 6.348 13.542 -4.286) 15.558 7.898 ( -0.239 0.055 -0.396) 0.466 8.641 ( 4.115 -0.925 5.199) 6.694 8.884 ( -8.396 -8.154 7.891) 14.116 9.105 ( -12.439 3.005 8.314) 15.260 9.467 ( 4.115 -6.921 2.064) 8.312 10.161 ( 1.826 -8.911 -14.378) 17.013 10.859 ( 1.772 3.246 0.906) 3.808 11.034 ( 1.291 -3.005 -0.300) 3.285 ======================= Grid point 978 (192/261) ======================= q-point: ( 0.29 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.322 ( 22.855 17.994 -4.672) 29.461 6.017 ( 3.065 36.392 3.135) 36.655 6.642 ( 3.457 8.028 -2.571) 9.111 7.404 ( 7.847 14.104 -7.050) 17.613 7.796 ( -5.739 -7.803 0.606) 9.705 8.668 ( -3.865 -2.824 -0.812) 4.855 8.781 ( 7.434 -5.924 9.965) 13.771 8.924 ( -11.098 6.048 11.020) 16.769 9.470 ( 4.333 -7.673 1.177) 8.891 10.168 ( 8.309 -6.714 -11.125) 15.423 10.864 ( -2.584 -1.568 2.123) 3.693 11.015 ( 0.682 -3.934 -0.117) 3.994 ======================= Grid point 979 (193/261) ======================= q-point: ( 0.35 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.807 ( 13.358 11.582 -2.365) 17.837 6.331 ( -7.416 32.732 1.475) 33.594 6.709 ( -1.662 5.572 3.066) 6.573 7.579 ( -10.968 4.058 -9.906) 15.326 7.669 ( 10.009 -1.525 0.395) 10.132 8.591 ( -2.111 -1.525 1.563) 3.037 8.748 ( -2.546 -2.098 11.010) 11.493 8.952 ( 5.012 0.592 5.499) 7.464 9.478 ( 6.155 -7.384 -1.238) 9.692 10.301 ( 11.920 -3.616 -5.460) 13.600 10.734 ( -6.916 -7.375 3.602) 10.733 10.986 ( 0.982 -4.160 -0.445) 4.297 ======================= Grid point 980 (194/261) ======================= q-point: ( 0.41 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.946 ( -6.321 2.077 0.348) 6.663 6.416 ( -16.219 26.035 0.532) 30.678 6.764 ( 0.746 8.283 4.896) 9.651 7.409 ( -9.275 -0.115 -5.411) 10.739 7.834 ( 7.061 3.182 -5.552) 9.530 8.568 ( 0.794 -2.057 3.220) 3.903 8.706 ( -0.011 -1.783 9.797) 9.958 9.018 ( 4.100 -3.181 2.633) 5.819 9.547 ( 8.379 -4.988 -3.694) 10.427 10.427 ( -0.883 -9.316 2.349) 9.648 10.541 ( 1.820 -3.511 0.970) 4.072 10.974 ( 2.300 -3.656 -0.379) 4.336 ======================= Grid point 982 (195/261) ======================= q-point: (-0.53 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.666 ( -22.115 -4.214 0.622) 22.521 6.292 ( -25.184 20.776 2.148) 32.718 6.881 ( 0.782 8.909 2.846) 9.385 7.243 ( -10.104 1.024 -6.466) 12.040 7.990 ( 8.086 -0.580 -5.294) 9.682 8.530 ( 1.637 -7.438 1.712) 7.806 8.742 ( 1.658 4.618 12.924) 13.824 9.049 ( 4.997 -4.942 0.117) 7.029 9.634 ( 4.832 -2.956 -3.640) 6.733 10.166 ( -6.339 -15.515 1.157) 16.800 10.665 ( 6.091 2.623 1.612) 6.825 10.991 ( 2.753 -2.196 0.168) 3.526 ======================= Grid point 983 (196/261) ======================= q-point: (-0.47 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( -28.498 -4.274 -1.517) 28.856 5.964 ( -32.823 15.460 3.516) 36.451 6.834 ( -11.832 -3.666 -4.221) 13.086 7.141 ( -6.769 8.847 -3.563) 11.695 8.034 ( 1.500 -7.520 -4.878) 9.088 8.550 ( 5.219 -1.057 3.983) 6.650 8.815 ( 3.373 1.483 12.448) 12.982 9.123 ( 7.775 -1.724 1.407) 8.087 9.603 ( -2.685 -7.769 2.014) 8.462 10.007 ( 3.309 -7.854 -9.185) 12.530 10.774 ( 2.319 4.002 1.764) 4.951 11.011 ( 1.031 -1.002 0.771) 1.631 ======================= Grid point 984 (197/261) ======================= q-point: (-0.41 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -29.761 -0.767 -3.979) 30.036 5.470 ( -37.730 8.925 4.571) 39.040 6.462 ( -21.938 -8.696 -8.706) 25.154 7.074 ( -11.435 7.063 -3.589) 13.911 7.947 ( -3.550 -4.912 -1.503) 6.244 8.620 ( 3.207 -1.081 4.209) 5.401 8.922 ( 8.547 -0.029 10.912) 13.861 9.267 ( 8.513 -1.654 7.282) 11.324 9.459 ( -1.408 -8.318 -0.400) 8.446 10.083 ( 7.768 0.872 -13.857) 15.910 10.813 ( -2.983 4.102 0.932) 5.157 11.013 ( 0.377 -0.104 0.472) 0.613 ======================= Grid point 995 (198/261) ======================= q-point: ( 0.24 0.24 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.166 ( 18.246 23.310 -2.728) 29.727 6.176 ( 19.883 29.290 4.881) 35.736 6.703 ( 1.527 15.650 -6.153) 16.885 7.316 ( 9.802 2.181 0.083) 10.042 7.887 ( -7.021 0.847 -5.019) 8.672 8.583 ( 2.361 -5.752 5.156) 8.077 8.776 ( -6.098 -2.345 7.452) 9.910 9.120 ( -5.044 -3.480 10.344) 12.023 9.422 ( -3.957 5.348 -2.049) 6.961 9.993 ( 2.172 -7.447 -13.535) 15.600 10.847 ( 0.829 -4.294 3.315) 5.487 10.995 ( -1.142 -1.212 -0.028) 1.665 ======================= Grid point 996 (199/261) ======================= q-point: ( 0.29 0.24 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.693 ( 16.400 18.540 -0.361) 24.755 6.712 ( 6.684 29.267 6.032) 30.621 6.818 ( -4.538 11.671 -1.991) 12.679 7.404 ( 5.783 -13.182 6.141) 15.650 7.828 ( -3.451 11.307 -13.530) 17.967 8.560 ( 5.503 -12.474 6.508) 15.108 8.661 ( -5.735 -1.101 1.760) 6.099 9.025 ( -3.418 -1.172 9.986) 10.620 9.426 ( -2.880 7.600 -2.652) 8.550 10.039 ( 11.200 -6.016 -9.212) 15.700 10.751 ( -4.378 -8.880 5.135) 11.153 10.950 ( -1.113 -3.032 -0.457) 3.262 ======================= Grid point 997 (200/261) ======================= q-point: ( 0.35 0.24 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.038 ( 3.621 10.973 2.576) 11.839 6.800 ( -5.622 7.111 1.230) 9.149 6.987 ( -7.746 26.056 5.032) 27.645 7.349 ( 4.863 -11.050 6.756) 13.834 7.930 ( -3.272 13.525 -15.275) 20.663 8.531 ( 0.019 -12.059 1.052) 12.105 8.575 ( 5.655 -3.403 5.581) 8.644 8.958 ( -0.330 -6.280 6.056) 8.730 9.489 ( -0.714 11.057 -4.373) 11.912 10.233 ( 14.132 -3.246 -2.996) 14.806 10.521 ( -7.828 -13.260 5.530) 16.361 10.911 ( 0.610 -3.154 -0.142) 3.216 ======================= Grid point 998 (201/261) ======================= q-point: (-0.59 0.24 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.995 ( -15.513 2.692 3.525) 16.135 6.813 ( -7.567 12.529 -0.989) 14.670 7.015 ( -6.618 12.817 8.794) 16.894 7.316 ( -3.551 -3.880 2.495) 5.821 7.969 ( -2.400 7.225 -12.179) 14.363 8.400 ( 1.144 -11.585 0.732) 11.664 8.724 ( 7.604 3.442 9.472) 12.625 8.899 ( 3.935 -9.198 -0.067) 10.005 9.604 ( 0.533 10.356 -5.927) 11.944 10.142 ( -9.548 -16.988 2.302) 19.623 10.520 ( 12.403 -0.006 2.938) 12.746 10.915 ( 2.814 -2.101 0.121) 3.514 ======================= Grid point 999 (202/261) ======================= q-point: (-0.53 0.24 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.631 ( -25.856 0.820 1.000) 25.888 6.640 ( -25.703 12.123 3.261) 28.605 7.005 ( -12.220 -1.357 0.997) 12.336 7.236 ( 4.367 2.798 1.518) 5.404 7.956 ( -2.218 -3.971 -10.731) 11.655 8.425 ( 8.330 0.199 5.576) 10.026 8.777 ( 0.921 -4.062 8.331) 9.314 8.989 ( 8.197 1.730 1.585) 8.527 9.618 ( -7.099 -4.420 0.067) 8.363 9.900 ( 0.862 -4.746 -8.190) 9.505 10.717 ( 8.154 2.386 4.088) 9.428 10.958 ( 3.456 -1.122 0.180) 3.639 ======================= Grid point 1013 (203/261) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.042 ( 10.394 14.902 4.119) 18.630 6.943 ( -1.272 6.146 3.758) 7.315 7.100 ( 0.304 -12.998 4.273) 13.685 7.329 ( 8.446 23.498 4.519) 25.376 8.050 ( 3.191 6.713 -12.789) 14.792 8.299 ( 1.610 -8.530 4.324) 9.698 8.666 ( -10.020 1.282 -0.099) 10.102 8.852 ( -0.689 -13.418 1.564) 13.526 9.742 ( -4.410 19.214 3.452) 20.014 9.932 ( 11.778 -3.989 -6.800) 14.173 10.522 ( -7.716 -13.581 5.167) 16.453 10.892 ( -1.510 -2.370 0.091) 2.812 ======================= Grid point 1014 (204/261) ======================= q-point: ( 0.35 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.218 ( -3.811 5.648 6.142) 9.173 6.919 ( -0.710 5.582 4.103) 6.964 7.042 ( 1.955 -8.817 4.274) 9.992 7.593 ( -9.734 21.735 4.844) 24.303 8.026 ( 2.970 -9.246 -2.218) 9.962 8.366 ( -6.035 3.513 -8.052) 10.658 8.574 ( 8.579 1.929 -1.005) 8.851 8.723 ( 2.470 -13.725 0.276) 13.949 9.827 ( -6.851 19.327 -0.790) 20.520 10.136 ( -2.021 -10.291 -0.267) 10.491 10.251 ( 9.207 -8.969 5.444) 13.959 10.866 ( 0.708 -1.185 0.317) 1.416 ======================= Grid point 1228 (205/261) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 261 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.000 0.000 6.347) 6.347 1.874 ( 0.000 -0.000 6.347) 6.347 2.943 ( 0.000 0.000 9.996) 9.996 6.138 ( 0.000 0.000 -3.561) 3.561 6.138 ( 0.000 -0.000 -3.561) 3.561 9.039 ( 0.000 0.000 1.604) 1.604 9.039 ( -0.000 -0.000 1.604) 1.604 9.114 ( 0.000 -0.000 -3.597) 3.597 9.893 ( 0.000 0.000 -0.093) 0.093 10.920 ( 0.000 0.000 0.953) 0.953 10.920 ( 0.000 -0.000 0.953) 0.953 12.169 ( 0.000 0.000 1.409) 1.409 ======================= Grid point 1229 (206/261) ======================= q-point: ( 0.06 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 15.144 8.744 7.695) 19.105 2.276 ( 29.440 16.997 5.803) 34.486 2.855 ( -6.262 -3.615 6.654) 9.827 6.169 ( 2.000 1.155 -4.894) 5.411 6.261 ( 10.735 6.198 -2.072) 12.568 9.040 ( 0.740 0.427 3.080) 3.197 9.066 ( -0.587 -0.339 1.084) 1.279 9.124 ( 3.015 1.741 -3.829) 5.176 9.887 ( -0.615 -0.355 -0.157) 0.728 10.895 ( -2.473 -1.428 -0.003) 2.856 10.917 ( 0.172 0.099 1.408) 1.422 11.947 ( -17.736 -10.240 2.256) 20.603 ======================= Grid point 1230 (207/261) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 23.881 13.788 7.285) 28.521 2.589 ( -7.175 -4.143 11.801) 14.419 3.195 ( 39.192 22.628 -4.267) 45.456 6.228 ( 2.923 1.687 -5.822) 6.729 6.606 ( 18.077 10.437 -0.392) 20.878 9.006 ( -3.726 -2.151 0.060) 4.303 9.069 ( 1.546 0.893 4.264) 4.623 9.255 ( 7.442 4.297 -1.880) 8.796 9.857 ( -2.185 -1.262 -0.258) 2.537 10.810 ( -4.635 -2.676 -1.069) 5.458 10.929 ( 0.788 0.455 0.936) 1.305 11.437 ( -23.849 -13.769 2.304) 27.635 ======================= Grid point 1231 (208/261) ======================= q-point: ( 0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.007 0.004 4.540) 4.540 3.112 ( 26.403 15.244 5.897) 31.053 4.154 ( 41.447 23.929 -2.448) 47.921 6.301 ( 3.282 1.895 -6.056) 7.144 7.066 ( 20.654 11.924 0.985) 23.869 8.908 ( -4.413 -2.548 1.643) 5.354 9.101 ( 0.986 0.569 5.029) 5.156 9.457 ( 9.564 5.522 -0.772) 11.070 9.776 ( -4.885 -2.820 0.421) 5.656 10.690 ( -5.366 -3.098 -2.098) 6.542 10.835 ( -16.704 -9.644 0.682) 19.301 11.029 ( -2.340 -1.351 -1.452) 3.068 ======================= Grid point 1232 (209/261) ======================= q-point: ( 0.24 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 15.016 8.669 -1.775) 17.430 3.723 ( 25.671 14.821 4.289) 29.951 5.086 ( 38.003 21.941 -1.791) 43.918 6.376 ( 3.102 1.791 -5.712) 6.742 7.528 ( 18.135 10.470 1.039) 20.966 8.822 ( -2.343 -1.353 3.948) 4.786 9.101 ( -1.314 -0.759 5.440) 5.648 9.548 ( -8.026 -4.634 3.681) 9.972 9.761 ( 9.495 5.482 1.086) 11.018 10.445 ( -13.526 -7.809 -4.527) 16.261 10.575 ( -4.264 -2.462 -2.952) 5.741 11.067 ( 2.739 1.581 -2.924) 4.307 ======================= Grid point 1233 (210/261) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 26.396 15.240 -6.526) 31.170 4.294 ( 23.176 13.381 2.882) 26.917 5.895 ( 30.718 17.735 -1.564) 35.504 6.443 ( 2.563 1.480 -5.083) 5.882 7.864 ( 10.215 5.898 0.801) 11.823 8.827 ( 2.528 1.460 3.101) 4.259 9.033 ( -4.449 -2.568 5.635) 7.625 9.283 ( -12.112 -6.993 8.598) 16.417 10.004 ( 7.954 4.592 8.571) 12.563 10.249 ( -1.802 -1.040 -12.689) 12.859 10.501 ( -2.077 -1.199 -3.553) 4.287 11.126 ( 2.063 1.191 -3.866) 4.541 ======================= Grid point 1234 (211/261) ======================= q-point: ( 0.35 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( 29.300 16.916 -8.895) 34.982 4.790 ( 19.199 11.084 1.850) 22.246 6.470 ( 17.694 10.216 -2.242) 20.554 6.494 ( 1.852 1.069 -4.413) 4.904 8.041 ( 6.568 3.792 3.540) 8.370 8.799 ( -7.828 -4.519 -2.503) 9.379 8.904 ( -6.317 -3.647 5.635) 9.218 9.139 ( 1.872 1.081 11.847) 12.043 10.054 ( 0.211 0.122 7.446) 7.450 10.397 ( 10.155 5.863 -8.226) 14.323 10.474 ( -0.440 -0.254 -3.838) 3.871 11.155 ( 0.332 0.192 -3.773) 3.793 ======================= Grid point 1235 (212/261) ======================= q-point: ( 0.41 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.440 ( 23.219 13.405 -8.629) 28.165 5.172 ( 13.226 7.636 1.244) 15.323 6.528 ( 1.049 0.606 -3.851) 4.037 6.709 ( 3.908 2.256 -2.686) 5.251 8.172 ( 2.355 1.360 5.711) 6.325 8.642 ( -1.124 -0.649 0.102) 1.302 8.761 ( -5.410 -3.124 5.219) 8.141 9.203 ( 1.236 0.714 4.766) 4.975 10.100 ( 3.504 2.023 6.680) 7.809 10.470 ( -0.023 -0.013 -3.670) 3.670 10.609 ( 7.268 4.196 -3.384) 9.050 11.143 ( -1.198 -0.692 -2.755) 3.083 ======================= Grid point 1236 (213/261) ======================= q-point: ( 0.47 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.816 ( 7.569 4.370 -5.065) 10.101 5.386 ( 4.731 2.731 1.125) 5.577 6.544 ( 0.340 0.196 -3.539) 3.561 6.731 ( -0.332 -0.192 -2.342) 2.374 8.141 ( -1.873 -1.082 2.981) 3.683 8.674 ( -1.692 -0.977 4.123) 4.563 8.752 ( 6.275 3.623 1.731) 7.449 9.186 ( -1.648 -0.952 1.320) 2.316 10.182 ( 2.716 1.568 4.986) 5.890 10.467 ( -0.339 -0.196 -2.931) 2.957 10.716 ( 1.732 1.000 0.590) 2.086 11.112 ( -1.195 -0.690 -1.554) 2.079 ======================= Grid point 1237 (214/261) ======================= q-point: (-0.47 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.757 ( -12.174 -7.029 0.533) 14.068 5.382 ( -5.044 -2.912 1.475) 6.008 6.545 ( -0.243 -0.140 -3.612) 3.623 6.735 ( 0.565 0.326 -2.554) 2.636 8.171 ( 4.477 2.585 -0.048) 5.170 8.691 ( 3.106 1.793 2.501) 4.373 8.773 ( -5.149 -2.973 -0.286) 5.953 9.197 ( 2.928 1.691 0.177) 3.386 10.201 ( -1.264 -0.729 3.344) 3.648 10.454 ( -0.741 -0.428 -1.726) 1.926 10.692 ( -3.520 -2.032 3.020) 5.064 11.093 ( -0.484 -0.279 0.067) 0.563 ======================= Grid point 1238 (215/261) ======================= q-point: (-0.41 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( -24.767 -14.299 3.913) 28.865 5.164 ( -13.278 -7.666 1.988) 15.461 6.530 ( -1.129 -0.652 -3.901) 4.113 6.715 ( -3.687 -2.129 -2.974) 5.193 8.262 ( -0.653 -0.377 -3.123) 3.213 8.639 ( -1.533 -0.885 0.196) 1.781 8.806 ( 6.393 3.691 0.894) 7.436 9.272 ( 2.792 1.612 -2.072) 3.833 10.134 ( -3.905 -2.255 4.056) 6.065 10.435 ( -0.764 -0.441 -0.390) 0.965 10.559 ( -7.817 -4.513 1.291) 9.119 11.085 ( -0.271 -0.156 2.494) 2.513 ======================= Grid point 1239 (216/261) ======================= q-point: (-0.35 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( -28.415 -16.405 4.136) 33.070 4.784 ( -18.962 -10.948 2.392) 22.026 6.491 ( -16.798 -9.699 -4.103) 19.826 6.491 ( -2.196 -1.268 -3.995) 4.732 8.108 ( -9.184 -5.303 -3.042) 11.033 8.742 ( 6.294 3.634 3.024) 7.872 8.966 ( 6.860 3.960 -0.364) 7.929 9.337 ( 3.807 2.198 -7.310) 8.530 10.046 ( -3.409 -1.968 8.974) 9.800 10.346 ( -9.614 -5.551 -3.787) 11.730 10.425 ( 0.031 0.018 0.761) 0.762 11.075 ( -0.681 -0.393 3.657) 3.741 ======================= Grid point 1240 (217/261) ======================= q-point: (-0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -24.257 -14.005 2.949) 28.164 4.296 ( -22.683 -13.096 2.643) 26.325 5.928 ( -30.794 -17.779 -4.762) 35.876 6.429 ( -3.131 -1.808 -3.663) 5.147 7.880 ( -11.300 -6.524 -0.670) 13.066 8.834 ( 1.870 1.080 1.396) 2.572 9.105 ( 4.705 2.716 -1.257) 5.576 9.482 ( 8.122 4.689 -9.048) 13.032 9.920 ( -9.276 -5.355 13.430) 17.178 10.222 ( 2.012 1.161 -7.127) 7.496 10.446 ( 1.982 1.144 1.614) 2.800 11.051 ( -1.355 -0.783 3.080) 3.455 ======================= Grid point 1241 (218/261) ======================= q-point: (-0.24 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -12.858 -7.424 2.766) 15.103 3.739 ( -24.974 -14.419 2.741) 28.968 5.104 ( -39.067 -22.555 -3.647) 45.258 6.348 ( -3.703 -2.138 -2.981) 5.212 7.548 ( -17.187 -9.923 -0.894) 19.866 8.873 ( 2.077 1.199 -1.028) 2.609 9.175 ( 1.284 0.741 -1.754) 2.297 9.635 ( -3.928 -2.268 -1.936) 4.931 9.689 ( -0.973 -0.562 4.683) 4.816 10.432 ( 14.880 8.591 -2.212) 17.324 10.521 ( 4.449 2.568 2.149) 5.568 11.016 ( -1.612 -0.931 1.686) 2.512 ======================= Grid point 1242 (219/261) ======================= q-point: (-0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 1.098 0.634 5.422) 5.568 3.145 ( -25.715 -14.847 2.752) 29.821 4.144 ( -42.707 -24.657 -1.630) 49.341 6.262 ( -3.595 -2.076 -2.268) 4.730 7.104 ( -20.193 -11.658 -2.742) 23.477 8.934 ( 3.016 1.741 -0.527) 3.522 9.171 ( -1.402 -0.810 -1.712) 2.357 9.406 ( -9.516 -5.494 3.635) 11.573 9.791 ( 3.887 2.244 -1.092) 4.619 10.644 ( 5.806 3.352 2.329) 7.097 10.870 ( 21.172 12.224 -1.351) 24.485 10.984 ( -0.239 -0.138 1.785) 1.806 ======================= Grid point 1243 (220/261) ======================= q-point: (-0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -23.701 -13.684 3.022) 27.534 2.596 ( 7.407 4.276 11.749) 14.533 3.160 ( -39.970 -23.077 -1.486) 46.177 6.188 ( -2.639 -1.524 -1.969) 3.628 6.646 ( -18.391 -10.618 -4.221) 21.651 9.005 ( 2.787 1.609 0.980) 3.364 9.123 ( -2.401 -1.386 -1.063) 2.970 9.217 ( -6.533 -3.772 0.932) 7.601 9.858 ( 1.966 1.135 -0.312) 2.292 10.776 ( 5.263 3.039 2.165) 6.452 10.950 ( -0.894 -0.516 -0.902) 1.371 11.433 ( 24.414 14.095 2.562) 28.307 ======================= Grid point 1244 (221/261) ======================= q-point: (-0.06 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -16.140 -9.319 4.203) 19.105 2.247 ( -29.296 -16.914 8.540) 34.889 2.853 ( 6.654 3.842 6.935) 10.350 6.144 ( -1.076 -0.621 -2.420) 2.721 6.287 ( -11.634 -6.717 -4.518) 14.173 9.045 ( 0.049 0.028 3.709) 3.709 9.070 ( -1.956 -1.129 0.118) 2.261 9.116 ( -1.534 -0.886 -3.721) 4.121 9.887 ( 0.638 0.368 -0.123) 0.747 10.877 ( 3.208 1.852 1.694) 4.073 10.932 ( -0.657 -0.379 -0.075) 0.762 11.947 ( 17.741 10.243 2.238) 20.607 ======================= Grid point 1246 (222/261) ======================= q-point: ( 0.06 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 12.017 24.887 5.528) 28.183 2.626 ( -1.495 -2.101 15.542) 15.754 2.936 ( 19.503 30.367 -5.319) 36.480 6.197 ( 3.303 2.356 -3.565) 5.401 6.511 ( 7.934 17.065 -2.895) 19.041 9.020 ( -1.465 -2.836 1.453) 3.507 9.088 ( -0.573 2.916 1.196) 3.203 9.195 ( 4.550 5.162 -1.435) 7.029 9.869 ( -0.903 -1.566 -0.237) 1.823 10.824 ( -1.310 -4.844 0.932) 5.104 10.934 ( -0.448 1.018 -0.095) 1.116 11.584 ( -13.621 -23.715 2.607) 27.473 ======================= Grid point 1247 (223/261) ======================= q-point: ( 0.12 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -3.299 -4.360 7.108) 8.968 2.955 ( 18.002 27.918 5.554) 33.680 3.771 ( 32.873 33.015 -2.575) 46.661 6.290 ( 2.993 4.735 -4.981) 7.496 6.886 ( 14.828 16.450 -0.417) 22.151 8.942 ( -3.256 -3.758 1.035) 5.079 9.116 ( -0.135 3.340 3.307) 4.702 9.357 ( 7.495 5.435 -0.631) 9.280 9.815 ( -2.933 -2.946 -0.106) 4.158 10.736 ( -3.324 -4.174 -0.569) 5.366 10.930 ( -2.805 -2.166 -0.256) 3.553 11.091 ( -13.504 -17.563 0.950) 22.175 ======================= Grid point 1248 (224/261) ======================= q-point: ( 0.18 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 7.792 4.895 1.127) 9.270 3.567 ( 18.559 28.821 4.435) 34.565 4.680 ( 35.369 27.392 -2.182) 44.789 6.391 ( 1.544 7.125 -5.314) 9.021 7.328 ( 17.457 13.430 0.857) 22.042 8.845 ( -3.167 -3.506 2.673) 5.428 9.137 ( -1.468 2.687 4.354) 5.323 9.541 ( 6.621 1.436 1.377) 6.914 9.711 ( -3.222 -2.985 0.952) 4.494 10.575 ( -13.795 -14.487 -2.521) 20.162 10.642 ( -4.546 -1.355 -2.088) 5.183 11.022 ( 2.998 -0.012 -1.694) 3.444 ======================= Grid point 1249 (225/261) ======================= q-point: ( 0.24 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 21.052 13.276 -4.107) 25.225 4.164 ( 16.571 28.272 2.982) 32.905 5.529 ( 32.787 21.463 -1.619) 39.220 6.484 ( -0.180 9.066 -4.995) 10.352 7.723 ( 13.790 8.432 0.624) 16.175 8.789 ( 0.785 -1.973 3.999) 4.528 9.106 ( -4.504 1.158 4.898) 6.754 9.415 ( -10.992 -7.850 6.486) 14.983 9.826 ( 11.883 -0.307 3.368) 12.355 10.268 ( -6.445 -9.760 -8.683) 14.566 10.585 ( -3.688 4.089 -2.739) 6.150 11.081 ( 3.423 -0.163 -2.919) 4.501 ======================= Grid point 1250 (226/261) ======================= q-point: ( 0.29 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 28.471 16.719 -7.409) 33.838 4.703 ( 13.161 26.557 1.767) 29.692 6.212 ( 23.496 13.228 -0.985) 26.981 6.573 ( -1.098 11.778 -5.123) 12.891 7.955 ( 7.071 3.047 1.738) 7.893 8.818 ( 1.644 -2.747 -0.588) 3.254 9.001 ( -7.575 -0.977 5.051) 9.157 9.157 ( -6.773 -4.879 12.131) 14.726 9.970 ( 6.221 -6.607 9.130) 12.872 10.189 ( 7.314 -5.143 -12.814) 15.625 10.596 ( -2.882 8.995 -3.515) 10.078 11.126 ( 2.260 -1.099 -3.295) 4.144 ======================= Grid point 1251 (227/261) ======================= q-point: ( 0.35 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.135 ( 27.515 15.313 -8.424) 32.596 5.146 ( 8.227 23.551 1.037) 24.968 6.529 ( 3.995 4.555 0.398) 6.072 6.723 ( 2.118 12.869 -6.841) 14.728 8.088 ( 6.743 -0.055 5.060) 8.431 8.690 ( -6.554 -4.941 -1.032) 8.273 8.850 ( -7.566 -1.543 5.480) 9.468 9.153 ( 4.291 -0.429 7.776) 8.892 9.983 ( 5.830 -7.226 6.479) 11.322 10.327 ( 11.047 -4.334 -5.857) 13.233 10.651 ( -1.612 8.889 -3.705) 9.764 11.134 ( 0.510 -2.216 -2.694) 3.525 ======================= Grid point 1252 (228/261) ======================= q-point: ( 0.41 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.666 ( 16.969 9.267 -6.679) 20.455 5.447 ( 1.129 18.944 0.883) 18.998 6.588 ( -1.251 5.228 0.527) 5.402 6.801 ( -3.972 6.937 -6.581) 10.354 8.123 ( 0.516 -5.696 4.680) 7.390 8.667 ( 5.330 1.993 1.335) 5.845 8.725 ( -4.878 0.009 4.648) 6.738 9.184 ( 0.548 -2.388 2.503) 3.502 10.038 ( 8.464 -8.136 5.266) 12.867 10.451 ( 5.306 -0.055 -2.569) 5.896 10.698 ( -0.082 2.338 -1.968) 3.058 11.107 ( -0.281 -2.707 -1.635) 3.175 ======================= Grid point 1253 (229/261) ======================= q-point: ( 0.47 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.843 ( -2.500 -1.388 -1.897) 3.431 5.552 ( -7.946 13.358 1.152) 15.585 6.613 ( -2.514 6.503 -0.144) 6.973 6.781 ( -3.891 4.870 -5.568) 8.358 8.096 ( 3.700 -3.118 1.387) 5.033 8.681 ( -0.204 1.671 4.202) 4.526 8.779 ( 2.025 -1.207 0.149) 2.362 9.164 ( 1.097 -1.098 0.549) 1.646 10.085 ( 6.938 -10.190 3.206) 12.738 10.499 ( -1.756 2.541 -1.752) 3.551 10.689 ( 0.301 -3.833 2.021) 4.344 11.083 ( 0.384 -2.017 -0.730) 2.179 ======================= Grid point 1255 (230/261) ======================= q-point: (-0.47 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.569 ( -19.739 -11.097 2.631) 22.796 5.439 ( -17.247 8.234 1.651) 19.183 6.625 ( -4.768 7.843 -2.549) 9.526 6.767 ( -2.901 2.257 -3.381) 4.994 8.188 ( 7.138 -1.415 -1.742) 7.482 8.678 ( -4.369 -4.312 0.433) 6.154 8.762 ( 2.981 4.249 0.908) 5.269 9.214 ( 4.128 -0.395 -0.596) 4.189 10.071 ( 3.733 -10.741 2.374) 11.616 10.429 ( -4.221 -5.373 -0.271) 6.838 10.651 ( -2.546 0.278 2.496) 3.576 11.077 ( 0.591 -1.114 1.031) 1.629 ======================= Grid point 1256 (231/261) ======================= q-point: (-0.41 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.005 ( -27.688 -15.164 3.950) 31.814 5.134 ( -24.334 4.310 2.192) 24.810 6.596 ( -7.125 5.494 -5.413) 10.500 6.664 ( -10.187 -2.162 -1.359) 10.503 8.177 ( -4.627 -6.849 -3.810) 9.101 8.660 ( 5.416 2.111 1.831) 6.095 8.900 ( 5.929 5.511 0.725) 8.127 9.276 ( 4.178 -0.939 -4.187) 5.989 10.013 ( 1.452 -8.905 4.743) 10.193 10.270 ( -2.484 -13.175 -0.947) 13.441 10.600 ( -6.645 5.763 0.965) 8.848 11.075 ( 0.079 -0.839 2.787) 2.912 ======================= Grid point 1257 (232/261) ======================= q-point: (-0.35 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( -27.752 -14.234 3.009) 31.334 4.694 ( -28.972 1.580 2.574) 29.129 6.256 ( -24.517 -13.372 -4.998) 28.370 6.550 ( -8.065 6.419 -2.961) 10.725 7.990 ( -8.381 -6.100 -1.628) 10.493 8.780 ( 4.635 -0.196 2.535) 5.286 9.056 ( 5.331 4.954 -0.016) 7.277 9.380 ( 7.707 2.394 -8.496) 11.718 9.931 ( -1.833 -9.797 12.657) 16.110 10.132 ( 2.883 -9.496 -7.381) 12.368 10.548 ( -6.400 7.289 0.912) 9.743 11.060 ( -0.700 -1.146 2.992) 3.279 ======================= Grid point 1258 (233/261) ======================= q-point: (-0.29 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -20.406 -9.479 1.969) 22.586 4.166 ( -31.885 -0.434 2.798) 32.010 5.558 ( -35.774 -18.132 -4.444) 40.352 6.464 ( -8.124 4.602 -3.021) 9.814 7.733 ( -13.913 -7.741 -0.355) 15.926 8.827 ( 3.062 -1.379 -0.183) 3.363 9.166 ( 2.138 3.313 -0.822) 4.028 9.564 ( 8.307 3.093 -7.067) 11.336 9.742 ( -6.343 -10.204 10.311) 15.833 10.232 ( 13.076 0.624 -4.302) 13.780 10.539 ( -1.976 6.052 1.550) 6.552 11.029 ( -1.254 -1.382 1.931) 2.686 ======================= Grid point 1259 (234/261) ======================= q-point: (-0.24 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -6.908 -3.076 3.093) 8.171 3.582 ( -33.270 -2.115 2.976) 33.469 4.686 ( -42.508 -17.456 -2.854) 46.041 6.363 ( -7.527 2.837 -2.682) 8.479 7.351 ( -19.464 -8.797 -1.443) 21.409 8.880 ( 3.951 -0.386 -0.613) 4.017 9.194 ( -1.227 0.847 -1.136) 1.874 9.513 ( -8.232 -5.891 4.334) 11.011 9.727 ( 5.665 1.630 -1.278) 6.032 10.574 ( 21.551 5.183 -1.777) 22.237 10.602 ( 2.935 4.448 1.804) 5.626 10.993 ( -1.221 -1.155 0.767) 1.848 ======================= Grid point 1260 (235/261) ======================= q-point: (-0.18 0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 5.840 0.741 7.150) 9.261 2.976 ( -32.444 -3.331 3.549) 32.807 3.759 ( -45.939 -11.158 -1.536) 47.300 6.266 ( -5.979 1.702 -2.695) 6.776 6.910 ( -21.262 -6.536 -2.707) 22.408 8.951 ( 4.210 0.061 0.368) 4.227 9.153 ( -2.732 -1.353 -0.093) 3.051 9.328 ( -8.417 -1.404 1.662) 8.693 9.819 ( 3.626 0.615 -0.503) 3.712 10.712 ( 5.202 2.821 1.624) 6.136 10.951 ( 1.119 -0.895 -1.888) 2.370 11.073 ( 25.010 5.143 2.488) 25.654 ======================= Grid point 1265 (236/261) ======================= q-point: ( 0.12 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 2.752 3.947 2.822) 5.579 3.577 ( 18.139 32.395 3.806) 37.322 4.487 ( 21.517 37.405 -2.592) 43.230 6.414 ( 5.252 7.251 -3.632) 9.661 7.242 ( 9.544 18.227 -0.618) 20.584 8.865 ( -3.315 -3.794 0.999) 5.136 9.188 ( -0.142 3.386 1.536) 3.720 9.460 ( 4.095 4.487 2.316) 6.501 9.738 ( -3.375 -4.660 0.049) 5.754 10.624 ( -10.525 -18.086 -1.323) 20.967 10.669 ( -1.332 -4.799 -0.814) 5.046 10.984 ( 1.101 0.539 -0.192) 1.241 ======================= Grid point 1266 (237/261) ======================= q-point: ( 0.18 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 13.387 13.463 -1.507) 19.046 4.222 ( 16.090 34.863 2.945) 38.510 5.240 ( 26.284 27.967 -2.549) 38.464 6.580 ( 2.791 11.199 -3.847) 12.166 7.589 ( 11.822 12.192 0.356) 16.986 8.774 ( -2.285 -3.456 2.350) 4.763 9.201 ( -2.884 3.510 2.915) 5.398 9.484 ( -4.545 -6.021 5.408) 9.281 9.665 ( 3.210 -2.613 1.824) 4.524 10.268 ( -8.128 -15.337 -7.681) 18.981 10.666 ( -0.232 3.579 -0.886) 3.694 11.021 ( 2.654 -0.116 -1.219) 2.923 ======================= Grid point 1267 (238/261) ======================= q-point: ( 0.24 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 22.982 18.497 -4.845) 29.896 4.821 ( 11.359 35.734 1.574) 37.529 5.937 ( 25.206 18.855 -1.475) 31.513 6.734 ( -0.233 15.154 -3.922) 15.655 7.858 ( 8.138 4.791 0.556) 9.460 8.740 ( 2.328 -2.919 1.838) 4.161 9.144 ( -7.495 2.719 3.721) 8.799 9.250 ( -10.394 -8.177 9.862) 16.498 9.746 ( 9.091 -7.161 6.305) 13.179 10.056 ( -0.367 -10.949 -13.680) 17.526 10.720 ( -0.904 8.068 -1.782) 8.312 11.064 ( 2.953 -1.401 -1.756) 3.711 ======================= Grid point 1268 (239/261) ======================= q-point: ( 0.29 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.824 ( 26.714 18.750 -6.582) 33.295 5.327 ( 5.839 34.336 0.563) 34.834 6.442 ( 14.271 10.513 1.300) 17.773 6.886 ( -1.413 17.734 -6.590) 18.971 7.973 ( 4.634 -1.916 2.980) 5.833 8.727 ( -2.372 -5.252 -1.875) 6.060 8.997 ( -9.104 1.331 5.377) 10.656 9.084 ( -0.650 -3.307 10.777) 11.291 9.778 ( 5.957 -12.122 6.381) 14.938 10.071 ( 11.286 -5.935 -10.991) 16.835 10.775 ( -2.375 7.510 -2.514) 8.268 11.087 ( 1.801 -2.753 -1.482) 3.608 ======================= Grid point 1269 (240/261) ======================= q-point: ( 0.35 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( 22.223 15.124 -6.293) 27.608 5.703 ( -0.789 30.672 0.313) 30.684 6.657 ( 1.755 7.828 5.207) 9.564 6.999 ( -5.589 14.277 -11.202) 18.988 8.004 ( 4.293 -8.418 5.650) 11.010 8.630 ( -0.710 -1.334 -0.180) 1.522 8.860 ( -8.926 3.228 5.297) 10.869 9.108 ( 4.455 -4.103 4.599) 7.605 9.767 ( 8.618 -13.918 4.159) 16.890 10.260 ( 13.739 -2.503 -4.375) 14.635 10.773 ( -4.182 2.846 -2.623) 5.698 11.071 ( 0.483 -3.834 -0.731) 3.933 ======================= Grid point 1270 (241/261) ======================= q-point: ( 0.41 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.826 ( 7.121 6.904 -3.297) 10.452 5.903 ( -8.903 25.288 0.579) 26.816 6.726 ( -1.841 8.287 7.082) 11.055 6.984 ( -9.395 10.686 -12.416) 18.884 7.973 ( 3.981 -8.595 3.340) 10.043 8.671 ( 4.053 -1.570 2.647) 5.088 8.780 ( -4.322 4.733 2.637) 6.930 9.120 ( 1.916 -3.485 1.446) 4.232 9.792 ( 10.713 -15.568 2.419) 19.052 10.468 ( 9.943 1.428 -0.577) 10.061 10.677 ( -5.832 -4.537 -1.134) 7.475 11.042 ( 0.901 -3.611 -0.425) 3.746 ======================= Grid point 1271 (242/261) ======================= q-point: (-0.53 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.780 ( -13.429 -4.210 1.140) 14.119 5.898 ( -17.848 20.110 1.002) 26.907 6.787 ( -1.858 10.195 6.519) 12.243 6.915 ( -9.173 8.033 -10.965) 16.398 8.014 ( 8.487 -5.170 -0.800) 9.970 8.680 ( -0.455 -4.690 1.940) 5.095 8.785 ( -0.396 5.580 1.880) 5.901 9.134 ( 3.175 -2.247 0.102) 3.891 9.813 ( 9.619 -15.776 0.373) 18.481 10.468 ( -8.022 -9.073 -0.062) 12.111 10.636 ( 5.411 1.939 2.376) 6.220 11.038 ( 1.966 -2.321 -0.067) 3.043 ======================= Grid point 1272 (243/261) ======================= q-point: (-0.47 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( -25.918 -10.730 3.108) 28.223 5.688 ( -26.486 15.587 1.759) 30.782 6.799 ( -9.889 0.487 -6.269) 11.719 6.844 ( -6.375 12.982 1.945) 14.593 8.100 ( 5.328 -7.077 -3.922) 9.688 8.616 ( 0.487 -1.423 1.088) 1.856 8.885 ( 3.026 7.915 2.913) 8.960 9.173 ( 4.776 -3.586 -1.887) 6.264 9.814 ( 7.632 -13.574 -0.081) 15.572 10.212 ( -6.584 -14.767 0.456) 16.175 10.717 ( -0.335 5.041 2.439) 5.610 11.052 ( 1.426 -1.364 1.050) 2.235 ======================= Grid point 1273 (244/261) ======================= q-point: (-0.41 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.730 ( -29.643 -11.304 2.384) 31.815 5.307 ( -32.415 11.812 2.409) 34.584 6.518 ( -18.652 -8.652 -5.537) 21.294 6.818 ( -10.953 11.762 -0.290) 16.075 8.032 ( -3.143 -6.890 -2.799) 8.074 8.686 ( 5.240 -0.077 2.179) 5.676 9.026 ( 4.450 6.766 2.784) 8.563 9.256 ( 7.827 -0.256 -5.525) 9.584 9.804 ( 4.340 -11.356 6.628) 13.846 9.983 ( -0.603 -13.930 -5.553) 15.008 10.728 ( -4.922 6.416 1.787) 8.282 11.052 ( 0.144 -1.396 1.799) 2.282 ======================= Grid point 1274 (245/261) ======================= q-point: (-0.35 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( -26.774 -7.858 0.792) 27.915 4.808 ( -36.011 8.076 2.780) 37.010 5.974 ( -29.843 -13.438 -4.918) 33.097 6.713 ( -12.303 8.381 -1.985) 15.018 7.870 ( -9.042 -5.422 -0.517) 10.556 8.745 ( 3.767 -2.533 0.841) 4.617 9.164 ( 3.388 5.540 2.169) 6.847 9.431 ( 9.652 1.961 -6.720) 11.923 9.688 ( -1.079 -12.204 11.858) 17.051 9.999 ( 11.156 -3.897 -8.880) 14.781 10.686 ( -6.474 6.009 1.317) 8.930 11.032 ( -0.691 -1.431 1.351) 2.086 ======================= Grid point 1275 (246/261) ======================= q-point: (-0.29 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -17.700 -2.799 0.464) 17.926 4.221 ( -37.696 3.518 3.060) 37.983 5.253 ( -37.914 -9.930 -3.791) 39.375 6.568 ( -11.288 4.165 -2.722) 12.336 7.596 ( -16.079 -4.657 -0.285) 16.743 8.794 ( 4.441 -1.588 0.256) 4.723 9.228 ( -0.840 1.956 0.459) 2.178 9.532 ( 0.880 -5.592 3.020) 6.416 9.636 ( 4.839 0.304 2.404) 5.412 10.250 ( 18.392 1.026 -5.794) 19.310 10.646 ( -3.129 3.787 0.975) 5.008 11.004 ( -1.144 -0.650 0.305) 1.350 ======================= Grid point 1283 (247/261) ======================= q-point: ( 0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 14.611 22.309 -1.967) 26.740 4.923 ( 20.059 33.619 2.473) 39.226 5.800 ( 14.383 27.311 -3.634) 31.080 6.820 ( 7.647 11.948 -2.260) 14.364 7.803 ( 4.661 8.569 0.011) 9.754 8.708 ( -2.176 -2.859 1.032) 3.738 9.245 ( -0.353 -1.791 4.845) 5.177 9.372 ( -10.605 -2.310 1.766) 10.997 9.578 ( 0.816 -5.623 7.502) 9.411 9.979 ( -5.115 -12.605 -12.659) 18.583 10.764 ( 4.195 5.285 0.293) 6.754 11.018 ( 0.791 -0.051 -0.285) 0.842 ======================= Grid point 1284 (248/261) ======================= q-point: ( 0.24 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( 21.038 23.507 -3.696) 31.762 5.561 ( 11.654 36.703 1.178) 38.527 6.290 ( 15.896 16.418 -1.485) 22.901 7.059 ( 3.300 15.897 -2.876) 16.489 7.899 ( 1.532 -1.241 0.531) 2.042 8.677 ( 1.474 -2.790 -0.063) 3.156 9.093 ( -7.929 -7.558 10.411) 15.112 9.229 ( -9.937 6.142 2.426) 11.931 9.551 ( 5.240 -11.747 8.244) 15.278 9.851 ( 4.207 -8.811 -16.075) 18.808 10.865 ( 0.338 5.447 -0.485) 5.479 11.027 ( 1.429 -2.207 -0.308) 2.647 ======================= Grid point 1285 (249/261) ======================= q-point: ( 0.29 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.228 ( 22.069 21.393 -4.248) 31.028 6.048 ( 1.574 36.281 -0.049) 36.315 6.656 ( 9.557 10.743 3.492) 14.796 7.237 ( -2.230 16.283 -8.140) 18.340 7.849 ( 0.959 -10.577 3.959) 11.335 8.648 ( -2.559 -2.318 -1.314) 3.694 8.968 ( 2.922 -7.716 8.000) 11.493 9.103 ( -11.782 8.727 4.990) 15.488 9.497 ( 4.778 -15.099 2.740) 16.072 9.962 ( 14.948 -4.791 -8.550) 17.875 10.871 ( -3.884 1.602 -1.401) 4.429 11.018 ( 0.923 -3.942 0.395) 4.068 ======================= Grid point 1286 (250/261) ======================= q-point: ( 0.35 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.752 ( 14.032 15.932 -2.978) 21.438 6.335 ( -7.436 30.391 -0.522) 31.292 6.841 ( 0.328 10.800 9.204) 14.194 7.281 ( -9.812 13.031 -14.507) 21.830 7.781 ( 5.697 -12.222 5.885) 14.713 8.597 ( 0.625 -2.684 -0.663) 2.834 8.917 ( -2.034 -5.582 5.166) 7.873 9.070 ( -2.354 8.212 4.458) 9.636 9.444 ( 8.428 -17.288 -0.575) 19.241 10.221 ( 17.016 -1.407 -2.537) 17.261 10.758 ( -7.464 -4.501 -1.037) 8.778 10.986 ( 0.670 -4.324 0.379) 4.392 ======================= Grid point 1287 (251/261) ======================= q-point: ( 0.41 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.953 ( -5.288 5.709 0.217) 7.785 6.414 ( -13.988 23.699 -0.323) 27.521 6.933 ( -2.600 12.931 11.347) 17.399 7.195 ( -11.642 8.995 -13.429) 19.919 7.805 ( 7.746 -7.087 0.384) 10.506 8.595 ( 2.890 -6.254 0.446) 6.904 8.860 ( 0.125 0.456 3.882) 3.911 9.097 ( -2.017 2.756 4.445) 5.606 9.454 ( 11.579 -15.531 -4.404) 19.866 10.462 ( 5.161 -7.098 1.140) 8.850 10.554 ( -1.873 -2.607 0.162) 3.214 10.970 ( 2.134 -3.314 -0.048) 3.942 ======================= Grid point 1289 (252/261) ======================= q-point: (-0.53 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.697 ( -22.958 -3.537 2.323) 23.345 6.321 ( -23.043 20.762 0.906) 31.030 6.983 ( -8.400 6.866 3.005) 11.258 7.095 ( -6.981 10.411 -3.463) 13.004 7.889 ( 8.944 -7.031 -5.064) 12.453 8.569 ( 2.271 -4.851 1.944) 5.698 8.943 ( 3.538 7.625 4.513) 9.541 9.061 ( 0.144 -4.974 2.417) 5.532 9.517 ( 10.133 -10.402 -6.765) 16.020 10.189 ( -9.096 -17.173 1.119) 19.466 10.713 ( 6.354 4.430 2.845) 8.252 10.993 ( 3.249 -2.115 -0.127) 3.878 ======================= Grid point 1290 (253/261) ======================= q-point: (-0.47 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( -30.224 -5.821 1.631) 30.822 6.023 ( -32.093 16.398 2.232) 36.109 6.747 ( -16.338 -5.819 -4.819) 18.000 7.123 ( -8.184 13.402 2.522) 15.905 7.937 ( 5.262 -8.074 -4.714) 10.728 8.611 ( 3.870 0.609 2.402) 4.595 9.029 ( 2.397 -0.783 6.040) 6.546 9.118 ( 7.393 4.888 -1.051) 8.925 9.586 ( 7.448 -7.410 -4.078) 11.270 9.879 ( -4.991 -16.968 -1.532) 17.753 10.823 ( 0.868 5.082 2.864) 5.898 11.021 ( 1.797 -1.719 0.203) 2.495 ======================= Grid point 1291 (254/261) ======================= q-point: (-0.41 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( -30.810 -3.142 -0.411) 30.973 5.545 ( -37.265 9.306 2.622) 38.499 6.325 ( -23.089 -8.443 -4.675) 25.025 7.032 ( -13.977 7.573 -0.384) 15.902 7.918 ( -1.026 -3.854 -1.285) 4.190 8.664 ( 2.685 -1.168 1.155) 3.147 9.127 ( 7.389 1.348 7.435) 10.568 9.304 ( 6.510 5.347 -5.200) 9.900 9.555 ( 1.535 -12.470 12.169) 17.491 9.792 ( 7.551 -3.223 -14.481) 16.646 10.842 ( -4.419 4.325 1.622) 6.392 11.021 ( 0.400 -1.374 0.346) 1.472 ======================= Grid point 1302 (255/261) ======================= q-point: ( 0.24 0.24 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.123 ( 17.232 26.593 -1.216) 31.711 6.254 ( 19.564 30.419 2.369) 36.245 6.613 ( 5.456 16.223 -2.588) 17.310 7.318 ( 9.028 8.130 0.066) 12.150 7.811 ( -7.165 -6.165 -2.126) 9.689 8.638 ( 1.008 -1.881 1.140) 2.420 8.933 ( -8.538 -7.882 5.842) 13.005 9.294 ( 4.001 -10.411 2.378) 11.404 9.421 ( -10.789 10.168 7.098) 16.437 9.710 ( 4.417 -4.690 -13.802) 15.232 10.905 ( 1.097 -2.194 2.003) 3.167 10.987 ( -1.833 -1.365 -0.552) 2.351 ======================= Grid point 1303 (256/261) ======================= q-point: ( 0.29 0.24 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.677 ( 16.242 22.631 -1.082) 27.878 6.737 ( -3.472 28.500 -2.006) 28.781 6.882 ( 11.086 13.548 6.403) 18.640 7.519 ( 5.812 7.628 -2.012) 9.799 7.586 ( -7.448 -9.701 -2.678) 12.520 8.615 ( -3.640 -1.561 -1.776) 4.340 8.739 ( 1.504 -14.488 6.277) 15.861 9.194 ( 0.721 -14.381 2.794) 14.668 9.380 ( -11.024 17.822 1.630) 21.020 9.880 ( 18.129 -3.367 -6.127) 19.431 10.820 ( -5.497 -6.954 1.172) 8.941 10.942 ( -0.528 -3.169 0.036) 3.213 ======================= Grid point 1304 (257/261) ======================= q-point: ( 0.35 0.24 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.069 ( 4.160 14.910 0.441) 15.486 6.805 ( -8.774 13.909 -0.209) 16.447 7.133 ( -1.231 14.916 8.284) 17.107 7.429 ( -5.116 1.146 -1.809) 5.546 7.678 ( 2.237 7.967 -6.037) 10.243 8.499 ( -1.666 -8.019 -2.818) 8.662 8.703 ( 8.568 -11.861 5.851) 15.758 9.065 ( 3.277 -16.979 2.535) 17.477 9.398 ( -7.911 18.401 -2.531) 20.188 10.198 ( 18.354 -1.062 -0.856) 18.405 10.590 ( -8.699 -11.778 1.231) 14.694 10.911 ( 0.739 -2.979 0.113) 3.072 ======================= Grid point 1305 (258/261) ======================= q-point: (-0.59 0.24 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.053 ( -16.606 3.990 2.039) 17.200 6.803 ( -8.931 14.947 -0.084) 17.412 7.204 ( 1.103 5.052 7.245) 8.901 7.319 ( -17.050 9.060 -0.057) 19.307 7.745 ( 0.401 1.631 -9.140) 9.292 8.438 ( 5.024 -7.511 2.852) 9.476 8.793 ( 10.340 -6.459 -2.622) 12.470 8.989 ( 6.064 -12.088 8.141) 15.785 9.461 ( -4.616 15.221 -7.237) 17.474 10.180 ( -9.871 -17.766 1.333) 20.368 10.577 ( 13.058 1.934 2.225) 13.387 10.914 ( 2.647 -2.094 -0.159) 3.379 ======================= Grid point 1306 (259/261) ======================= q-point: (-0.53 0.24 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.653 ( -28.357 -0.529 1.233) 28.389 6.694 ( -22.931 15.107 2.294) 27.555 6.988 ( -19.599 -6.584 -3.463) 20.964 7.329 ( 0.508 11.363 8.349) 14.110 7.742 ( 4.277 -7.491 -10.237) 13.387 8.538 ( 7.093 2.891 5.303) 9.316 8.843 ( 7.694 -11.601 -2.685) 14.177 9.088 ( 8.413 3.644 8.434) 12.457 9.531 ( -3.171 10.306 -8.728) 13.873 9.811 ( -8.019 -18.786 0.218) 20.427 10.794 ( 7.746 3.274 3.186) 8.993 10.953 ( 3.536 -1.705 -0.659) 3.981 ======================= Grid point 1320 (260/261) ======================= q-point: ( 0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.102 ( 11.013 17.891 1.614) 21.071 6.999 ( 2.282 5.315 1.610) 6.004 7.149 ( -2.367 -5.365 0.849) 5.925 7.484 ( 9.989 16.808 10.268) 22.084 7.776 ( 4.447 10.869 -13.213) 17.677 8.420 ( 0.512 -14.447 6.942) 16.036 8.586 ( -11.923 -2.318 -6.367) 13.714 8.908 ( -3.986 -13.342 2.472) 14.142 9.783 ( -10.479 17.534 -0.175) 20.428 9.833 ( 20.551 2.087 -1.679) 20.725 10.603 ( -7.597 -14.053 2.346) 16.146 10.890 ( -1.300 -1.931 -0.134) 2.332 ======================= Grid point 1321 (261/261) ======================= q-point: ( 0.35 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 0.00e+00 1.65e-04 1.65e-04 Number of triplets: 1301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.307 ( -4.330 7.132 2.437) 8.692 6.984 ( -2.666 6.116 1.926) 6.944 7.107 ( 3.300 -7.733 1.871) 8.614 7.725 ( -8.361 17.717 8.377) 21.306 7.910 ( -5.761 8.845 -9.035) 13.895 8.286 ( -0.025 -7.441 -0.238) 7.445 8.499 ( 11.487 -10.756 -3.868) 16.205 8.764 ( 3.370 -9.139 1.888) 9.922 9.792 ( -9.299 18.151 -1.576) 20.455 10.151 ( 2.080 -5.650 0.955) 6.096 10.335 ( 5.931 -9.967 2.327) 11.830 10.869 ( 0.642 -1.052 0.047) 1.233 =================== 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 3/31212 10.0 3017.333 3017.333 2784.234 -0.000 -0.000 0.000 3/31212 20.0 2653.056 2653.056 917.964 -0.000 0.000 0.000 3/31212 30.0 1713.420 1713.420 525.064 -0.000 0.000 0.000 3/31212 40.0 1035.017 1035.017 283.281 -0.000 0.000 0.000 3/31212 50.0 570.908 570.908 135.115 -0.000 0.000 0.000 3/31212 60.0 336.699 336.699 67.342 -0.000 0.000 0.000 3/31212 70.0 222.013 222.013 37.981 -0.000 0.000 0.000 3/31212 80.0 160.904 160.904 24.212 -0.000 0.000 0.000 3/31212 90.0 124.964 124.964 17.043 -0.000 0.000 0.000 3/31212 100.0 101.948 101.948 12.936 -0.000 0.000 0.000 3/31212 110.0 86.166 86.166 10.386 -0.000 0.000 0.000 3/31212 120.0 74.747 74.747 8.693 -0.000 0.000 0.000 3/31212 130.0 66.125 66.125 7.505 -0.000 0.000 0.000 3/31212 140.0 59.390 59.390 6.632 -0.000 0.000 0.000 3/31212 150.0 53.980 53.980 5.965 -0.000 0.000 0.000 3/31212 160.0 49.537 49.537 5.439 -0.000 0.000 0.000 3/31212 170.0 45.818 45.818 5.013 -0.000 0.000 0.000 3/31212 180.0 42.655 42.655 4.659 -0.000 0.000 0.000 3/31212 190.0 39.931 39.931 4.360 -0.000 0.000 0.000 3/31212 200.0 37.556 37.556 4.104 -0.000 0.000 0.000 3/31212 210.0 35.465 35.465 3.881 -0.000 0.000 0.000 3/31212 220.0 33.609 33.609 3.684 -0.000 0.000 0.000 3/31212 230.0 31.950 31.950 3.509 -0.000 0.000 0.000 3/31212 240.0 30.455 30.455 3.352 -0.000 0.000 0.000 3/31212 250.0 29.102 29.102 3.210 -0.000 0.000 0.000 3/31212 260.0 27.870 27.870 3.081 -0.000 0.000 0.000 3/31212 270.0 26.743 26.743 2.963 -0.000 0.000 0.000 3/31212 280.0 25.708 25.708 2.855 -0.000 0.000 0.000 3/31212 290.0 24.753 24.753 2.755 -0.000 0.000 0.000 3/31212 300.0 23.870 23.870 2.662 -0.000 0.000 0.000 3/31212 310.0 23.050 23.050 2.575 -0.000 0.000 0.000 3/31212 320.0 22.287 22.287 2.495 -0.000 0.000 0.000 3/31212 330.0 21.575 21.575 2.420 -0.000 0.000 0.000 3/31212 340.0 20.908 20.908 2.349 -0.000 0.000 0.000 3/31212 350.0 20.282 20.282 2.283 -0.000 0.000 0.000 3/31212 360.0 19.694 19.694 2.220 -0.000 0.000 0.000 3/31212 370.0 19.140 19.140 2.161 -0.000 0.000 0.000 3/31212 380.0 18.617 18.617 2.105 -0.000 0.000 0.000 3/31212 390.0 18.123 18.123 2.052 -0.000 0.000 0.000 3/31212 400.0 17.655 17.655 2.002 -0.000 0.000 0.000 3/31212 410.0 17.211 17.211 1.954 -0.000 0.000 0.000 3/31212 420.0 16.790 16.790 1.908 -0.000 0.000 0.000 3/31212 430.0 16.389 16.389 1.865 -0.000 0.000 0.000 3/31212 440.0 16.007 16.007 1.823 -0.000 0.000 0.000 3/31212 450.0 15.643 15.643 1.784 -0.000 0.000 0.000 3/31212 460.0 15.295 15.295 1.746 -0.000 0.000 0.000 3/31212 470.0 14.963 14.963 1.710 -0.000 0.000 0.000 3/31212 480.0 14.645 14.645 1.675 -0.000 0.000 0.000 3/31212 490.0 14.341 14.341 1.642 -0.000 0.000 0.000 3/31212 500.0 14.049 14.049 1.610 -0.000 0.000 0.000 3/31212 510.0 13.769 13.769 1.579 -0.000 0.000 0.000 3/31212 520.0 13.501 13.501 1.549 -0.000 0.000 0.000 3/31212 530.0 13.242 13.242 1.521 -0.000 0.000 0.000 3/31212 540.0 12.994 12.994 1.494 -0.000 0.000 0.000 3/31212 550.0 12.755 12.755 1.467 -0.000 0.000 0.000 3/31212 560.0 12.524 12.524 1.442 -0.000 0.000 0.000 3/31212 570.0 12.302 12.302 1.417 -0.000 0.000 0.000 3/31212 580.0 12.088 12.088 1.393 -0.000 0.000 0.000 3/31212 590.0 11.881 11.881 1.370 -0.000 0.000 0.000 3/31212 600.0 11.681 11.681 1.348 -0.000 0.000 0.000 3/31212 610.0 11.488 11.488 1.326 -0.000 0.000 0.000 3/31212 620.0 11.301 11.301 1.306 -0.000 0.000 0.000 3/31212 630.0 11.120 11.120 1.285 -0.000 0.000 0.000 3/31212 640.0 10.945 10.945 1.266 -0.000 0.000 0.000 3/31212 650.0 10.776 10.776 1.247 -0.000 0.000 0.000 3/31212 660.0 10.611 10.611 1.228 -0.000 0.000 0.000 3/31212 670.0 10.452 10.452 1.210 -0.000 0.000 0.000 3/31212 680.0 10.297 10.297 1.193 -0.000 0.000 0.000 3/31212 690.0 10.147 10.147 1.176 -0.000 0.000 0.000 3/31212 700.0 10.002 10.002 1.160 -0.000 0.000 0.000 3/31212 710.0 9.860 9.860 1.144 -0.000 0.000 0.000 3/31212 720.0 9.722 9.722 1.128 -0.000 0.000 0.000 3/31212 730.0 9.589 9.589 1.113 -0.000 0.000 0.000 3/31212 740.0 9.459 9.459 1.099 -0.000 0.000 0.000 3/31212 750.0 9.332 9.332 1.084 -0.000 0.000 0.000 3/31212 760.0 9.209 9.209 1.070 -0.000 0.000 0.000 3/31212 770.0 9.089 9.089 1.057 -0.000 0.000 0.000 3/31212 780.0 8.972 8.972 1.044 -0.000 0.000 0.000 3/31212 790.0 8.858 8.858 1.031 -0.000 0.000 0.000 3/31212 800.0 8.747 8.747 1.018 -0.000 0.000 0.000 3/31212 810.0 8.639 8.639 1.006 -0.000 0.000 0.000 3/31212 820.0 8.533 8.533 0.994 -0.000 0.000 0.000 3/31212 830.0 8.430 8.430 0.982 -0.000 0.000 0.000 3/31212 840.0 8.330 8.330 0.971 -0.000 0.000 0.000 3/31212 850.0 8.232 8.232 0.960 -0.000 0.000 0.000 3/31212 860.0 8.136 8.136 0.949 -0.000 0.000 0.000 3/31212 870.0 8.042 8.042 0.938 -0.000 0.000 0.000 3/31212 880.0 7.951 7.951 0.928 -0.000 0.000 0.000 3/31212 890.0 7.861 7.861 0.917 -0.000 0.000 0.000 3/31212 900.0 7.774 7.774 0.907 -0.000 0.000 0.000 3/31212 910.0 7.688 7.688 0.898 -0.000 0.000 0.000 3/31212 920.0 7.605 7.605 0.888 -0.000 0.000 0.000 3/31212 930.0 7.523 7.523 0.879 -0.000 0.000 0.000 3/31212 940.0 7.443 7.443 0.870 -0.000 0.000 0.000 3/31212 950.0 7.365 7.365 0.861 -0.000 0.000 0.000 3/31212 960.0 7.288 7.288 0.852 -0.000 0.000 0.000 3/31212 970.0 7.213 7.213 0.843 -0.000 0.000 0.000 3/31212 980.0 7.139 7.139 0.835 -0.000 0.000 0.000 3/31212 990.0 7.067 7.067 0.826 -0.000 0.000 0.000 3/31212 1000.0 6.996 6.996 0.818 -0.000 0.000 0.000 3/31212 Thermal conductivity related properties were written into "kappa-m17179.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:16:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|