----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:14:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.947870569175513 1.124603597460030 7.567607909999992 b -1.947870569175509 1.124603597460030 7.567607909999992 c 0.000000000000001 -2.249207194920063 7.567607909999992 Atomic positions (fractional): *1 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 *2 Se 0.73288178150048 0.73288178150048 0.73288178150048 78.960 3 Se 0.26711821849953 0.26711821849953 0.26711821849952 78.960 *4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.895741138351023 0.000000000000000 0.000000000000000 b -1.947870569175511 3.373810792380093 0.000000000000000 c 0.000000000000000 0.000000000000000 22.702823729999999 Atomic positions (fractional): *1 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 1 2 Sc 0.66666666666667 0.33333333333333 0.33333333333333 44.956 > 1 3 Sc 0.33333333333333 0.66666666666667 0.66666666666667 44.956 > 1 *4 Se 0.66666666666667 0.33333333333333 0.06621511483381 78.960 > 2 5 Se 0.00000000000000 0.00000000000000 0.26711821849952 78.960 > 3 6 Se 0.33333333333333 0.66666666666667 0.39954844816714 78.960 > 2 7 Se 0.66666666666667 0.33333333333333 0.60045155183286 78.960 > 3 8 Se 0.00000000000000 0.00000000000000 0.73288178150048 78.960 > 2 9 Se 0.33333333333333 0.66666666666667 0.93378488516619 78.960 > 3 *10 Tl 0.33333333333333 0.66666666666667 0.16666666666667 204.383 > 4 11 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 4 12 Tl 0.66666666666667 0.33333333333333 0.83333333333333 204.383 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.687223415053069 0.000000000000000 0.000000000000000 b -5.843611707526533 10.121432377140279 0.000000000000000 c 0.000000000000000 0.000000000000000 22.702823729999999 Atomic positions (fractional): *1 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 1 2 Sc 0.33333333333333 0.00000000000000 0.00000000000000 44.956 > 1 3 Sc 0.66666666666667 0.00000000000000 0.00000000000000 44.956 > 1 4 Sc 0.00000000000000 0.33333333333333 0.00000000000000 44.956 > 1 5 Sc 0.33333333333333 0.33333333333333 0.00000000000000 44.956 > 1 6 Sc 0.66666666666667 0.33333333333333 0.00000000000000 44.956 > 1 7 Sc 0.00000000000000 0.66666666666667 0.00000000000000 44.956 > 1 8 Sc 0.33333333333333 0.66666666666667 0.00000000000000 44.956 > 1 9 Sc 0.66666666666667 0.66666666666667 0.00000000000000 44.956 > 1 10 Sc 0.22222222222222 0.11111111111111 0.33333333333333 44.956 > 1 11 Sc 0.55555555555556 0.11111111111111 0.33333333333333 44.956 > 1 12 Sc 0.88888888888889 0.11111111111111 0.33333333333333 44.956 > 1 13 Sc 0.22222222222222 0.44444444444444 0.33333333333333 44.956 > 1 14 Sc 0.55555555555556 0.44444444444444 0.33333333333333 44.956 > 1 15 Sc 0.88888888888889 0.44444444444444 0.33333333333333 44.956 > 1 16 Sc 0.22222222222222 0.77777777777778 0.33333333333333 44.956 > 1 17 Sc 0.55555555555556 0.77777777777778 0.33333333333333 44.956 > 1 18 Sc 0.88888888888889 0.77777777777778 0.33333333333333 44.956 > 1 19 Sc 0.11111111111111 0.22222222222222 0.66666666666667 44.956 > 1 20 Sc 0.44444444444444 0.22222222222222 0.66666666666667 44.956 > 1 21 Sc 0.77777777777778 0.22222222222222 0.66666666666667 44.956 > 1 22 Sc 0.11111111111111 0.55555555555556 0.66666666666667 44.956 > 1 23 Sc 0.44444444444444 0.55555555555556 0.66666666666667 44.956 > 1 24 Sc 0.77777777777778 0.55555555555556 0.66666666666667 44.956 > 1 25 Sc 0.11111111111111 0.88888888888889 0.66666666666667 44.956 > 1 26 Sc 0.44444444444444 0.88888888888889 0.66666666666667 44.956 > 1 27 Sc 0.77777777777778 0.88888888888889 0.66666666666667 44.956 > 1 *28 Se 0.22222222222222 0.11111111111111 0.06621511483381 78.960 > 2 29 Se 0.55555555555556 0.11111111111111 0.06621511483381 78.960 > 2 30 Se 0.88888888888889 0.11111111111111 0.06621511483381 78.960 > 2 31 Se 0.22222222222222 0.44444444444444 0.06621511483381 78.960 > 2 32 Se 0.55555555555556 0.44444444444444 0.06621511483381 78.960 > 2 33 Se 0.88888888888889 0.44444444444444 0.06621511483381 78.960 > 2 34 Se 0.22222222222222 0.77777777777778 0.06621511483381 78.960 > 2 35 Se 0.55555555555556 0.77777777777778 0.06621511483381 78.960 > 2 36 Se 0.88888888888889 0.77777777777778 0.06621511483381 78.960 > 2 37 Se 0.00000000000000 0.00000000000000 0.26711821849952 78.960 > 3 38 Se 0.33333333333333 0.00000000000000 0.26711821849952 78.960 > 3 39 Se 0.66666666666667 0.00000000000000 0.26711821849952 78.960 > 3 40 Se 0.00000000000000 0.33333333333333 0.26711821849952 78.960 > 3 41 Se 0.33333333333333 0.33333333333333 0.26711821849952 78.960 > 3 42 Se 0.66666666666667 0.33333333333333 0.26711821849952 78.960 > 3 43 Se 0.00000000000000 0.66666666666667 0.26711821849952 78.960 > 3 44 Se 0.33333333333333 0.66666666666667 0.26711821849952 78.960 > 3 45 Se 0.66666666666667 0.66666666666667 0.26711821849952 78.960 > 3 46 Se 0.11111111111111 0.22222222222222 0.39954844816714 78.960 > 2 47 Se 0.44444444444444 0.22222222222222 0.39954844816714 78.960 > 2 48 Se 0.77777777777778 0.22222222222222 0.39954844816714 78.960 > 2 49 Se 0.11111111111111 0.55555555555556 0.39954844816714 78.960 > 2 50 Se 0.44444444444444 0.55555555555556 0.39954844816714 78.960 > 2 51 Se 0.77777777777778 0.55555555555556 0.39954844816714 78.960 > 2 52 Se 0.11111111111111 0.88888888888889 0.39954844816714 78.960 > 2 53 Se 0.44444444444444 0.88888888888889 0.39954844816714 78.960 > 2 54 Se 0.77777777777778 0.88888888888889 0.39954844816714 78.960 > 2 55 Se 0.22222222222222 0.11111111111111 0.60045155183286 78.960 > 3 56 Se 0.55555555555556 0.11111111111111 0.60045155183286 78.960 > 3 57 Se 0.88888888888889 0.11111111111111 0.60045155183286 78.960 > 3 58 Se 0.22222222222222 0.44444444444444 0.60045155183286 78.960 > 3 59 Se 0.55555555555556 0.44444444444444 0.60045155183286 78.960 > 3 60 Se 0.88888888888889 0.44444444444444 0.60045155183286 78.960 > 3 61 Se 0.22222222222222 0.77777777777778 0.60045155183286 78.960 > 3 62 Se 0.55555555555556 0.77777777777778 0.60045155183286 78.960 > 3 63 Se 0.88888888888889 0.77777777777778 0.60045155183286 78.960 > 3 64 Se 0.00000000000000 0.00000000000000 0.73288178150048 78.960 > 2 65 Se 0.33333333333333 0.00000000000000 0.73288178150048 78.960 > 2 66 Se 0.66666666666667 0.00000000000000 0.73288178150048 78.960 > 2 67 Se 0.00000000000000 0.33333333333333 0.73288178150048 78.960 > 2 68 Se 0.33333333333333 0.33333333333333 0.73288178150048 78.960 > 2 69 Se 0.66666666666667 0.33333333333333 0.73288178150048 78.960 > 2 70 Se 0.00000000000000 0.66666666666667 0.73288178150048 78.960 > 2 71 Se 0.33333333333333 0.66666666666667 0.73288178150048 78.960 > 2 72 Se 0.66666666666667 0.66666666666667 0.73288178150048 78.960 > 2 73 Se 0.11111111111111 0.22222222222222 0.93378488516619 78.960 > 3 74 Se 0.44444444444444 0.22222222222222 0.93378488516619 78.960 > 3 75 Se 0.77777777777778 0.22222222222222 0.93378488516619 78.960 > 3 76 Se 0.11111111111111 0.55555555555556 0.93378488516619 78.960 > 3 77 Se 0.44444444444444 0.55555555555556 0.93378488516619 78.960 > 3 78 Se 0.77777777777778 0.55555555555556 0.93378488516619 78.960 > 3 79 Se 0.11111111111111 0.88888888888889 0.93378488516619 78.960 > 3 80 Se 0.44444444444444 0.88888888888889 0.93378488516619 78.960 > 3 81 Se 0.77777777777778 0.88888888888889 0.93378488516619 78.960 > 3 *82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 4 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 4 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 4 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 4 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 4 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 4 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 4 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 4 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 4 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 4 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 4 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 4 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 4 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 4 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 4 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 4 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 4 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 4 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 4 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 4 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 4 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 4 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 4 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 4 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 4 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 4 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9696404 0.0000000 0.0000000 0.0000000 10.9696404 0.0000000 0.0000000 0.0000000 11.7103838 -------------------------- Born effective charges -------------------------- 1 Sc 4.7750573 0.0000000 0.0000000 0.0000000 4.7750573 0.0000000 0.0000000 0.0000000 2.4842240 2 Se -3.2672690 -0.0000000 0.0000000 0.0000000 -3.2672690 0.0000000 0.0000000 0.0000000 -3.0863741 3 Se -3.2672690 -0.0000000 0.0000000 0.0000000 -3.2672690 0.0000000 0.0000000 0.0000000 -3.0863741 4 Tl 1.7594806 -0.0000000 0.0000000 0.0000000 1.7594806 0.0000000 0.0000000 0.0000000 3.6885241 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 80 / 80 - Time: 0.138 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.145 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 214 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (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 00:14:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:14:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.947870569175513 1.124603597460030 7.567607909999992 b -1.947870569175509 1.124603597460030 7.567607909999992 c 0.000000000000001 -2.249207194920063 7.567607909999992 Atomic positions (fractional): 1 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 2 Se 0.73288178150048 0.73288178150048 0.73288178150048 78.960 3 Se 0.26711821849953 0.26711821849953 0.26711821849952 78.960 4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.687223415053069 0.000000000000000 0.000000000000000 b -5.843611707526533 10.121432377140279 0.000000000000000 c 0.000000000000000 0.000000000000000 22.702823729999999 Atomic positions (fractional): 1 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 1 2 Sc 0.33333333333333 0.00000000000000 0.00000000000000 44.956 > 1 3 Sc 0.66666666666667 0.00000000000000 0.00000000000000 44.956 > 1 4 Sc 0.00000000000000 0.33333333333333 0.00000000000000 44.956 > 1 5 Sc 0.33333333333333 0.33333333333333 0.00000000000000 44.956 > 1 6 Sc 0.66666666666667 0.33333333333333 0.00000000000000 44.956 > 1 7 Sc 0.00000000000000 0.66666666666667 0.00000000000000 44.956 > 1 8 Sc 0.33333333333333 0.66666666666667 0.00000000000000 44.956 > 1 9 Sc 0.66666666666667 0.66666666666667 0.00000000000000 44.956 > 1 10 Sc 0.22222222222222 0.11111111111111 0.33333333333333 44.956 > 1 11 Sc 0.55555555555556 0.11111111111111 0.33333333333333 44.956 > 1 12 Sc 0.88888888888889 0.11111111111111 0.33333333333333 44.956 > 1 13 Sc 0.22222222222222 0.44444444444444 0.33333333333333 44.956 > 1 14 Sc 0.55555555555556 0.44444444444444 0.33333333333333 44.956 > 1 15 Sc 0.88888888888889 0.44444444444444 0.33333333333333 44.956 > 1 16 Sc 0.22222222222222 0.77777777777778 0.33333333333333 44.956 > 1 17 Sc 0.55555555555556 0.77777777777778 0.33333333333333 44.956 > 1 18 Sc 0.88888888888889 0.77777777777778 0.33333333333333 44.956 > 1 19 Sc 0.11111111111111 0.22222222222222 0.66666666666667 44.956 > 1 20 Sc 0.44444444444444 0.22222222222222 0.66666666666667 44.956 > 1 21 Sc 0.77777777777778 0.22222222222222 0.66666666666667 44.956 > 1 22 Sc 0.11111111111111 0.55555555555556 0.66666666666667 44.956 > 1 23 Sc 0.44444444444444 0.55555555555556 0.66666666666667 44.956 > 1 24 Sc 0.77777777777778 0.55555555555556 0.66666666666667 44.956 > 1 25 Sc 0.11111111111111 0.88888888888889 0.66666666666667 44.956 > 1 26 Sc 0.44444444444444 0.88888888888889 0.66666666666667 44.956 > 1 27 Sc 0.77777777777778 0.88888888888889 0.66666666666667 44.956 > 1 28 Se 0.22222222222222 0.11111111111111 0.06621511483381 78.960 > 28 29 Se 0.55555555555556 0.11111111111111 0.06621511483381 78.960 > 28 30 Se 0.88888888888889 0.11111111111111 0.06621511483381 78.960 > 28 31 Se 0.22222222222222 0.44444444444444 0.06621511483381 78.960 > 28 32 Se 0.55555555555556 0.44444444444444 0.06621511483381 78.960 > 28 33 Se 0.88888888888889 0.44444444444444 0.06621511483381 78.960 > 28 34 Se 0.22222222222222 0.77777777777778 0.06621511483381 78.960 > 28 35 Se 0.55555555555556 0.77777777777778 0.06621511483381 78.960 > 28 36 Se 0.88888888888889 0.77777777777778 0.06621511483381 78.960 > 28 37 Se 0.00000000000000 0.00000000000000 0.26711821849952 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.26711821849952 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.26711821849952 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.26711821849952 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.26711821849952 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.26711821849952 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.26711821849952 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.26711821849952 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.26711821849952 78.960 > 37 46 Se 0.11111111111111 0.22222222222222 0.39954844816714 78.960 > 28 47 Se 0.44444444444444 0.22222222222222 0.39954844816714 78.960 > 28 48 Se 0.77777777777778 0.22222222222222 0.39954844816714 78.960 > 28 49 Se 0.11111111111111 0.55555555555556 0.39954844816714 78.960 > 28 50 Se 0.44444444444444 0.55555555555556 0.39954844816714 78.960 > 28 51 Se 0.77777777777778 0.55555555555556 0.39954844816714 78.960 > 28 52 Se 0.11111111111111 0.88888888888889 0.39954844816714 78.960 > 28 53 Se 0.44444444444444 0.88888888888889 0.39954844816714 78.960 > 28 54 Se 0.77777777777778 0.88888888888889 0.39954844816714 78.960 > 28 55 Se 0.22222222222222 0.11111111111111 0.60045155183286 78.960 > 37 56 Se 0.55555555555556 0.11111111111111 0.60045155183286 78.960 > 37 57 Se 0.88888888888889 0.11111111111111 0.60045155183286 78.960 > 37 58 Se 0.22222222222222 0.44444444444444 0.60045155183286 78.960 > 37 59 Se 0.55555555555556 0.44444444444444 0.60045155183286 78.960 > 37 60 Se 0.88888888888889 0.44444444444444 0.60045155183286 78.960 > 37 61 Se 0.22222222222222 0.77777777777778 0.60045155183286 78.960 > 37 62 Se 0.55555555555556 0.77777777777778 0.60045155183286 78.960 > 37 63 Se 0.88888888888889 0.77777777777778 0.60045155183286 78.960 > 37 64 Se 0.00000000000000 0.00000000000000 0.73288178150048 78.960 > 28 65 Se 0.33333333333333 0.00000000000000 0.73288178150048 78.960 > 28 66 Se 0.66666666666667 0.00000000000000 0.73288178150048 78.960 > 28 67 Se 0.00000000000000 0.33333333333333 0.73288178150048 78.960 > 28 68 Se 0.33333333333333 0.33333333333333 0.73288178150048 78.960 > 28 69 Se 0.66666666666667 0.33333333333333 0.73288178150048 78.960 > 28 70 Se 0.00000000000000 0.66666666666667 0.73288178150048 78.960 > 28 71 Se 0.33333333333333 0.66666666666667 0.73288178150048 78.960 > 28 72 Se 0.66666666666667 0.66666666666667 0.73288178150048 78.960 > 28 73 Se 0.11111111111111 0.22222222222222 0.93378488516619 78.960 > 37 74 Se 0.44444444444444 0.22222222222222 0.93378488516619 78.960 > 37 75 Se 0.77777777777778 0.22222222222222 0.93378488516619 78.960 > 37 76 Se 0.11111111111111 0.55555555555556 0.93378488516619 78.960 > 37 77 Se 0.44444444444444 0.55555555555556 0.93378488516619 78.960 > 37 78 Se 0.77777777777778 0.55555555555556 0.93378488516619 78.960 > 37 79 Se 0.11111111111111 0.88888888888889 0.93378488516619 78.960 > 37 80 Se 0.44444444444444 0.88888888888889 0.93378488516619 78.960 > 37 81 Se 0.77777777777778 0.88888888888889 0.93378488516619 78.960 > 37 82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 82 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 82 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 82 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 82 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 82 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 82 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 82 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 82 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 82 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 82 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 82 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 82 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 82 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 82 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 82 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 82 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 82 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 82 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 82 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 82 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 82 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 82 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 82 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 82 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 82 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 82 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9696404 0.0000000 0.0000000 0.0000000 10.9696404 0.0000000 0.0000000 0.0000000 11.7103838 -------------------------- Born effective charges -------------------------- 1 Sc 4.7750573 0.0000000 0.0000000 0.0000000 4.7750573 0.0000000 0.0000000 0.0000000 2.4842240 2 Se -3.2672690 -0.0000000 0.0000000 0.0000000 -3.2672690 0.0000000 0.0000000 0.0000000 -3.0863741 3 Se -3.2672690 -0.0000000 0.0000000 0.0000000 -3.2672690 0.0000000 0.0000000 0.0000000 -3.0863741 4 Tl 1.7594806 -0.0000000 0.0000000 0.0000000 1.7594806 0.0000000 0.0000000 0.0000000 3.6885241 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 28, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) 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 00:14:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:14:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.947870569175513 1.124603597460030 7.567607909999992 b -1.947870569175509 1.124603597460030 7.567607909999992 c 0.000000000000001 -2.249207194920063 7.567607909999992 Atomic positions (fractional): 1 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 2 Se 0.73288178150048 0.73288178150048 0.73288178150048 78.960 3 Se 0.26711821849953 0.26711821849953 0.26711821849952 78.960 4 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.687223415053069 0.000000000000000 0.000000000000000 b -5.843611707526533 10.121432377140279 0.000000000000000 c 0.000000000000000 0.000000000000000 22.702823729999999 Atomic positions (fractional): 1 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 1 2 Sc 0.33333333333333 0.00000000000000 0.00000000000000 44.956 > 1 3 Sc 0.66666666666667 0.00000000000000 0.00000000000000 44.956 > 1 4 Sc 0.00000000000000 0.33333333333333 0.00000000000000 44.956 > 1 5 Sc 0.33333333333333 0.33333333333333 0.00000000000000 44.956 > 1 6 Sc 0.66666666666667 0.33333333333333 0.00000000000000 44.956 > 1 7 Sc 0.00000000000000 0.66666666666667 0.00000000000000 44.956 > 1 8 Sc 0.33333333333333 0.66666666666667 0.00000000000000 44.956 > 1 9 Sc 0.66666666666667 0.66666666666667 0.00000000000000 44.956 > 1 10 Sc 0.22222222222222 0.11111111111111 0.33333333333333 44.956 > 1 11 Sc 0.55555555555556 0.11111111111111 0.33333333333333 44.956 > 1 12 Sc 0.88888888888889 0.11111111111111 0.33333333333333 44.956 > 1 13 Sc 0.22222222222222 0.44444444444444 0.33333333333333 44.956 > 1 14 Sc 0.55555555555556 0.44444444444444 0.33333333333333 44.956 > 1 15 Sc 0.88888888888889 0.44444444444444 0.33333333333333 44.956 > 1 16 Sc 0.22222222222222 0.77777777777778 0.33333333333333 44.956 > 1 17 Sc 0.55555555555556 0.77777777777778 0.33333333333333 44.956 > 1 18 Sc 0.88888888888889 0.77777777777778 0.33333333333333 44.956 > 1 19 Sc 0.11111111111111 0.22222222222222 0.66666666666667 44.956 > 1 20 Sc 0.44444444444444 0.22222222222222 0.66666666666667 44.956 > 1 21 Sc 0.77777777777778 0.22222222222222 0.66666666666667 44.956 > 1 22 Sc 0.11111111111111 0.55555555555556 0.66666666666667 44.956 > 1 23 Sc 0.44444444444444 0.55555555555556 0.66666666666667 44.956 > 1 24 Sc 0.77777777777778 0.55555555555556 0.66666666666667 44.956 > 1 25 Sc 0.11111111111111 0.88888888888889 0.66666666666667 44.956 > 1 26 Sc 0.44444444444444 0.88888888888889 0.66666666666667 44.956 > 1 27 Sc 0.77777777777778 0.88888888888889 0.66666666666667 44.956 > 1 28 Se 0.22222222222222 0.11111111111111 0.06621511483381 78.960 > 28 29 Se 0.55555555555556 0.11111111111111 0.06621511483381 78.960 > 28 30 Se 0.88888888888889 0.11111111111111 0.06621511483381 78.960 > 28 31 Se 0.22222222222222 0.44444444444444 0.06621511483381 78.960 > 28 32 Se 0.55555555555556 0.44444444444444 0.06621511483381 78.960 > 28 33 Se 0.88888888888889 0.44444444444444 0.06621511483381 78.960 > 28 34 Se 0.22222222222222 0.77777777777778 0.06621511483381 78.960 > 28 35 Se 0.55555555555556 0.77777777777778 0.06621511483381 78.960 > 28 36 Se 0.88888888888889 0.77777777777778 0.06621511483381 78.960 > 28 37 Se 0.00000000000000 0.00000000000000 0.26711821849952 78.960 > 37 38 Se 0.33333333333333 0.00000000000000 0.26711821849952 78.960 > 37 39 Se 0.66666666666667 0.00000000000000 0.26711821849952 78.960 > 37 40 Se 0.00000000000000 0.33333333333333 0.26711821849952 78.960 > 37 41 Se 0.33333333333333 0.33333333333333 0.26711821849952 78.960 > 37 42 Se 0.66666666666667 0.33333333333333 0.26711821849952 78.960 > 37 43 Se 0.00000000000000 0.66666666666667 0.26711821849952 78.960 > 37 44 Se 0.33333333333333 0.66666666666667 0.26711821849952 78.960 > 37 45 Se 0.66666666666667 0.66666666666667 0.26711821849952 78.960 > 37 46 Se 0.11111111111111 0.22222222222222 0.39954844816714 78.960 > 28 47 Se 0.44444444444444 0.22222222222222 0.39954844816714 78.960 > 28 48 Se 0.77777777777778 0.22222222222222 0.39954844816714 78.960 > 28 49 Se 0.11111111111111 0.55555555555556 0.39954844816714 78.960 > 28 50 Se 0.44444444444444 0.55555555555556 0.39954844816714 78.960 > 28 51 Se 0.77777777777778 0.55555555555556 0.39954844816714 78.960 > 28 52 Se 0.11111111111111 0.88888888888889 0.39954844816714 78.960 > 28 53 Se 0.44444444444444 0.88888888888889 0.39954844816714 78.960 > 28 54 Se 0.77777777777778 0.88888888888889 0.39954844816714 78.960 > 28 55 Se 0.22222222222222 0.11111111111111 0.60045155183286 78.960 > 37 56 Se 0.55555555555556 0.11111111111111 0.60045155183286 78.960 > 37 57 Se 0.88888888888889 0.11111111111111 0.60045155183286 78.960 > 37 58 Se 0.22222222222222 0.44444444444444 0.60045155183286 78.960 > 37 59 Se 0.55555555555556 0.44444444444444 0.60045155183286 78.960 > 37 60 Se 0.88888888888889 0.44444444444444 0.60045155183286 78.960 > 37 61 Se 0.22222222222222 0.77777777777778 0.60045155183286 78.960 > 37 62 Se 0.55555555555556 0.77777777777778 0.60045155183286 78.960 > 37 63 Se 0.88888888888889 0.77777777777778 0.60045155183286 78.960 > 37 64 Se 0.00000000000000 0.00000000000000 0.73288178150048 78.960 > 28 65 Se 0.33333333333333 0.00000000000000 0.73288178150048 78.960 > 28 66 Se 0.66666666666667 0.00000000000000 0.73288178150048 78.960 > 28 67 Se 0.00000000000000 0.33333333333333 0.73288178150048 78.960 > 28 68 Se 0.33333333333333 0.33333333333333 0.73288178150048 78.960 > 28 69 Se 0.66666666666667 0.33333333333333 0.73288178150048 78.960 > 28 70 Se 0.00000000000000 0.66666666666667 0.73288178150048 78.960 > 28 71 Se 0.33333333333333 0.66666666666667 0.73288178150048 78.960 > 28 72 Se 0.66666666666667 0.66666666666667 0.73288178150048 78.960 > 28 73 Se 0.11111111111111 0.22222222222222 0.93378488516619 78.960 > 37 74 Se 0.44444444444444 0.22222222222222 0.93378488516619 78.960 > 37 75 Se 0.77777777777778 0.22222222222222 0.93378488516619 78.960 > 37 76 Se 0.11111111111111 0.55555555555556 0.93378488516619 78.960 > 37 77 Se 0.44444444444444 0.55555555555556 0.93378488516619 78.960 > 37 78 Se 0.77777777777778 0.55555555555556 0.93378488516619 78.960 > 37 79 Se 0.11111111111111 0.88888888888889 0.93378488516619 78.960 > 37 80 Se 0.44444444444444 0.88888888888889 0.93378488516619 78.960 > 37 81 Se 0.77777777777778 0.88888888888889 0.93378488516619 78.960 > 37 82 Tl 0.11111111111111 0.22222222222222 0.16666666666667 204.383 > 82 83 Tl 0.44444444444444 0.22222222222222 0.16666666666667 204.383 > 82 84 Tl 0.77777777777778 0.22222222222222 0.16666666666667 204.383 > 82 85 Tl 0.11111111111111 0.55555555555556 0.16666666666667 204.383 > 82 86 Tl 0.44444444444444 0.55555555555556 0.16666666666667 204.383 > 82 87 Tl 0.77777777777778 0.55555555555556 0.16666666666667 204.383 > 82 88 Tl 0.11111111111111 0.88888888888889 0.16666666666667 204.383 > 82 89 Tl 0.44444444444444 0.88888888888889 0.16666666666667 204.383 > 82 90 Tl 0.77777777777778 0.88888888888889 0.16666666666667 204.383 > 82 91 Tl 0.00000000000000 0.00000000000000 0.50000000000000 204.383 > 82 92 Tl 0.33333333333333 0.00000000000000 0.50000000000000 204.383 > 82 93 Tl 0.66666666666667 0.00000000000000 0.50000000000000 204.383 > 82 94 Tl 0.00000000000000 0.33333333333333 0.50000000000000 204.383 > 82 95 Tl 0.33333333333333 0.33333333333333 0.50000000000000 204.383 > 82 96 Tl 0.66666666666667 0.33333333333333 0.50000000000000 204.383 > 82 97 Tl 0.00000000000000 0.66666666666667 0.50000000000000 204.383 > 82 98 Tl 0.33333333333333 0.66666666666667 0.50000000000000 204.383 > 82 99 Tl 0.66666666666667 0.66666666666667 0.50000000000000 204.383 > 82 100 Tl 0.22222222222222 0.11111111111111 0.83333333333333 204.383 > 82 101 Tl 0.55555555555556 0.11111111111111 0.83333333333333 204.383 > 82 102 Tl 0.88888888888889 0.11111111111111 0.83333333333333 204.383 > 82 103 Tl 0.22222222222222 0.44444444444444 0.83333333333333 204.383 > 82 104 Tl 0.55555555555556 0.44444444444444 0.83333333333333 204.383 > 82 105 Tl 0.88888888888889 0.44444444444444 0.83333333333333 204.383 > 82 106 Tl 0.22222222222222 0.77777777777778 0.83333333333333 204.383 > 82 107 Tl 0.55555555555556 0.77777777777778 0.83333333333333 204.383 > 82 108 Tl 0.88888888888889 0.77777777777778 0.83333333333333 204.383 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.9696404 0.0000000 0.0000000 0.0000000 10.9696404 0.0000000 0.0000000 0.0000000 11.7103838 -------------------------- Born effective charges -------------------------- 1 Sc 4.7750573 0.0000000 0.0000000 0.0000000 4.7750573 0.0000000 0.0000000 0.0000000 2.4842240 2 Se -3.2672690 -0.0000000 0.0000000 0.0000000 -3.2672690 0.0000000 0.0000000 0.0000000 -3.0863741 3 Se -3.2672690 -0.0000000 0.0000000 0.0000000 -3.2672690 0.0000000 0.0000000 0.0000000 -3.0863741 4 Tl 1.7594806 -0.0000000 0.0000000 0.0000000 1.7594806 0.0000000 0.0000000 0.0000000 3.6885241 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.90, Number of G-points: 295, Lambda: 0.31 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.502 ( 0.000 0.000 0.000) 0.000 1.502 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 14.131 8.158 -13.171) 20.970 0.318 ( 16.077 9.282 -19.217) 26.720 0.721 ( 25.647 14.807 19.676) 35.555 1.524 ( 2.121 1.225 -0.644) 2.533 1.730 ( 9.173 5.296 -2.316) 10.842 2.244 ( -0.562 -0.325 10.887) 10.907 3.856 ( -0.614 -0.354 0.708) 1.002 3.900 ( 3.155 1.821 0.518) 3.679 5.030 ( -2.320 -1.339 -0.093) 2.680 5.281 ( -0.916 -0.529 -0.780) 1.314 7.619 ( 8.226 4.749 -58.757) 59.520 7.940 ( -15.156 -8.751 38.758) 42.526 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 13.994 8.080 -9.967) 18.986 0.614 ( 14.531 8.390 -18.258) 24.797 1.199 ( 11.727 6.770 9.855) 16.748 1.604 ( 5.441 3.142 -1.257) 6.408 2.081 ( 21.159 12.216 3.261) 24.649 2.274 ( 1.728 0.998 1.571) 2.540 3.840 ( -1.016 -0.587 1.317) 1.763 4.007 ( 5.730 3.308 2.634) 7.122 4.960 ( -3.743 -2.161 0.637) 4.368 5.251 ( -1.273 -0.735 -1.323) 1.978 7.589 ( -17.799 -10.276 13.552) 24.618 7.650 ( 0.700 0.404 -22.937) 22.951 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 10.994 6.347 -6.302) 14.173 0.868 ( 12.162 7.022 -16.491) 21.660 1.362 ( 2.513 1.451 1.405) 3.223 1.782 ( 10.834 6.255 -1.933) 12.659 2.328 ( 3.975 2.295 -3.183) 5.586 2.636 ( 23.926 13.814 2.980) 27.788 3.820 ( -1.141 -0.659 1.801) 2.232 4.166 ( 6.695 3.866 5.799) 9.664 4.874 ( -3.796 -2.192 2.092) 4.857 5.221 ( -0.896 -0.517 -1.478) 1.804 7.076 ( -26.762 -15.451 6.948) 31.674 7.663 ( 2.575 1.487 -13.226) 13.556 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 6.454 3.726 -3.478) 8.224 1.071 ( 9.529 5.501 -13.515) 17.427 1.365 ( -1.184 -0.684 -3.596) 3.847 2.083 ( 15.523 8.962 -2.521) 18.101 2.432 ( 6.078 3.509 -4.452) 8.311 3.135 ( 18.810 10.860 -1.175) 21.752 3.800 ( -1.083 -0.626 2.243) 2.568 4.316 ( 3.739 2.159 6.884) 8.126 4.816 ( -1.575 -0.909 3.675) 4.101 5.205 ( -0.084 -0.048 -1.246) 1.249 6.448 ( -28.419 -16.408 1.372) 32.844 7.684 ( 1.840 1.062 -6.112) 6.470 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 3.460 1.998 -1.813) 4.388 1.205 ( 3.225 1.862 -6.876) 7.820 1.347 ( 3.336 1.926 -6.783) 7.800 2.440 ( 15.667 9.045 -2.898) 18.321 2.571 ( 6.965 4.021 -4.397) 9.166 3.467 ( 10.700 6.178 -2.856) 12.681 3.784 ( -1.002 -0.578 2.631) 2.874 4.317 ( -5.919 -3.417 3.797) 7.819 4.844 ( 2.954 1.705 3.618) 4.972 5.209 ( 0.629 0.363 -0.777) 1.064 5.846 ( -22.857 -13.197 -0.757) 26.404 7.714 ( 1.783 1.030 -1.704) 2.673 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 1.778 1.026 -0.850) 2.222 1.189 ( -1.386 -0.800 -2.526) 2.990 1.488 ( 8.439 4.872 -4.019) 10.541 2.719 ( 7.098 4.098 -3.705) 8.994 2.748 ( 11.468 6.621 -2.763) 13.527 3.613 ( 2.581 1.490 -0.351) 3.001 3.769 ( -0.904 -0.522 2.524) 2.732 4.072 ( -14.269 -8.238 -1.758) 16.570 4.935 ( 3.638 2.100 0.841) 4.284 5.225 ( 0.809 0.467 -0.320) 0.987 5.461 ( -10.574 -6.105 0.531) 12.221 7.753 ( 1.659 0.958 0.475) 1.974 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.587 -0.339 -0.738) 1.003 1.199 ( 0.561 0.324 -0.245) 0.693 1.643 ( 4.398 2.539 -0.545) 5.108 2.862 ( 5.158 2.978 -1.744) 6.206 2.925 ( 4.246 2.452 -1.256) 5.062 3.564 ( -6.145 -3.548 2.127) 7.408 3.759 ( -0.433 -0.250 1.148) 1.252 3.818 ( -4.049 -2.338 -3.544) 5.867 4.996 ( 1.427 0.824 -0.234) 1.664 5.239 ( 0.364 0.210 -0.064) 0.425 5.328 ( -2.376 -1.372 0.710) 2.834 7.784 ( 0.721 0.416 0.481) 0.961 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 0.000 15.082 17.911) 23.415 0.461 ( 0.000 22.478 0.238) 22.479 0.620 ( 0.000 26.537 8.613) 27.899 1.530 ( 0.000 2.821 0.572) 2.878 1.706 ( 0.000 10.978 -6.341) 12.678 2.293 ( 0.000 -5.262 19.504) 20.201 3.846 ( -0.000 -1.140 -1.600) 1.965 3.902 ( 0.000 3.517 0.974) 3.649 5.029 ( -0.000 -2.793 -0.511) 2.839 5.289 ( 0.000 -0.695 1.142) 1.337 7.352 ( -0.000 15.824 -71.500) 73.230 8.115 ( 0.000 -16.070 33.841) 37.463 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -7.992 14.582 14.650) 22.161 0.742 ( 2.047 24.666 -13.345) 28.120 1.085 ( 14.580 10.785 12.861) 22.233 1.586 ( 2.065 5.657 0.212) 6.025 1.937 ( 12.647 16.827 -0.758) 21.064 2.287 ( -0.915 -0.059 6.121) 6.190 3.842 ( 0.861 -1.180 -0.779) 1.655 3.966 ( 2.838 4.004 2.053) 5.319 4.978 ( -1.733 -3.780 -0.264) 4.166 5.265 ( -1.730 -0.842 0.386) 1.962 7.403 ( 11.087 -0.267 -35.879) 37.554 7.884 ( -17.129 -11.479 16.888) 26.652 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 8.409 7.658 2.362) 11.616 0.957 ( 1.679 19.227 -11.116) 22.272 1.323 ( 4.729 2.228 3.423) 6.248 1.726 ( 5.487 10.095 -0.709) 11.512 2.299 ( 1.661 3.041 -1.527) 3.786 2.432 ( 19.500 19.130 2.349) 27.418 3.841 ( -0.359 0.168 0.343) 0.524 4.090 ( 6.473 2.507 4.822) 8.452 4.903 ( -2.396 -3.926 0.863) 4.680 5.228 ( -1.376 -0.814 -0.277) 1.622 7.409 ( -15.264 -14.679 3.246) 21.424 7.504 ( -0.415 -1.982 -13.986) 14.132 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 11.760 3.427 -3.470) 12.732 1.110 ( 1.073 12.696 -7.702) 14.889 1.362 ( -0.224 -0.657 -2.554) 2.647 1.974 ( 9.943 13.854 -1.650) 17.132 2.369 ( 3.932 4.042 -3.984) 6.905 2.948 ( 18.070 16.295 -0.567) 24.339 3.835 ( -1.409 1.471 0.875) 2.217 4.243 ( 7.102 -0.433 6.900) 9.912 4.836 ( -1.597 -2.826 2.385) 4.028 5.208 ( -0.381 0.297 -0.404) 0.630 6.841 ( -30.558 -11.128 2.407) 32.610 7.543 ( 8.210 -6.277 -9.577) 14.089 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 9.826 1.422 -4.360) 10.843 1.201 ( 0.449 5.921 -4.338) 7.354 1.330 ( -0.528 1.283 -5.716) 5.882 2.310 ( 12.489 14.927 -2.197) 19.586 2.485 ( 5.914 4.269 -3.912) 8.276 3.338 ( 12.319 10.361 -2.611) 16.307 3.828 ( -1.945 2.250 1.216) 3.213 4.316 ( 1.477 -5.768 4.989) 7.768 4.827 ( 1.547 0.174 3.330) 3.676 5.220 ( 0.247 2.339 -0.297) 2.371 6.213 ( -30.803 -7.551 -0.494) 31.719 7.594 ( 7.715 -6.827 -3.965) 11.038 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 5.534 0.565 -3.066) 6.352 1.200 ( -1.283 -0.486 -1.627) 2.128 1.399 ( 5.526 5.906 -4.433) 9.224 2.623 ( 6.892 3.718 -2.844) 8.331 2.652 ( 10.696 13.809 -2.996) 17.722 3.556 ( 5.734 3.905 -1.125) 7.028 3.821 ( -2.114 2.678 1.023) 3.562 4.187 ( -8.459 -9.485 1.192) 12.765 4.894 ( 3.342 1.477 1.310) 3.881 5.256 ( 0.053 4.229 -0.212) 4.234 5.697 ( -22.336 -1.932 -0.117) 22.420 7.649 ( 7.170 -6.579 -0.899) 9.773 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.650 -1.095 -2.332) 2.657 1.192 ( 0.669 0.990 -0.073) 1.197 1.558 ( 7.178 3.132 -1.253) 7.931 2.769 ( 7.112 2.585 -1.816) 7.782 2.912 ( 5.110 11.462 -2.403) 12.777 3.607 ( -1.264 -2.332 2.168) 3.426 3.815 ( -1.714 2.508 -0.821) 3.147 3.913 ( -11.835 -3.815 -0.413) 12.442 4.954 ( 2.699 -0.358 -0.532) 2.774 5.297 ( -0.604 4.716 -0.126) 4.756 5.427 ( -10.925 3.002 1.025) 11.377 7.696 ( 5.927 -6.616 -0.278) 8.887 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.865 -0.647 -0.499) 1.190 1.206 ( -0.255 0.590 -0.120) 0.654 1.642 ( 1.375 -2.186 -0.896) 2.734 2.863 ( 1.868 -2.287 -0.474) 2.991 3.017 ( -3.433 7.003 -0.389) 7.809 3.539 ( -1.093 1.084 1.453) 2.117 3.797 ( 0.151 1.303 0.943) 1.615 3.822 ( -2.973 4.508 1.063) 5.504 4.977 ( 1.456 -2.009 0.151) 2.485 5.320 ( -0.231 0.449 0.159) 0.529 5.348 ( -6.057 9.797 -0.258) 11.521 7.712 ( 4.169 -7.380 -1.246) 8.567 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 1.827 -0.298 1.447) 2.350 1.193 ( -1.327 -0.487 0.051) 1.415 1.566 ( -4.793 -4.804 0.292) 6.792 2.785 ( -4.625 -5.337 1.746) 7.275 2.929 ( -11.661 1.504 1.522) 11.856 3.599 ( 2.144 0.670 0.386) 2.279 3.817 ( -2.945 4.918 -0.241) 5.737 3.930 ( 10.130 5.787 3.459) 12.168 4.959 ( -1.532 -2.314 0.625) 2.845 5.297 ( -3.657 2.798 -0.074) 4.605 5.419 ( 2.852 11.215 -0.653) 11.591 7.689 ( 3.049 -8.445 -1.960) 9.189 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -2.918 -3.831 2.461) 5.408 1.216 ( 2.321 0.331 2.063) 3.122 1.437 ( -5.583 -2.379 4.104) 7.326 2.649 ( -6.671 -4.879 3.114) 8.832 2.679 ( -16.321 -2.299 2.727) 16.706 3.568 ( -5.104 -2.931 1.605) 6.101 3.815 ( -2.500 4.374 -0.429) 5.056 4.176 ( 10.736 1.574 -1.082) 10.905 4.879 ( -4.350 -2.298 -1.957) 5.294 5.257 ( -3.479 1.920 0.156) 3.977 5.702 ( 13.210 18.873 1.097) 23.063 7.649 ( 3.267 -9.190 -0.894) 9.794 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -4.981 -8.349 4.994) 10.929 1.236 ( -2.565 0.762 3.637) 4.515 1.381 ( -1.653 0.903 5.612) 5.920 2.332 ( -19.150 -3.721 2.742) 19.699 2.520 ( -6.303 -3.353 3.844) 8.108 3.359 ( -15.308 -5.725 2.110) 16.479 3.818 ( -1.645 3.804 -1.125) 4.294 4.270 ( 2.817 -4.428 -5.219) 7.401 4.797 ( -1.155 -0.774 -3.595) 3.854 5.224 ( -1.841 0.594 0.596) 2.024 6.219 ( 21.000 22.819 0.702) 31.019 7.621 ( 4.137 -9.502 2.092) 10.572 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -7.794 -12.197 7.025) 16.089 1.173 ( -8.542 3.480 6.370) 11.210 1.382 ( -1.520 -0.493 1.934) 2.509 1.993 ( -17.209 -2.097 2.600) 17.530 2.401 ( -5.571 -1.937 3.208) 6.714 2.948 ( -24.735 -7.498 -0.664) 25.855 3.825 ( -0.842 2.759 -1.394) 3.204 4.188 ( -3.125 -5.732 -5.354) 8.443 4.815 ( 3.606 0.735 -2.351) 4.367 5.214 ( 0.218 -0.079 0.936) 0.964 6.816 ( 22.721 20.635 -3.198) 30.859 7.614 ( 4.610 -9.526 6.487) 12.413 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -10.276 -12.296 6.810) 17.411 1.049 ( -14.274 5.827 9.113) 17.910 1.290 ( -7.675 -3.401 -3.826) 9.225 1.735 ( -11.833 -0.581 1.396) 11.929 2.312 ( -4.265 -0.692 1.506) 4.576 2.407 ( -27.677 -6.194 -3.028) 28.523 3.835 ( 0.025 1.297 -1.056) 1.672 4.059 ( -4.824 -3.267 -2.207) 6.230 4.895 ( 4.925 0.773 -0.869) 5.061 5.233 ( 1.549 -0.010 0.803) 1.745 7.345 ( 19.808 14.812 -9.467) 26.484 7.629 ( 4.551 -8.877 12.207) 15.764 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -10.812 0.000 0.000) 10.812 0.822 ( -20.032 0.000 0.000) 20.032 1.008 ( -20.574 0.000 0.000) 20.574 1.585 ( -5.818 0.000 0.000) 5.818 1.942 ( -19.852 0.000 0.000) 19.852 2.256 ( -2.514 0.000 0.000) 2.514 3.846 ( 0.662 -0.000 -0.000) 0.662 3.957 ( -4.717 0.000 0.000) 4.717 4.979 ( 4.252 -0.000 -0.000) 4.252 5.264 ( 1.604 -0.000 -0.000) 1.604 7.669 ( 3.555 -0.000 -0.000) 3.555 7.707 ( 14.584 -0.000 -0.000) 14.584 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 0.000 11.842 12.481) 17.205 0.873 ( 0.000 18.778 -0.364) 18.782 1.096 ( 0.000 15.729 8.147) 17.714 1.637 ( 0.000 7.739 2.420) 8.108 2.009 ( 0.000 22.845 -3.798) 23.158 2.317 ( 0.000 0.574 5.535) 5.564 3.803 ( -0.000 -1.802 -2.740) 3.279 4.002 ( 0.000 5.383 1.716) 5.650 4.946 ( -0.000 -4.986 -0.747) 5.041 5.280 ( 0.000 -1.113 1.727) 2.054 7.179 ( -0.000 -4.166 -27.731) 28.042 7.962 ( 0.000 -11.352 9.003) 14.488 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -11.016 13.452 13.497) 22.011 1.080 ( 1.549 15.008 -6.301) 16.351 1.291 ( 3.849 5.650 4.804) 8.356 1.767 ( 3.040 12.043 1.957) 12.574 2.316 ( 2.342 8.242 -0.968) 8.623 2.383 ( 9.195 20.665 0.306) 22.620 3.808 ( 3.006 -1.228 -1.844) 3.734 4.068 ( 1.260 4.385 2.954) 5.435 4.884 ( -0.824 -5.304 -0.240) 5.373 5.253 ( -1.919 -0.841 1.365) 2.501 7.129 ( 9.509 -13.061 -14.491) 21.702 7.742 ( -15.049 -7.401 1.367) 16.826 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -3.689 11.884 9.210) 15.481 1.197 ( 0.050 9.447 -4.170) 10.326 1.355 ( 0.015 1.521 -2.193) 2.669 1.986 ( 6.093 15.948 -0.133) 17.073 2.363 ( 0.781 5.200 -2.908) 6.009 2.849 ( 14.599 21.742 -1.620) 26.239 3.853 ( 2.051 1.379 -1.146) 2.724 4.150 ( 4.128 0.215 5.647) 6.998 4.823 ( -0.493 -4.266 0.884) 4.385 5.226 ( -1.065 0.440 1.165) 1.638 7.067 ( -0.628 -19.592 -2.002) 19.704 7.404 ( -12.024 -2.084 -7.178) 14.158 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.868 8.405 3.844) 9.429 1.241 ( -0.973 1.826 -1.285) 2.436 1.348 ( -0.902 3.869 -6.196) 7.360 2.285 ( 9.174 17.894 -1.163) 20.142 2.442 ( 3.210 5.481 -2.967) 7.011 3.250 ( 11.308 14.879 -2.816) 18.899 3.885 ( -0.795 3.356 -1.269) 3.675 4.220 ( 3.885 -5.268 5.196) 8.357 4.806 ( 1.513 -1.162 2.003) 2.766 5.238 ( 0.394 2.437 1.057) 2.685 6.650 ( -25.293 -9.164 -1.211) 26.930 7.334 ( 8.097 -9.568 -5.042) 13.511 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 3.650 5.311 0.821) 6.496 1.208 ( -1.242 -1.694 -0.945) 2.304 1.390 ( 1.573 5.740 -3.350) 6.829 2.556 ( 4.784 4.739 -1.375) 6.873 2.628 ( 9.952 18.062 -2.234) 20.743 3.505 ( 6.222 7.703 -1.378) 9.997 3.887 ( -2.214 3.022 -1.190) 3.931 4.184 ( -1.440 -7.961 1.516) 8.231 4.857 ( 3.019 1.188 0.925) 3.374 5.284 ( 0.903 3.386 0.607) 3.557 6.133 ( -27.091 -0.371 -1.533) 27.137 7.388 ( 11.076 -11.771 -1.360) 16.219 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 1.104 0.926 -1.673) 2.208 1.194 ( 0.608 0.939 0.928) 1.454 1.489 ( 4.491 3.783 0.142) 5.874 2.687 ( 5.510 3.801 0.249) 6.698 2.946 ( 7.009 17.213 -2.496) 18.752 3.607 ( 0.587 1.053 1.387) 1.838 3.856 ( -2.690 0.364 -3.125) 4.140 4.055 ( -6.463 -2.285 0.444) 6.869 4.907 ( 2.048 -0.210 -1.336) 2.454 5.325 ( 0.348 1.921 0.138) 1.957 5.763 ( -19.503 8.213 0.209) 21.163 7.457 ( 10.577 -12.068 -0.286) 16.049 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.615 -0.745 -1.260) 1.587 1.221 ( -0.116 1.828 0.513) 1.902 1.580 ( 3.153 -0.815 0.201) 3.263 2.799 ( 3.553 0.657 0.824) 3.706 3.160 ( -0.741 14.072 -1.104) 14.134 3.583 ( -1.936 0.354 0.948) 2.184 3.806 ( -1.150 -0.151 -1.192) 1.663 3.965 ( -5.890 4.794 1.409) 7.724 4.924 ( 2.030 -1.881 -0.922) 2.917 5.331 ( -0.429 -0.016 0.162) 0.459 5.620 ( -11.444 14.032 0.358) 18.111 7.497 ( 8.454 -12.783 -1.232) 15.375 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 1.749 -0.622 -0.363) 1.891 1.220 ( -1.721 0.692 0.550) 1.934 1.565 ( -1.213 -4.239 -1.378) 4.620 2.792 ( -2.110 -4.012 0.059) 4.534 3.169 ( -10.242 7.742 0.055) 12.839 3.602 ( 0.000 2.799 2.658) 3.860 3.852 ( 4.897 2.585 3.694) 6.657 3.942 ( -3.629 6.950 -0.926) 7.895 4.941 ( 1.628 -1.725 0.916) 2.543 5.330 ( 0.111 0.544 0.035) 0.556 5.614 ( -6.931 16.884 -0.292) 18.254 7.485 ( 6.456 -14.183 -2.611) 15.800 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.291 -1.647 2.838) 3.294 1.179 ( -0.922 -0.510 -0.706) 1.268 1.485 ( -2.585 -2.923 -0.347) 3.918 2.692 ( -3.994 -4.466 0.869) 6.054 2.980 ( -17.159 2.302 1.139) 17.350 3.612 ( -1.837 0.057 1.921) 2.659 3.917 ( -2.370 3.982 2.900) 5.467 4.038 ( 6.732 3.899 -0.835) 7.824 4.923 ( -2.684 -1.616 0.347) 3.152 5.326 ( -2.027 0.703 0.201) 2.155 5.766 ( 3.572 22.177 0.644) 22.472 7.435 ( 6.200 -15.412 -2.725) 16.834 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -5.843 -4.412 2.967) 7.900 1.226 ( 2.962 -0.067 0.939) 3.108 1.437 ( -1.685 0.072 1.958) 2.584 2.577 ( -6.146 -3.445 1.466) 7.196 2.672 ( -18.727 -0.198 1.810) 18.815 3.528 ( -8.139 -1.840 1.206) 8.431 3.920 ( -3.569 5.387 2.178) 6.819 4.143 ( 4.852 -2.975 -2.797) 6.342 4.830 ( -4.799 -1.329 -1.943) 5.345 5.280 ( -3.533 0.384 0.168) 3.557 6.162 ( 13.833 24.033 1.622) 27.777 7.392 ( 7.526 -15.287 -1.053) 17.072 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -8.540 -4.585 2.813) 10.093 1.258 ( 0.066 0.242 0.724) 0.766 1.424 ( -1.702 0.668 2.253) 2.902 2.305 ( -19.269 -0.726 1.186) 19.319 2.490 ( -5.878 -1.198 1.635) 6.218 3.284 ( -18.637 -2.323 0.675) 18.794 3.906 ( -4.456 4.252 1.039) 6.246 4.134 ( 1.025 -5.044 -3.656) 6.313 4.774 ( 0.264 -0.095 -1.455) 1.482 5.230 ( -2.129 -0.031 0.207) 2.140 6.660 ( 18.352 17.679 -0.091) 25.482 7.394 ( 8.600 -11.863 1.299) 14.710 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -11.119 0.000 0.000) 11.119 1.230 ( -4.236 0.000 0.000) 4.236 1.380 ( -4.554 0.000 0.000) 4.554 1.990 ( -17.117 0.000 0.000) 17.117 2.392 ( -5.253 0.000 0.000) 5.253 2.865 ( -27.682 0.000 0.000) 27.682 3.863 ( -2.590 0.000 0.000) 2.590 4.095 ( -1.901 0.000 0.000) 1.901 4.815 ( 4.173 -0.000 -0.000) 4.173 5.215 ( 0.305 -0.000 -0.000) 0.305 7.085 ( 19.734 -0.000 -0.000) 19.734 7.474 ( 7.802 -0.000 -0.000) 7.802 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 6.055 5.081) 7.905 1.180 ( 0.000 12.151 -0.445) 12.159 1.347 ( 0.000 6.690 5.078) 8.399 1.877 ( 0.000 14.149 4.432) 14.826 2.374 ( 0.000 6.270 -1.074) 6.361 2.541 ( 0.000 28.526 -1.605) 28.571 3.751 ( -0.000 -1.531 -2.735) 3.134 4.119 ( 0.000 4.958 2.120) 5.392 4.834 ( -0.000 -5.708 -0.359) 5.720 5.266 ( 0.000 -1.265 1.453) 1.927 6.856 ( -0.000 -17.491 -8.584) 19.483 7.799 ( -0.000 -6.560 -2.716) 7.100 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -4.575 6.561 5.332) 9.613 1.271 ( -0.887 6.436 0.184) 6.500 1.395 ( -1.520 4.014 -0.587) 4.332 2.070 ( 3.384 16.517 2.486) 17.042 2.423 ( -1.121 6.934 -1.892) 7.275 2.889 ( 7.336 26.553 -2.722) 27.682 3.781 ( 5.085 -0.212 -1.801) 5.399 4.159 ( -0.882 2.712 3.260) 4.331 4.781 ( 0.211 -4.641 0.320) 4.657 5.249 ( -0.737 -0.418 1.324) 1.572 6.722 ( 8.267 -22.189 -3.274) 23.904 7.623 ( -12.251 -3.475 -5.386) 13.826 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -2.946 7.206 5.207) 9.366 1.270 ( -2.656 -0.241 0.445) 2.704 1.399 ( -1.419 4.750 -4.206) 6.502 2.330 ( 6.534 18.048 -0.340) 19.197 2.474 ( -0.214 7.431 -1.162) 7.525 3.241 ( 7.729 18.898 -3.239) 20.673 3.878 ( 4.731 2.074 -2.991) 5.969 4.159 ( -0.681 -2.399 4.564) 5.201 4.767 ( 1.817 -1.444 1.189) 2.608 5.258 ( 0.562 1.826 1.596) 2.489 6.635 ( 6.510 -22.460 -1.531) 23.434 7.335 ( -14.658 -1.251 -5.070) 15.561 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.628 7.090 4.565) 8.456 1.208 ( -2.073 -2.427 -0.864) 3.307 1.421 ( -0.080 4.245 -2.038) 4.710 2.549 ( 2.407 6.919 -1.592) 7.497 2.652 ( 8.210 18.716 0.540) 20.445 3.495 ( 5.186 11.212 -1.467) 12.440 3.938 ( 0.015 3.047 -3.535) 4.667 4.114 ( 0.106 -6.899 1.345) 7.030 4.819 ( 3.116 1.536 0.530) 3.514 5.303 ( 0.893 2.888 1.295) 3.289 6.443 ( -8.911 -10.869 -2.677) 14.308 7.145 ( -0.719 -6.796 -1.186) 6.936 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -2.135 0.875 0.899) 2.477 1.197 ( 1.494 3.203 2.365) 4.252 1.471 ( 1.970 2.788 0.972) 3.549 2.663 ( 3.330 6.020 2.050) 7.178 2.987 ( 8.665 19.000 -1.507) 20.937 3.624 ( 0.745 4.278 1.092) 4.478 3.905 ( -4.030 -0.165 -3.287) 5.203 4.072 ( 1.259 -2.609 -2.250) 3.668 4.872 ( 1.563 0.451 -1.877) 2.484 5.336 ( 0.086 1.258 0.291) 1.294 6.164 ( -16.623 3.902 -1.381) 17.130 7.138 ( 9.561 -12.617 0.762) 15.848 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.888 -0.512 0.058) 1.027 1.253 ( -0.214 3.735 1.779) 4.142 1.532 ( 2.281 -0.191 1.937) 2.999 2.777 ( 2.314 3.850 3.506) 5.698 3.291 ( 4.501 18.259 -1.015) 18.833 3.621 ( -2.212 0.412 0.964) 2.448 3.830 ( -2.616 -0.216 -3.071) 4.040 4.069 ( -1.232 1.808 -1.315) 2.552 4.874 ( 0.889 -1.830 -2.265) 3.044 5.332 ( -0.395 -0.861 -0.272) 0.986 5.987 ( -13.862 13.313 0.444) 19.225 7.184 ( 10.741 -15.034 -0.127) 18.477 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.324 -0.451 -0.243) 0.606 1.270 ( -2.011 2.551 1.218) 3.469 1.535 ( -0.201 -3.262 -0.304) 3.282 2.803 ( -2.127 -0.729 1.416) 2.657 3.414 ( -7.039 10.864 0.117) 12.945 3.654 ( -0.248 5.249 1.046) 5.358 3.809 ( 2.768 0.476 1.375) 3.127 4.056 ( -2.676 3.923 -1.111) 4.877 4.881 ( 2.957 -1.801 -0.335) 3.479 5.323 ( 0.637 -0.665 -0.202) 0.943 5.937 ( -10.242 17.238 0.517) 20.058 7.191 ( 8.620 -16.812 -1.907) 18.989 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 1.944 -0.404 -0.100) 1.988 1.237 ( -4.139 0.431 1.004) 4.281 1.482 ( -1.181 -2.917 -1.453) 3.466 2.725 ( -4.276 -2.474 0.090) 4.941 3.300 ( -15.361 5.073 -0.154) 16.178 3.653 ( -1.694 0.649 2.653) 3.214 3.921 ( 4.465 1.792 3.260) 5.811 4.061 ( -1.573 5.293 -1.954) 5.857 4.922 ( 1.915 -0.798 1.031) 2.317 5.339 ( 0.929 0.275 0.072) 0.971 5.990 ( -4.154 19.823 0.696) 20.266 7.143 ( 7.069 -17.624 -2.875) 19.205 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -4.412 -1.350 1.495) 4.850 1.171 ( 2.044 -0.051 -0.362) 2.076 1.449 ( -0.257 -0.634 -0.340) 0.764 2.631 ( -4.146 -1.722 0.224) 4.495 3.019 ( -19.901 0.985 0.404) 19.930 3.621 ( -3.731 -0.032 0.944) 3.849 3.993 ( 1.827 1.567 2.561) 3.514 4.078 ( -0.409 1.211 -1.796) 2.204 4.901 ( -3.858 -0.646 -0.021) 3.912 5.335 ( -2.035 0.128 0.164) 2.045 6.205 ( 6.379 17.385 1.275) 18.562 7.097 ( 7.867 -14.078 -1.977) 16.248 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -7.264 0.000 0.000) 7.264 1.228 ( 3.118 -0.000 -0.000) 3.118 1.446 ( -0.241 0.000 0.000) 0.241 2.545 ( -5.940 0.000 0.000) 5.940 2.677 ( -19.257 0.000 0.000) 19.257 3.513 ( -9.444 0.000 0.000) 9.444 4.027 ( -4.535 0.000 0.000) 4.535 4.058 ( 3.006 -0.000 -0.000) 3.006 4.810 ( -4.753 0.000 0.000) 4.753 5.283 ( -3.571 0.000 0.000) 3.571 6.484 ( 13.755 -0.000 -0.000) 13.755 7.165 ( 9.365 -0.000 -0.000) 9.365 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.000 2.264 0.396) 2.298 1.341 ( 0.000 3.692 1.121) 3.858 1.447 ( 0.000 2.835 -0.845) 2.959 2.211 ( 0.000 16.466 2.767) 16.697 2.506 ( 0.000 8.229 -2.394) 8.570 3.094 ( 0.000 26.837 -2.642) 26.967 3.722 ( -0.000 -0.015 -0.991) 0.991 4.210 ( 0.000 2.691 2.414) 3.615 4.738 ( -0.000 -3.326 0.619) 3.383 5.245 ( -0.000 -1.423 0.459) 1.495 6.412 ( -0.000 -23.875 -0.121) 23.875 7.676 ( -0.000 -3.339 -6.326) 7.153 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -0.127 1.919 -0.141) 1.928 1.330 ( -3.143 -0.748 0.793) 3.327 1.453 ( -1.289 2.876 -2.336) 3.923 2.409 ( 3.648 15.934 -0.271) 16.349 2.570 ( -0.979 8.694 -1.197) 8.830 3.347 ( 2.055 20.503 -2.654) 20.776 3.782 ( 5.688 1.095 -1.066) 5.890 4.204 ( -3.314 -0.050 2.617) 4.223 4.733 ( 1.371 0.156 1.225) 1.845 5.251 ( 1.917 -0.001 0.529) 1.989 6.246 ( 7.781 -24.294 0.709) 25.520 7.539 ( -10.099 -1.797 -5.662) 11.717 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 1.172 1.300 -0.177) 1.760 1.256 ( -3.766 -0.583 0.846) 3.903 1.456 ( -0.652 2.157 -0.813) 2.396 2.589 ( 1.712 9.135 -3.387) 9.892 2.712 ( 5.578 15.234 2.708) 16.447 3.547 ( 2.449 13.217 -0.817) 13.467 3.884 ( 5.490 0.099 -3.464) 6.492 4.117 ( -5.263 -3.104 1.003) 6.192 4.793 ( 2.574 3.286 0.582) 4.214 5.308 ( 2.339 2.233 1.040) 3.397 6.187 ( 11.476 -21.468 -0.529) 24.349 7.296 ( -14.439 -0.327 -2.965) 14.743 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.089 -2.080 0.022) 2.082 1.244 ( -0.087 4.594 2.995) 5.485 1.472 ( 0.643 1.143 1.241) 1.805 2.695 ( 2.013 7.602 1.869) 8.083 3.010 ( 9.275 16.618 -0.056) 19.031 3.674 ( 0.248 6.644 1.330) 6.780 3.951 ( 2.665 0.299 -4.037) 4.846 3.991 ( -3.057 -4.009 -2.684) 5.712 4.856 ( 1.052 2.222 -1.845) 3.074 5.350 ( -0.054 0.935 0.498) 1.061 6.202 ( 9.063 -11.360 -1.415) 14.601 7.061 ( -10.279 -1.838 0.526) 10.455 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -0.893 -1.241 0.712) 1.687 1.309 ( 0.110 4.841 2.448) 5.426 1.503 ( 1.508 -0.630 2.590) 3.062 2.810 ( 1.486 6.096 4.964) 8.001 3.341 ( 9.824 16.831 -0.375) 19.492 3.684 ( -3.487 1.327 1.427) 3.994 3.875 ( -3.931 0.023 -3.928) 5.558 4.026 ( 4.674 -1.196 -3.977) 6.253 4.853 ( -0.999 -0.737 -2.836) 3.095 5.332 ( -1.143 -1.538 -0.335) 1.945 6.244 ( -0.102 4.018 -0.560) 4.058 6.927 ( 0.151 -8.807 1.485) 8.933 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.670 -0.506 0.437) 0.947 1.345 ( -1.920 4.184 1.765) 4.930 1.507 ( 0.118 -2.927 0.972) 3.086 2.859 ( -2.497 1.998 3.285) 4.584 3.609 ( -2.823 10.040 1.337) 10.515 3.684 ( 5.986 8.264 0.805) 10.236 3.804 ( -3.708 -1.143 -1.796) 4.275 4.065 ( 2.942 -1.535 -3.186) 4.600 4.823 ( 0.763 -1.779 -1.541) 2.474 5.301 ( 0.093 -1.760 -0.393) 1.806 6.269 ( -7.697 14.631 0.610) 16.543 6.876 ( 7.048 -15.685 -0.322) 17.198 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.191 -0.176 0.051) 0.265 1.328 ( -4.497 2.097 1.201) 5.105 1.467 ( -0.707 -2.575 -0.830) 2.796 2.795 ( -5.378 -0.465 0.559) 5.427 3.580 ( -9.989 5.981 -0.190) 11.644 3.699 ( -3.866 -1.831 1.018) 4.397 3.870 ( 4.627 3.394 1.629) 5.966 4.098 ( 1.770 1.194 -1.633) 2.688 4.856 ( 4.381 -0.647 0.059) 4.429 5.308 ( 2.080 -0.508 -0.151) 2.147 6.276 ( -8.543 14.537 0.850) 16.883 6.848 ( 7.846 -14.541 -1.526) 16.593 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 1.915 -0.000 -0.000) 1.915 1.245 ( -5.858 0.000 0.000) 5.858 1.447 ( -0.203 0.000 0.000) 0.203 2.700 ( -4.998 0.000 0.000) 4.998 3.353 ( -17.727 0.000 0.000) 17.727 3.665 ( -1.398 0.000 0.000) 1.398 3.949 ( 3.366 -0.000 -0.000) 3.366 4.109 ( -1.118 0.000 0.000) 1.118 4.918 ( 1.845 -0.000 -0.000) 1.845 5.342 ( 1.315 -0.000 -0.000) 1.315 6.262 ( -2.062 0.000 0.000) 2.062 6.888 ( 6.971 -0.000 -0.000) 6.971 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -0.000 0.672 -1.568) 1.706 1.333 ( -0.000 -3.851 -1.724) 4.219 1.478 ( -0.000 1.251 -1.786) 2.181 2.523 ( 0.000 13.815 -0.829) 13.840 2.650 ( 0.000 7.509 -3.510) 8.289 3.520 ( 0.000 16.725 -1.811) 16.822 3.748 ( 0.000 2.440 1.830) 3.050 4.244 ( 0.000 -0.583 1.527) 1.635 4.743 ( 0.000 3.873 1.621) 4.198 5.214 ( -0.000 -1.715 -0.664) 1.839 5.951 ( -0.000 -22.475 2.420) 22.605 7.589 ( -0.000 -2.066 -5.362) 5.746 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 0.488 -0.058 -1.680) 1.750 1.271 ( -0.637 -4.065 -2.316) 4.722 1.477 ( -0.394 0.378 -0.589) 0.804 2.648 ( 0.668 9.258 -3.409) 9.888 2.749 ( 4.833 9.311 -0.943) 10.532 3.652 ( 0.185 11.038 0.365) 11.045 3.808 ( 2.649 1.759 0.945) 3.318 4.188 ( -4.847 -2.024 -0.115) 5.254 4.811 ( 0.791 6.418 0.904) 6.529 5.255 ( 5.626 0.441 -0.277) 5.650 5.804 ( 6.707 -20.440 1.802) 21.588 7.483 ( -8.306 -1.138 -3.684) 9.157 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 0.780 -1.737 -0.422) 1.951 1.258 ( 2.142 0.149 -0.103) 2.149 1.476 ( 0.151 0.053 0.752) 0.769 2.738 ( 1.951 7.100 -0.100) 7.363 2.978 ( 10.102 10.287 -1.313) 14.478 3.738 ( -0.182 4.055 1.569) 4.352 3.869 ( 2.886 2.056 -0.569) 3.589 4.065 ( -6.374 -1.589 -2.150) 6.912 4.876 ( -0.154 4.647 -1.554) 4.902 5.349 ( 2.010 1.099 0.418) 2.329 5.812 ( 15.719 -15.549 0.489) 22.115 7.285 ( -12.892 0.268 -1.188) 12.950 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.310 -1.394 0.569) 1.537 1.327 ( 3.266 2.530 1.094) 4.273 1.486 ( 0.583 -0.487 1.935) 2.079 2.853 ( 2.546 5.935 3.554) 7.371 3.280 ( 13.361 10.480 -1.030) 17.012 3.732 ( -1.085 -1.665 0.101) 1.990 3.937 ( -2.730 -0.340 -0.809) 2.868 3.948 ( -0.384 2.323 -3.373) 4.114 4.877 ( -2.340 1.196 -2.571) 3.676 5.338 ( -1.536 -1.912 0.028) 2.453 6.018 ( 19.037 -6.219 0.052) 20.027 7.056 ( -13.847 0.337 0.624) 13.866 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -0.339 -0.516 0.371) 0.720 1.401 ( 1.363 3.286 0.641) 3.615 1.483 ( -0.413 -2.165 1.453) 2.640 2.926 ( -0.864 2.540 2.876) 3.933 3.615 ( 12.255 9.414 1.899) 15.569 3.708 ( 0.009 0.381 -0.796) 0.883 3.850 ( -2.156 -0.784 -2.478) 3.377 3.972 ( 0.171 -1.782 -1.937) 2.637 4.823 ( -2.598 -0.634 -1.382) 3.010 5.293 ( -1.235 -1.499 -0.185) 1.950 6.298 ( 15.726 1.408 -0.029) 15.789 6.820 ( -12.789 -2.778 0.651) 13.103 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.516 0.000 0.000) 0.516 1.422 ( -3.881 0.000 0.000) 3.881 1.449 ( 0.708 -0.000 -0.000) 0.708 2.888 ( -4.805 0.000 0.000) 4.805 3.719 ( -2.446 0.000 0.000) 2.446 3.728 ( -0.068 0.000 0.000) 0.068 3.889 ( -3.812 0.000 0.000) 3.812 3.983 ( 10.708 -0.000 -0.000) 10.708 4.799 ( 0.994 -0.000 -0.000) 0.994 5.278 ( 0.598 -0.000 -0.000) 0.598 6.560 ( -13.366 0.000 0.000) 13.366 6.575 ( 13.187 -0.000 -0.000) 13.187 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -0.000 0.100 -1.778) 1.781 1.202 ( -0.000 -6.591 -4.447) 7.950 1.475 ( -0.000 -0.693 -0.431) 0.816 2.732 ( 0.000 8.344 -2.612) 8.743 2.747 ( -0.000 4.358 -3.562) 5.629 3.737 ( 0.000 6.114 1.808) 6.375 3.831 ( 0.000 3.907 3.168) 5.029 4.211 ( -0.000 -2.267 -1.433) 2.682 4.893 ( 0.000 8.958 1.176) 9.035 5.172 ( -0.000 -1.752 -1.159) 2.101 5.585 ( -0.000 -15.452 2.497) 15.653 7.529 ( -0.000 -1.449 -3.086) 3.409 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.127 -2.200 -1.275) 2.546 1.182 ( 4.214 -2.359 -2.360) 5.375 1.469 ( 0.344 -0.697 0.042) 0.778 2.767 ( 1.004 4.598 -1.345) 4.895 2.878 ( 8.073 4.520 -2.924) 9.704 3.776 ( -1.277 1.383 2.457) 3.095 3.886 ( 1.043 4.476 2.185) 5.089 4.142 ( -4.564 -1.533 -2.027) 5.224 4.948 ( -2.330 6.185 -0.871) 6.666 5.269 ( 9.687 1.211 -0.318) 9.768 5.483 ( 4.137 -12.664 1.860) 13.452 7.450 ( -6.809 -0.640 -1.600) 7.023 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 1.376 -1.069 0.165) 1.751 1.257 ( 5.845 0.024 -0.308) 5.853 1.476 ( 0.800 -0.242 0.476) 0.962 2.851 ( 3.621 3.245 0.999) 4.964 3.094 ( 13.929 2.959 -2.124) 14.397 3.741 ( -2.662 -1.285 0.889) 3.087 3.956 ( 1.390 3.326 0.933) 3.724 4.033 ( -6.107 -0.477 -1.432) 6.291 4.939 ( -3.341 2.338 -1.514) 4.350 5.343 ( -0.899 -1.469 0.369) 1.761 5.615 ( 19.956 -4.480 0.401) 20.457 7.287 ( -11.501 0.209 -0.242) 11.505 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 0.594 -0.000 -0.000) 0.594 1.356 ( 4.947 -0.000 -0.000) 4.947 1.485 ( 0.059 -0.000 -0.000) 0.059 2.930 ( 2.657 -0.000 -0.000) 2.657 3.389 ( 17.903 -0.000 -0.000) 17.903 3.693 ( -1.346 0.000 0.000) 1.346 3.921 ( -6.117 0.000 0.000) 6.117 3.986 ( -0.272 0.000 0.000) 0.272 4.879 ( -4.042 0.000 0.000) 4.042 5.310 ( -1.617 0.000 0.000) 1.617 5.959 ( 21.459 -0.000 -0.000) 21.459 7.064 ( -14.445 0.000 0.000) 14.445 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.000 -3.636 -2.371) 4.341 1.113 ( -0.000 -0.010 -0.751) 0.751 1.458 ( -0.000 -0.622 -0.052) 0.624 2.785 ( -0.000 1.275 -1.538) 1.998 2.828 ( 0.000 2.663 -1.292) 2.960 3.815 ( 0.000 1.159 2.083) 2.384 3.910 ( 0.000 1.987 1.514) 2.498 4.164 ( -0.000 -1.007 -1.632) 1.917 5.047 ( 0.000 4.892 -0.108) 4.893 5.139 ( -0.000 -0.822 -0.585) 1.009 5.383 ( -0.000 -5.936 1.367) 6.092 7.497 ( -0.000 -0.577 -0.949) 1.111 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 1.533 -0.000 -0.000) 1.533 1.157 ( 4.843 -0.000 -0.000) 4.843 1.460 ( 0.689 -0.000 -0.000) 0.689 2.811 ( 2.522 -0.000 -0.000) 2.522 2.909 ( 8.034 -0.000 -0.000) 8.034 3.792 ( -3.073 0.000 0.000) 3.073 3.944 ( 1.950 -0.000 -0.000) 1.950 4.119 ( -4.126 0.000 0.000) 4.126 5.012 ( -3.706 0.000 0.000) 3.706 5.290 ( 14.382 -0.000 -0.000) 14.382 5.350 ( -0.573 0.000 0.000) 0.573 7.439 ( -6.176 0.000 0.000) 6.176 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.197 ( 0.000 -0.000 22.079) 22.079 0.197 ( 0.000 -0.000 22.079) 22.079 0.327 ( 0.000 -0.000 37.002) 37.002 1.501 ( 0.000 0.000 -0.311) 0.311 1.501 ( 0.000 0.000 -0.311) 0.311 3.342 ( -0.000 0.000 -5.059) 5.059 3.859 ( -0.000 0.000 -0.916) 0.916 3.859 ( -0.000 0.000 -0.916) 0.916 5.062 ( 0.000 -0.000 0.943) 0.943 5.295 ( 0.000 -0.000 0.409) 0.409 5.295 ( 0.000 -0.000 0.409) 0.409 8.603 ( -0.000 0.000 -0.243) 0.243 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.227 ( 9.312 5.377 3.989) 11.469 0.244 ( 7.163 4.136 6.565) 10.560 0.902 ( 21.716 12.538 20.641) 32.479 1.518 ( 1.981 1.143 -0.718) 2.397 1.697 ( 12.969 7.488 -3.135) 15.300 2.415 ( -14.790 -8.539 22.048) 27.889 3.858 ( -0.240 -0.138 -0.260) 0.380 3.911 ( 3.644 2.104 1.860) 4.601 5.027 ( -2.110 -1.218 -0.593) 2.507 5.276 ( -1.234 -0.712 -0.287) 1.453 7.000 ( 38.996 22.514 -69.518) 82.827 8.209 ( -22.326 -12.890 19.818) 32.517 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 12.573 7.259 -9.302) 17.243 0.506 ( 13.601 7.853 -3.024) 15.994 1.278 ( 7.837 4.525 7.848) 11.978 1.596 ( 5.279 3.048 -0.688) 6.135 2.111 ( 22.190 12.811 3.849) 25.910 2.291 ( -1.732 -1.000 1.597) 2.559 3.848 ( -0.678 -0.391 0.296) 0.837 4.040 ( 6.679 3.856 4.849) 9.110 4.964 ( -3.219 -1.859 0.298) 3.729 5.242 ( -1.480 -0.854 -0.749) 1.866 7.377 ( 13.237 7.642 -32.236) 35.676 7.726 ( -24.808 -14.323 11.967) 31.045 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 11.922 6.883 -13.249) 19.106 0.789 ( 11.388 6.575 -3.412) 13.586 1.369 ( 0.291 0.168 0.201) 0.391 1.771 ( 10.504 6.064 -0.597) 12.144 2.297 ( 3.074 1.775 -3.914) 5.284 2.656 ( 22.652 13.078 1.619) 26.206 3.832 ( -0.812 -0.469 0.837) 1.257 4.225 ( 7.281 4.204 7.411) 11.208 4.892 ( -3.127 -1.805 1.737) 4.007 5.210 ( -0.967 -0.558 -0.919) 1.446 7.128 ( -28.702 -16.571 4.508) 33.448 7.533 ( 6.669 3.851 -15.656) 17.447 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 10.659 6.154 -13.270) 18.099 0.989 ( 6.953 4.014 -2.814) 8.507 1.333 ( -2.202 -1.272 -3.550) 4.367 2.066 ( 15.070 8.701 -1.102) 17.436 2.393 ( 6.088 3.515 -4.409) 8.298 3.122 ( 17.746 10.246 -1.831) 20.573 3.817 ( -0.740 -0.427 1.569) 1.787 4.376 ( 3.008 1.737 6.610) 7.467 4.847 ( -1.043 -0.602 3.236) 3.453 5.196 ( -0.040 -0.023 -0.895) 0.897 6.459 ( -29.628 -17.106 1.209) 34.233 7.622 ( 4.346 2.509 -7.919) 9.375 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 3.873 2.236 -2.083) 4.934 1.135 ( 6.876 3.970 -8.750) 11.816 1.296 ( 2.013 1.162 -4.406) 4.981 2.417 ( 15.305 8.836 -2.170) 17.805 2.534 ( 7.071 4.082 -3.876) 9.038 3.443 ( 10.972 6.334 -2.492) 12.912 3.807 ( -0.748 -0.432 2.515) 2.659 4.348 ( -7.464 -4.309 3.072) 9.149 4.873 ( 2.269 1.310 2.838) 3.863 5.202 ( 0.738 0.426 -0.849) 1.203 5.844 ( -22.877 -13.208 0.405) 26.419 7.691 ( 3.257 1.880 -3.378) 5.055 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.105 1.215 -1.496) 2.854 1.164 ( -0.425 -0.245 -3.104) 3.143 1.453 ( 9.939 5.738 -3.768) 12.080 2.688 ( 7.403 4.274 -3.275) 9.154 2.722 ( 11.571 6.680 -2.950) 13.682 3.614 ( 4.350 2.511 0.623) 5.061 3.795 ( -1.054 -0.609 3.213) 3.436 4.061 ( -16.258 -9.386 -0.720) 18.786 4.942 ( 2.892 1.670 0.776) 3.429 5.220 ( 0.933 0.539 -0.911) 1.411 5.470 ( -10.266 -5.927 1.597) 11.961 7.748 ( 2.219 1.281 -1.653) 3.049 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.062 0.036 -1.358) 1.360 1.193 ( 0.847 0.489 -1.046) 1.431 1.630 ( 5.001 2.887 -2.355) 6.236 2.844 ( 6.081 3.511 -2.292) 7.386 2.909 ( 5.133 2.964 -2.371) 6.384 3.597 ( -7.563 -4.367 5.423) 10.280 3.777 ( -1.306 -0.754 2.764) 3.149 3.797 ( -1.744 -1.007 -1.321) 2.408 4.996 ( 1.454 0.839 0.296) 1.705 5.234 ( 0.506 0.292 -1.030) 1.184 5.337 ( -2.902 -1.675 1.253) 3.578 7.777 ( 0.700 0.404 -2.088) 2.239 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 1.288 0.744 0.180) 1.498 1.197 ( -0.252 -0.145 -0.584) 0.652 1.638 ( -3.312 -1.912 -1.668) 4.173 2.873 ( -3.639 -2.101 0.650) 4.252 2.930 ( -3.106 -1.793 -0.196) 3.592 3.561 ( 4.160 2.402 1.461) 5.021 3.757 ( -0.701 -0.405 0.776) 1.121 3.859 ( 5.678 3.278 5.627) 8.640 5.000 ( -1.464 -0.845 0.744) 1.847 5.235 ( -0.141 -0.081 -0.908) 0.923 5.324 ( 1.911 1.103 -0.116) 2.210 7.768 ( -0.642 -0.371 -3.000) 3.090 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -1.368 -0.790 0.093) 1.582 1.210 ( 2.263 1.307 2.185) 3.406 1.518 ( -6.214 -3.588 2.533) 7.609 2.752 ( -6.532 -3.771 3.499) 8.315 2.769 ( -10.912 -6.300 1.975) 12.754 3.620 ( -1.302 -0.752 1.303) 1.989 3.752 ( 0.320 0.185 -1.303) 1.354 4.093 ( 11.515 6.648 2.955) 13.621 4.927 ( -4.747 -2.740 -1.033) 5.577 5.225 ( -0.497 -0.287 -0.318) 0.656 5.461 ( 11.140 6.432 0.719) 12.883 7.739 ( -0.918 -0.530 -2.584) 2.793 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -2.846 -1.643 1.241) 3.513 1.256 ( -0.369 -0.213 4.905) 4.923 1.408 ( -3.708 -2.141 6.738) 7.983 2.467 ( -15.592 -9.002 3.130) 18.274 2.610 ( -6.857 -3.959 4.353) 9.036 3.492 ( -10.700 -6.177 2.761) 12.660 3.762 ( 0.906 0.523 -2.311) 2.537 4.284 ( 4.059 2.343 -3.654) 5.943 4.811 ( -3.567 -2.059 -3.923) 5.688 5.215 ( -0.324 -0.187 0.579) 0.690 5.857 ( 22.515 12.999 1.781) 26.059 7.720 ( -0.286 -0.165 -0.326) 0.464 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -5.429 -3.135 3.369) 7.117 1.182 ( -7.350 -4.244 11.306) 14.137 1.396 ( -0.421 -0.243 3.406) 3.440 2.110 ( -15.734 -9.084 3.650) 18.531 2.470 ( -6.281 -3.626 3.942) 8.254 3.141 ( -20.221 -11.675 -0.001) 23.350 3.779 ( 1.201 0.693 -2.601) 2.947 4.259 ( -3.929 -2.268 -5.742) 7.318 4.784 ( 2.080 1.201 -3.476) 4.225 5.217 ( 0.266 0.154 1.381) 1.415 6.436 ( 26.670 15.398 -1.362) 30.826 7.726 ( 0.401 0.232 3.171) 3.205 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -9.453 -5.458 7.351) 13.160 1.013 ( -10.862 -6.271 15.774) 20.152 1.346 ( -4.958 -2.863 -2.149) 6.115 1.805 ( -11.345 -6.550 3.231) 13.493 2.354 ( -4.638 -2.678 2.610) 5.958 2.603 ( -25.146 -14.518 -4.238) 29.344 3.801 ( 1.365 0.788 -2.532) 2.983 4.126 ( -5.809 -3.354 -3.159) 7.414 4.856 ( 4.387 2.533 -1.974) 5.437 5.235 ( 0.896 0.517 1.776) 2.055 7.009 ( 23.686 13.675 -8.236) 28.564 7.758 ( 1.093 0.631 8.027) 8.126 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -12.501 -7.217 12.803) 19.295 0.780 ( -13.848 -7.995 17.891) 23.995 1.113 ( -15.254 -8.807 -8.596) 19.599 1.618 ( -5.924 -3.420 1.867) 7.090 2.048 ( -20.209 -11.667 -4.496) 23.764 2.277 ( -2.602 -1.502 2.734) 4.062 3.825 ( 1.327 0.766 -2.179) 2.664 3.995 ( -5.038 -2.909 -0.235) 5.822 4.953 ( 4.149 2.395 -0.792) 4.856 5.264 ( 1.090 0.629 1.666) 2.088 7.409 ( 13.641 7.876 -23.900) 28.624 7.846 ( 4.351 2.512 17.836) 18.530 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( 0.000 25.290 -8.463) 26.668 0.577 ( 0.000 13.037 17.592) 21.896 0.817 ( 0.000 17.068 26.909) 31.866 1.534 ( 0.000 3.406 0.456) 3.436 1.656 ( 0.000 12.693 -4.228) 13.379 2.492 ( 0.000 -20.370 21.300) 29.472 3.829 ( -0.000 -1.514 -2.275) 2.732 3.915 ( 0.000 3.755 1.831) 4.178 5.022 ( -0.000 -2.786 -0.910) 2.931 5.300 ( 0.000 -0.399 1.312) 1.371 6.738 ( -0.000 44.694 -62.303) 76.676 8.308 ( -0.000 -19.214 12.759) 23.065 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -11.509 14.208 16.941) 24.926 0.634 ( 0.544 24.934 -8.838) 26.460 1.197 ( 10.421 6.966 12.003) 17.355 1.589 ( 1.402 6.408 0.305) 6.566 1.939 ( 15.406 17.166 1.575) 23.119 2.343 ( -4.805 -4.487 5.644) 8.665 3.832 ( 1.907 -1.602 -1.424) 2.869 3.991 ( 3.704 4.155 3.599) 6.629 4.975 ( -1.331 -3.670 -0.477) 3.933 5.270 ( -2.489 -0.371 0.707) 2.614 7.076 ( 16.902 12.042 -36.847) 42.290 7.996 ( -17.702 -15.634 9.097) 25.309 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -0.043 10.743 9.639) 14.434 0.863 ( 2.140 20.376 -9.584) 22.619 1.348 ( 2.419 0.205 2.151) 3.243 1.723 ( 4.945 10.128 0.086) 11.271 2.283 ( -0.429 1.716 -2.447) 3.019 2.449 ( 19.719 18.099 1.727) 26.821 3.840 ( 0.327 -0.131 -0.548) 0.652 4.141 ( 7.596 2.542 6.528) 10.334 4.910 ( -1.740 -3.772 0.655) 4.205 5.228 ( -1.917 -0.291 0.299) 1.962 7.309 ( 13.817 -0.299 -19.789) 24.137 7.485 ( -26.715 -13.608 4.134) 30.265 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 6.649 6.716 0.635) 9.472 1.041 ( 1.515 14.372 -7.698) 16.374 1.338 ( -1.376 -2.032 -2.826) 3.742 1.965 ( 9.595 13.482 -0.343) 16.552 2.332 ( 3.718 4.317 -4.172) 7.061 2.939 ( 17.325 15.080 -1.290) 23.005 3.840 ( -0.748 1.077 0.086) 1.315 4.305 ( 6.994 -0.934 6.959) 9.910 4.856 ( -0.847 -2.715 2.051) 3.506 5.207 ( -0.812 0.848 0.197) 1.190 6.858 ( -31.458 -12.470 1.249) 33.863 7.451 ( 10.804 -3.750 -10.795) 15.727 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 8.205 3.827 -2.468) 9.384 1.159 ( 0.794 9.142 -5.232) 10.563 1.285 ( -0.661 -0.221 -4.228) 4.285 2.294 ( 12.068 14.560 -1.373) 18.961 2.453 ( 5.898 4.827 -3.255) 8.287 3.315 ( 12.323 10.359 -2.595) 16.307 3.838 ( -1.235 1.627 0.951) 2.253 4.355 ( 0.436 -6.850 3.873) 7.882 4.854 ( 1.617 -0.296 2.560) 3.042 5.219 ( -0.119 2.813 0.037) 2.816 6.211 ( -30.770 -8.308 -0.139) 31.873 7.553 ( 9.185 -5.235 -5.114) 11.744 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 5.152 1.096 -2.593) 5.871 1.186 ( -1.031 1.074 -1.590) 2.178 1.363 ( 6.221 7.462 -3.350) 10.276 2.598 ( 6.957 4.807 -2.846) 8.923 2.629 ( 10.222 13.437 -2.083) 17.012 3.549 ( 6.772 5.049 -0.544) 8.464 3.832 ( -1.655 1.247 1.552) 2.589 4.195 ( -9.503 -10.247 0.742) 13.995 4.902 ( 2.782 0.425 0.637) 2.886 5.254 ( -0.209 4.606 -0.249) 4.618 5.700 ( -21.582 -2.128 0.878) 21.705 7.633 ( 7.743 -5.736 -2.509) 9.957 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 1.332 -0.666 -2.621) 3.014 1.190 ( 0.314 1.512 -0.455) 1.610 1.546 ( 7.024 4.260 -1.559) 8.362 2.754 ( 6.900 3.724 -1.501) 7.984 2.888 ( 5.447 11.871 -2.898) 13.379 3.637 ( -0.147 -2.467 4.555) 5.183 3.806 ( -1.862 -0.692 -0.988) 2.218 3.919 ( -11.301 -1.337 1.509) 11.479 4.950 ( 2.906 -0.892 -0.406) 3.067 5.295 ( -0.834 5.301 -0.341) 5.378 5.437 ( -10.862 2.388 1.349) 11.203 7.684 ( 5.814 -6.343 -2.458) 8.949 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 1.606 -0.391 -1.408) 2.171 1.204 ( -0.302 1.042 -0.376) 1.148 1.627 ( 1.202 -1.717 -2.531) 3.286 2.855 ( 2.238 -1.440 -1.211) 2.923 3.010 ( -2.606 7.792 -1.224) 8.307 3.564 ( -1.511 -0.027 4.077) 4.348 3.812 ( 0.355 1.927 2.465) 3.149 3.841 ( -1.939 3.814 3.269) 5.384 4.980 ( 1.982 -1.880 0.432) 2.766 5.323 ( -0.136 1.026 0.325) 1.085 5.344 ( -6.792 9.050 -0.623) 11.332 7.690 ( 3.954 -7.314 -3.572) 9.049 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 2.662 0.056 -0.412) 2.695 1.196 ( -1.033 -0.062 0.872) 1.353 1.562 ( -3.189 -4.320 -1.109) 5.483 2.798 ( -3.319 -5.274 1.148) 6.336 2.938 ( -10.860 1.820 0.636) 11.030 3.612 ( 1.266 1.093 2.561) 3.059 3.814 ( -3.091 5.425 -0.400) 6.256 3.971 ( 9.151 3.598 5.590) 11.310 4.964 ( -2.207 -2.397 0.566) 3.307 5.295 ( -3.846 3.156 -0.275) 4.982 5.415 ( 3.433 11.335 -0.137) 11.844 7.662 ( 3.386 -8.218 -3.955) 9.729 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -2.350 -2.424 1.193) 3.581 1.236 ( 3.182 -0.207 2.495) 4.049 1.468 ( -3.289 -2.669 2.762) 5.057 2.678 ( -5.987 -5.468 3.227) 8.726 2.698 ( -15.618 -2.256 1.688) 15.871 3.585 ( -4.720 -3.077 2.074) 6.004 3.812 ( -3.314 5.378 -0.217) 6.321 4.169 ( 8.567 0.161 -0.344) 8.575 4.860 ( -5.729 -2.515 -2.408) 6.704 5.259 ( -3.291 2.073 0.090) 3.891 5.716 ( 13.641 18.994 1.956) 23.466 7.633 ( 4.371 -8.699 -2.637) 10.086 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -3.934 -6.996 4.353) 9.130 1.266 ( -0.626 -0.928 3.303) 3.488 1.425 ( -1.650 -0.025 4.241) 4.551 2.358 ( -18.765 -4.165 2.943) 19.446 2.550 ( -5.926 -3.969 2.964) 7.723 3.374 ( -15.757 -6.242 1.038) 16.981 3.809 ( -2.651 4.781 -0.902) 5.541 4.227 ( 1.680 -4.531 -4.285) 6.459 4.766 ( -1.209 -0.188 -3.207) 3.432 5.230 ( -1.515 0.488 0.802) 1.782 6.225 ( 19.886 22.261 0.794) 29.860 7.629 ( 5.837 -8.900 -0.229) 10.646 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -6.275 -12.739 8.491) 16.545 1.222 ( -5.632 0.829 4.731) 7.402 1.395 ( -3.442 -1.121 0.953) 3.743 2.018 ( -17.079 -2.930 3.035) 17.593 2.424 ( -5.608 -2.767 1.830) 6.515 2.936 ( -26.192 -7.398 -2.005) 27.290 3.812 ( -1.368 3.571 -1.636) 4.159 4.152 ( -2.660 -4.693 -2.669) 6.018 4.796 ( 3.843 1.514 -1.852) 4.527 5.224 ( 0.473 -0.452 1.302) 1.457 6.786 ( 20.244 20.145 -3.653) 28.793 7.654 ( 7.061 -9.122 2.347) 11.771 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -8.237 -16.586 12.483) 22.332 1.103 ( -11.720 0.132 2.084) 11.905 1.267 ( -9.729 -1.536 -0.351) 9.856 1.750 ( -12.025 -1.863 1.841) 12.307 2.321 ( -4.634 -1.757 0.153) 4.958 2.385 ( -27.718 -4.012 -1.409) 28.042 3.823 ( -0.145 2.291 -1.541) 2.765 4.052 ( -4.446 -2.184 0.556) 4.985 4.888 ( 5.074 1.441 -0.642) 5.314 5.242 ( 1.653 -0.726 1.188) 2.161 7.248 ( 13.978 15.863 -12.408) 24.515 7.710 ( 9.684 -9.868 6.274) 15.183 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 0.000 22.752 -9.502) 24.656 0.884 ( 0.000 8.975 10.344) 13.695 1.217 ( 0.000 9.814 15.543) 18.382 1.660 ( 0.000 8.841 2.655) 9.231 1.989 ( 0.000 22.641 -0.220) 22.642 2.361 ( 0.000 -2.978 3.920) 4.923 3.778 ( -0.000 -1.923 -2.859) 3.445 4.023 ( 0.000 5.344 3.099) 6.178 4.940 ( -0.000 -4.844 -0.548) 4.875 5.294 ( 0.000 -1.058 1.497) 1.833 6.934 ( -0.000 7.425 -27.142) 28.139 8.013 ( -0.000 -15.458 3.225) 15.791 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -8.929 10.901 10.400) 17.513 1.013 ( 0.495 17.792 -7.831) 19.445 1.337 ( 0.713 2.940 5.356) 6.152 1.784 ( 1.729 12.599 1.942) 12.864 2.310 ( 2.144 6.304 -0.520) 6.679 2.384 ( 8.663 19.770 -0.078) 21.585 3.791 ( 3.678 -1.298 -2.045) 4.403 4.102 ( 2.329 4.171 4.762) 6.746 4.884 ( -0.501 -5.141 0.210) 5.170 5.265 ( -2.100 -0.696 1.309) 2.570 6.998 ( 11.180 -5.055 -14.971) 19.357 7.740 ( -15.427 -11.326 -1.604) 19.206 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -5.346 10.520 9.156) 14.936 1.149 ( -0.103 13.193 -6.599) 14.751 1.337 ( -1.795 -0.836 -1.800) 2.675 1.987 ( 5.266 15.912 0.454) 16.767 2.335 ( 0.312 5.559 -3.240) 6.442 2.833 ( 14.313 20.293 -1.773) 24.896 3.840 ( 2.400 0.882 -1.896) 3.183 4.205 ( 4.812 -0.219 6.623) 8.189 4.833 ( -0.011 -4.164 1.259) 4.350 5.238 ( -1.252 0.740 1.485) 2.078 7.045 ( 4.822 -18.446 -2.778) 19.267 7.334 ( -16.323 -1.163 -8.503) 18.441 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.640 8.873 5.563) 10.492 1.226 ( -1.021 4.937 -2.250) 5.520 1.290 ( -0.991 2.914 -6.453) 7.149 2.274 ( 8.646 17.339 -1.356) 19.423 2.422 ( 3.232 6.744 -1.540) 7.636 3.224 ( 11.489 14.774 -2.961) 18.949 3.872 ( 0.058 2.450 -1.580) 2.915 4.263 ( 2.841 -6.439 4.383) 8.291 4.823 ( 1.753 -1.449 1.903) 2.966 5.250 ( 0.026 2.686 1.456) 3.055 6.637 ( -25.464 -10.210 -1.558) 27.479 7.286 ( 9.504 -7.221 -5.630) 13.197 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 1.367 6.104 2.928) 6.907 1.201 ( -0.940 -1.122 -0.473) 1.538 1.358 ( 2.554 8.063 -3.617) 9.199 2.538 ( 5.744 7.002 -2.708) 9.453 2.617 ( 8.506 16.921 0.078) 18.939 3.493 ( 7.068 8.720 -1.296) 11.299 3.879 ( -1.663 1.914 -0.602) 2.606 4.193 ( -2.118 -9.367 0.493) 9.616 4.862 ( 2.451 0.109 0.226) 2.464 5.290 ( 0.496 3.423 0.865) 3.565 6.121 ( -26.197 -0.699 -1.082) 26.228 7.372 ( 11.473 -10.337 -2.249) 15.606 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.160 1.364 -0.495) 1.460 1.202 ( 0.389 1.691 0.922) 1.964 1.490 ( 4.681 5.195 0.206) 6.996 2.691 ( 5.424 5.427 0.636) 7.699 2.924 ( 6.769 17.444 -2.465) 18.873 3.626 ( 1.682 1.569 2.791) 3.617 3.833 ( -3.268 -1.508 -1.995) 4.115 4.055 ( -5.388 -2.345 -0.423) 5.892 4.894 ( 2.055 -0.910 -1.547) 2.728 5.328 ( 0.261 1.824 0.335) 1.873 5.766 ( -18.933 8.117 0.582) 20.608 7.448 ( 10.246 -11.395 -1.805) 15.430 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.425 -0.135 -1.261) 1.338 1.226 ( -0.467 2.185 0.623) 2.319 1.578 ( 2.087 -0.463 -0.557) 2.209 2.807 ( 2.595 1.462 1.099) 3.175 3.147 ( -0.162 15.080 -1.800) 15.188 3.601 ( -2.020 -1.128 3.116) 3.881 3.803 ( 1.071 0.902 0.466) 1.476 3.977 ( -5.436 3.716 1.328) 6.717 4.916 ( 2.830 -1.804 -0.842) 3.460 5.333 ( -0.340 -0.268 0.311) 0.533 5.623 ( -11.850 14.025 0.294) 18.363 7.478 ( 7.844 -12.521 -3.015) 15.080 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 2.054 -0.205 -1.097) 2.338 1.227 ( -1.688 1.059 0.958) 2.211 1.551 ( -1.381 -3.999 -1.879) 4.629 2.794 ( -2.178 -3.785 0.590) 4.407 3.168 ( -9.873 7.913 -0.302) 12.657 3.629 ( 0.502 2.905 3.327) 4.446 3.884 ( 5.708 3.193 3.158) 7.262 3.940 ( -4.111 4.768 0.924) 6.362 4.948 ( 2.080 -1.523 0.813) 2.703 5.331 ( 0.166 0.459 0.086) 0.496 5.612 ( -7.159 17.239 -0.218) 18.667 7.455 ( 6.183 -13.927 -4.113) 15.784 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 2.482 0.115 -1.073) 2.707 1.192 ( -2.014 -1.901 3.003) 4.086 1.481 ( -1.456 -2.896 -0.487) 3.278 2.702 ( -3.437 -4.780 1.375) 6.046 2.987 ( -16.595 2.246 0.495) 16.753 3.634 ( -2.561 -0.457 3.035) 3.997 3.931 ( -3.230 5.853 0.066) 6.686 4.039 ( 6.990 1.250 1.114) 7.187 4.923 ( -3.753 -1.743 -0.359) 4.154 5.329 ( -2.022 0.753 0.383) 2.192 5.774 ( 4.166 22.632 1.018) 23.035 7.406 ( 6.636 -14.966 -3.777) 16.802 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -5.033 -4.676 3.506) 7.713 1.233 ( 3.301 -0.699 0.690) 3.444 1.451 ( -0.539 -0.547 1.210) 1.433 2.592 ( -5.598 -4.259 1.950) 7.299 2.682 ( -18.443 -0.511 0.524) 18.458 3.538 ( -8.391 -2.339 1.080) 8.777 3.935 ( -3.942 6.308 1.056) 7.513 4.121 ( 3.880 -3.594 -2.170) 5.716 4.813 ( -5.446 -0.731 -1.873) 5.805 5.283 ( -3.485 0.305 0.582) 3.546 6.175 ( 13.604 23.726 1.303) 27.381 7.377 ( 8.463 -14.757 -2.237) 17.158 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -7.543 -6.970 5.383) 11.595 1.263 ( 0.472 -0.462 0.475) 0.814 1.435 ( -1.663 -0.681 0.122) 1.801 2.316 ( -19.122 -1.752 1.221) 19.241 2.497 ( -5.663 -2.131 -0.223) 6.055 3.283 ( -19.035 -2.499 -1.016) 19.226 3.911 ( -5.242 4.186 -0.202) 6.711 4.115 ( 1.279 -3.241 -0.542) 3.526 4.764 ( 0.307 0.958 -0.778) 1.272 5.235 ( -2.018 -0.344 0.848) 2.216 6.657 ( 17.359 17.598 -0.772) 24.731 7.394 ( 9.532 -11.960 -1.193) 15.340 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -10.325 -5.658 5.859) 13.151 1.223 ( -5.276 -2.253 -1.771) 6.004 1.373 ( -3.746 -0.474 -1.549) 4.082 1.988 ( -17.063 -1.499 -0.255) 17.131 2.384 ( -5.129 -1.086 -1.745) 5.525 2.860 ( -27.238 0.999 -0.973) 27.273 3.861 ( -2.474 0.521 -0.501) 2.577 4.110 ( -2.040 1.956 3.283) 4.332 4.817 ( 4.119 0.966 0.446) 4.254 5.218 ( 0.265 -0.628 0.640) 0.935 7.080 ( 19.167 4.667 -1.050) 19.755 7.455 ( 7.706 -4.732 -4.118) 9.936 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 3.953 3.062) 5.000 1.146 ( 0.000 15.306 -6.148) 16.495 1.399 ( 0.000 3.089 5.459) 6.272 1.913 ( 0.000 14.233 3.629) 14.689 2.355 ( 0.000 6.269 -3.041) 6.967 2.536 ( 0.000 26.507 0.479) 26.512 3.730 ( -0.000 -1.179 -2.039) 2.355 4.147 ( 0.000 4.635 4.121) 6.202 4.835 ( -0.000 -5.504 0.677) 5.546 5.276 ( -0.000 -1.462 0.895) 1.714 6.784 ( -0.000 -11.763 -7.462) 13.930 7.760 ( -0.000 -8.604 -5.917) 10.442 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -2.415 4.148 2.572) 5.446 1.255 ( -0.643 10.287 -3.681) 10.945 1.390 ( -3.714 1.053 -0.531) 3.897 2.088 ( 2.261 16.132 1.536) 16.362 2.400 ( -0.875 7.212 -3.072) 7.888 2.868 ( 6.806 25.477 -1.980) 26.444 3.766 ( 4.821 0.017 -1.684) 5.106 4.197 ( -0.032 2.128 5.251) 5.665 4.789 ( 0.356 -4.482 1.489) 4.737 5.259 ( -0.380 -0.583 0.982) 1.204 6.697 ( 8.296 -19.489 -2.327) 21.309 7.564 ( -12.186 -3.626 -7.668) 14.847 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -1.372 5.129 2.924) 6.061 1.275 ( -3.534 -0.218 0.645) 3.599 1.353 ( -1.703 7.001 -6.164) 9.482 2.318 ( 5.400 16.350 -2.332) 17.376 2.472 ( 0.690 9.683 0.713) 9.734 3.212 ( 7.845 19.124 -3.276) 20.929 3.850 ( 4.211 1.541 -3.252) 5.539 4.202 ( -0.799 -3.691 4.902) 6.188 4.781 ( 1.847 -1.542 2.012) 3.137 5.272 ( 0.767 1.688 1.579) 2.436 6.621 ( 5.980 -22.252 -1.497) 23.090 7.287 ( -13.702 0.307 -5.731) 14.855 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.377 5.965 4.005) 7.194 1.204 ( -2.631 -1.799 0.122) 3.190 1.399 ( 0.415 6.570 -2.932) 7.206 2.526 ( 4.368 9.659 -3.446) 11.146 2.668 ( 6.149 17.098 2.836) 18.390 3.480 ( 5.848 12.426 -1.822) 13.853 3.908 ( 1.090 2.337 -3.278) 4.170 4.123 ( -1.556 -8.597 0.913) 8.784 4.823 ( 2.431 0.579 0.478) 2.544 5.314 ( 0.654 2.596 1.363) 3.005 6.419 ( -8.999 -10.812 -2.820) 14.347 7.135 ( 0.293 -5.349 -1.137) 5.476 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -2.392 -0.261 1.043) 2.622 1.221 ( 0.943 4.357 3.020) 5.384 1.479 ( 2.594 4.290 0.841) 5.083 2.680 ( 4.075 7.933 1.781) 9.095 2.976 ( 7.804 18.931 -0.735) 20.490 3.635 ( 1.659 5.256 1.385) 5.683 3.879 ( -4.522 -1.415 -2.399) 5.311 4.047 ( 1.796 -3.637 -3.302) 5.230 4.855 ( 1.134 -0.334 -1.974) 2.301 5.340 ( -0.195 0.850 0.427) 0.971 6.154 ( -15.486 4.048 -0.953) 16.035 7.142 ( 9.038 -11.638 0.024) 14.735 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -1.347 -0.293 0.417) 1.441 1.270 ( -0.771 3.869 1.997) 4.422 1.547 ( 1.589 -0.036 1.393) 2.113 2.810 ( 1.608 4.564 3.872) 6.198 3.281 ( 4.692 19.358 -1.317) 19.962 3.637 ( -2.748 -0.928 2.603) 3.897 3.806 ( -1.099 0.415 -2.305) 2.587 4.053 ( 0.009 1.073 -2.114) 2.371 4.854 ( 1.436 -1.819 -2.103) 3.129 5.331 ( -0.357 -1.129 -0.114) 1.189 5.992 ( -13.575 13.349 0.670) 19.050 7.178 ( 9.807 -14.598 -1.298) 17.634 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.023 -0.156 -0.152) 0.219 1.283 ( -2.246 2.758 1.737) 3.958 1.531 ( -1.100 -3.433 -0.633) 3.661 2.820 ( -3.170 -1.017 2.307) 4.050 3.415 ( -7.398 11.223 0.017) 13.442 3.664 ( 0.875 5.187 1.228) 5.401 3.825 ( 4.159 0.653 2.122) 4.715 4.045 ( -2.358 2.908 -1.465) 4.020 4.878 ( 3.874 -1.534 -0.386) 4.184 5.321 ( 0.729 -0.771 -0.279) 1.097 5.942 ( -10.457 17.411 0.673) 20.321 7.170 ( 7.865 -16.455 -2.835) 18.457 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.986 -0.109 -0.297) 2.011 1.250 ( -4.168 0.170 1.987) 4.621 1.471 ( -1.078 -2.665 -0.909) 3.015 2.733 ( -4.437 -2.815 1.621) 5.499 3.298 ( -15.121 5.044 -0.267) 15.942 3.677 ( -1.634 -0.110 2.737) 3.190 3.946 ( 5.045 0.892 2.433) 5.672 4.040 ( -1.956 5.549 -2.708) 6.477 4.928 ( 1.898 -0.947 0.222) 2.133 5.339 ( 1.161 0.291 -0.052) 1.198 5.997 ( -4.059 20.136 0.881) 20.560 7.116 ( 6.838 -16.938 -3.118) 18.531 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -3.907 -2.709 2.600) 5.419 1.167 ( 1.954 0.321 -0.516) 2.046 1.449 ( 0.054 -0.486 0.228) 0.540 2.638 ( -4.156 -2.209 1.349) 4.896 3.020 ( -19.738 0.803 -0.173) 19.755 3.632 ( -4.070 -1.021 1.436) 4.435 4.010 ( 2.607 0.016 1.317) 2.921 4.057 ( -1.172 2.653 -2.914) 4.111 4.897 ( -4.221 -0.433 -0.821) 4.321 5.337 ( -1.937 -0.047 0.332) 1.966 6.214 ( 6.413 16.799 0.687) 17.995 7.081 ( 8.027 -12.731 -1.750) 15.152 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -7.032 -2.270 2.284) 7.735 1.225 ( 3.152 -0.153 -0.681) 3.229 1.443 ( -0.652 -0.688 -0.574) 1.108 2.547 ( -5.805 -0.795 0.606) 5.890 2.671 ( -19.731 -0.483 -1.288) 19.779 3.511 ( -9.828 -0.473 -0.399) 9.848 4.004 ( -3.194 -3.223 -3.711) 5.862 4.077 ( 2.314 3.737 2.760) 5.190 4.811 ( -4.528 0.957 0.234) 4.634 5.285 ( -3.493 -0.272 0.559) 3.548 6.479 ( 13.777 -0.972 -1.131) 13.857 7.162 ( 8.963 1.168 -0.571) 9.056 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -8.762 0.992 0.689) 8.845 1.251 ( -0.338 -0.929 -0.999) 1.406 1.395 ( -2.223 -1.879 -4.364) 5.245 2.295 ( -19.751 -0.250 -1.131) 19.785 2.470 ( -6.047 0.510 -2.938) 6.742 3.272 ( -18.526 2.260 -2.060) 18.777 3.896 ( -3.327 -3.485 -1.248) 4.977 4.174 ( 1.440 5.857 5.128) 7.916 4.788 ( 0.228 1.122 1.853) 2.178 5.232 ( -2.233 -0.401 0.469) 2.317 6.658 ( 19.464 -17.577 -0.621) 26.234 7.372 ( 6.745 11.800 -3.518) 14.040 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 1.396 -0.729) 1.575 1.339 ( 0.000 5.899 -1.494) 6.085 1.427 ( -0.000 0.476 -3.653) 3.684 2.228 ( 0.000 15.448 1.029) 15.482 2.473 ( 0.000 8.446 -4.819) 9.725 3.073 ( 0.000 26.097 -2.213) 26.190 3.719 ( 0.000 0.810 0.251) 0.848 4.242 ( 0.000 2.016 4.617) 5.038 4.750 ( -0.000 -3.222 2.165) 3.882 5.247 ( -0.000 -1.744 -0.113) 1.748 6.414 ( -0.000 -22.297 0.567) 22.304 7.612 ( -0.000 -2.622 -7.804) 8.233 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.460 1.166 -1.193) 1.731 1.329 ( -2.734 -2.084 -1.114) 3.614 1.423 ( -1.105 4.842 -4.407) 6.640 2.397 ( 2.252 14.467 -2.289) 14.819 2.556 ( 1.365 9.660 -1.965) 9.952 3.322 ( 2.068 21.141 -2.849) 21.432 3.775 ( 4.149 1.566 -0.408) 4.453 4.234 ( -3.239 -1.504 3.895) 5.285 4.751 ( 1.285 0.039 2.643) 2.939 5.254 ( 2.519 -0.293 0.187) 2.543 6.252 ( 6.934 -23.644 0.486) 24.644 7.488 ( -9.496 -0.633 -5.727) 11.107 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 1.910 0.615 -0.452) 2.056 1.260 ( -2.380 -0.591 -0.055) 2.453 1.445 ( -0.315 3.850 -1.726) 4.230 2.555 ( 2.841 10.862 -4.023) 11.926 2.733 ( 5.836 13.651 1.877) 14.964 3.536 ( 2.765 14.796 -1.588) 15.135 3.856 ( 4.149 0.710 -2.607) 4.951 4.126 ( -5.785 -5.152 1.168) 7.834 4.801 ( 1.839 2.260 1.171) 3.140 5.316 ( 2.612 1.923 0.813) 3.344 6.180 ( 10.473 -20.861 -1.216) 23.374 7.274 ( -13.167 0.599 -1.938) 13.323 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.213 -1.860 0.557) 1.953 1.267 ( 0.801 3.851 2.146) 4.481 1.483 ( 1.250 2.310 1.087) 2.842 2.707 ( 3.749 9.461 0.827) 10.211 3.011 ( 8.828 15.699 0.277) 18.013 3.683 ( 0.789 7.809 0.663) 7.877 3.919 ( 3.256 0.587 -3.171) 4.583 3.966 ( -5.090 -5.495 -2.938) 8.046 4.841 ( 0.383 1.307 -1.651) 2.140 5.353 ( -0.282 0.560 0.342) 0.714 6.189 ( 8.730 -10.429 -1.686) 13.705 7.070 ( -9.347 -1.596 1.275) 9.568 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.911 -1.290 0.737) 1.743 1.328 ( 0.178 4.226 1.976) 4.669 1.525 ( 1.338 -0.558 2.366) 2.775 2.852 ( 1.853 6.488 4.514) 8.118 3.339 ( 9.972 17.521 -0.174) 20.161 3.699 ( -3.614 0.264 1.922) 4.102 3.839 ( -3.443 0.394 -4.131) 5.392 3.991 ( 4.755 -0.902 -3.862) 6.192 4.829 ( -0.870 -0.688 -2.525) 2.758 5.329 ( -1.267 -1.670 -0.248) 2.110 6.240 ( 0.524 4.246 -0.366) 4.293 6.939 ( -0.576 -8.648 1.196) 8.749 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.816 -0.607 0.438) 1.107 1.361 ( -1.787 3.881 1.907) 4.679 1.514 ( -0.771 -3.465 0.547) 3.592 2.888 ( -3.353 0.912 3.326) 4.810 3.621 ( -3.265 10.064 1.542) 10.692 3.693 ( 6.037 9.617 0.961) 11.396 3.789 ( -1.921 -1.436 -1.321) 2.738 4.034 ( 3.488 -1.797 -3.547) 5.290 4.810 ( 1.331 -1.300 -1.328) 2.286 5.297 ( 0.084 -1.693 -0.335) 1.728 6.276 ( -7.360 14.583 0.796) 16.355 6.871 ( 6.042 -15.493 -0.862) 16.652 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.098 -0.213 0.189) 0.301 1.342 ( -4.653 1.268 1.848) 5.164 1.461 ( -0.766 -2.260 -0.428) 2.424 2.807 ( -5.620 -1.317 2.002) 6.110 3.580 ( -10.642 5.722 0.167) 12.084 3.707 ( -2.806 -2.236 0.746) 3.664 3.882 ( 4.412 2.474 1.023) 5.161 4.079 ( 2.186 2.348 -2.651) 4.162 4.855 ( 4.674 -0.592 -0.307) 4.721 5.306 ( 2.112 -0.349 -0.333) 2.167 6.283 ( -8.583 14.257 0.835) 16.662 6.835 ( 7.550 -13.633 -1.394) 15.646 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 1.853 -0.034 0.147) 1.859 1.250 ( -5.727 -1.037 1.209) 5.945 1.451 ( -0.197 0.618 0.929) 1.133 2.709 ( -5.065 -0.592 1.818) 5.413 3.352 ( -17.859 0.211 -0.214) 17.861 3.665 ( -1.251 -1.469 0.177) 1.937 3.945 ( 3.261 -1.328 -1.084) 3.684 4.103 ( -1.118 1.549 -1.348) 2.338 4.913 ( 1.766 -0.233 -1.102) 2.095 5.341 ( 1.366 -0.001 -0.202) 1.381 6.260 ( -2.164 -1.101 -0.412) 2.462 6.892 ( 7.013 2.050 0.756) 7.346 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -3.632 -0.390 -0.223) 3.660 1.174 ( 0.775 0.397 0.453) 0.982 1.454 ( -0.936 0.649 0.774) 1.377 2.634 ( -4.574 1.110 0.878) 4.788 3.012 ( -20.246 -1.170 -1.064) 20.308 3.616 ( -3.478 -0.823 -0.253) 3.583 3.966 ( 1.385 -2.633 -3.343) 4.475 4.088 ( 0.319 0.052 0.464) 0.566 4.897 ( -3.119 0.858 -0.793) 3.331 5.334 ( -1.910 -0.293 -0.004) 1.933 6.192 ( 6.100 -17.464 -1.592) 18.567 7.114 ( 7.422 14.867 1.841) 16.719 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -6.354 2.840 -1.360) 7.092 1.217 ( 2.575 -0.186 -1.106) 2.808 1.416 ( -3.482 -0.821 -2.708) 4.487 2.566 ( -6.213 2.536 -1.018) 6.788 2.651 ( -19.807 -0.065 -2.745) 19.996 3.517 ( -8.673 1.565 -1.295) 8.908 3.901 ( -2.606 -4.413 -1.962) 5.488 4.167 ( 6.133 2.703 2.411) 7.123 4.846 ( -3.764 1.776 1.562) 4.446 5.280 ( -3.500 -0.597 0.251) 3.559 6.147 ( 13.924 -23.872 -1.712) 27.689 7.395 ( 6.177 15.538 -0.214) 16.723 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -0.000 0.503 -1.901) 1.966 1.305 ( -0.000 -5.024 -4.618) 6.823 1.459 ( -0.000 2.819 -2.539) 3.794 2.510 ( 0.000 12.968 -1.973) 13.117 2.611 ( 0.000 7.895 -5.128) 9.414 3.499 ( 0.000 17.953 -2.687) 18.153 3.767 ( 0.000 3.143 2.543) 4.043 4.261 ( 0.000 -2.408 2.269) 3.309 4.765 ( 0.000 3.617 3.256) 4.866 5.207 ( -0.000 -1.952 -0.832) 2.122 5.968 ( -0.000 -22.059 1.386) 22.103 7.545 ( -0.000 -0.971 -4.397) 4.503 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.828 0.003 -1.422) 1.645 1.242 ( 0.769 -4.120 -4.023) 5.809 1.471 ( -0.130 1.318 -0.788) 1.541 2.617 ( 0.597 9.857 -3.572) 10.501 2.734 ( 6.309 8.747 -2.501) 11.071 3.649 ( 0.494 12.761 -1.051) 12.814 3.820 ( 1.215 2.583 1.710) 3.327 4.185 ( -5.043 -3.846 -0.497) 6.362 4.824 ( -0.011 5.291 1.910) 5.625 5.253 ( 6.175 0.321 -0.287) 6.190 5.815 ( 6.008 -19.948 0.554) 20.841 7.458 ( -7.739 -0.349 -1.854) 7.965 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 1.330 -1.532 0.233) 2.042 1.252 ( 3.521 0.155 -1.148) 3.707 1.484 ( 0.694 0.483 1.068) 1.362 2.735 ( 3.428 8.543 -0.611) 9.226 2.963 ( 10.694 9.150 -2.173) 14.241 3.748 ( -0.166 4.667 0.590) 4.707 3.867 ( 1.451 3.077 -0.034) 3.402 4.042 ( -6.730 -2.183 -2.873) 7.636 4.864 ( -0.911 3.677 -1.122) 3.951 5.351 ( 2.085 1.041 0.114) 2.333 5.814 ( 15.160 -14.925 -0.157) 21.274 7.283 ( -12.145 0.451 0.738) 12.176 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.379 -1.524 0.531) 1.658 1.332 ( 3.724 2.087 0.062) 4.270 1.506 ( 0.960 -0.846 2.423) 2.740 2.879 ( 3.637 5.776 2.359) 7.222 3.270 ( 14.385 10.569 -1.174) 17.889 3.731 ( -1.385 -2.810 -0.294) 3.146 3.905 ( -4.291 1.431 -5.086) 6.807 3.944 ( -0.130 2.931 1.146) 3.150 4.855 ( -2.428 1.474 -2.342) 3.681 5.338 ( -1.708 -1.839 -0.081) 2.511 6.017 ( 18.805 -5.820 -0.203) 19.686 7.067 ( -13.530 -0.125 1.826) 13.653 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.348 -0.782 0.246) 0.891 1.403 ( 1.800 2.598 -0.049) 3.161 1.496 ( -0.883 -3.007 1.381) 3.425 2.945 ( -0.813 0.589 1.305) 1.647 3.633 ( 13.710 10.042 2.054) 17.118 3.699 ( 0.885 -0.587 -1.101) 1.529 3.828 ( -2.698 0.636 -2.557) 3.771 3.961 ( -1.152 -0.424 -0.501) 1.326 4.811 ( -2.352 0.369 -1.296) 2.711 5.292 ( -1.300 -1.358 -0.035) 1.880 6.297 ( 15.745 1.484 -0.221) 15.817 6.827 ( -13.068 -3.342 1.061) 13.530 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.480 -0.247 -0.001) 0.540 1.423 ( -3.776 -2.618 0.017) 4.595 1.449 ( 0.874 1.311 -0.013) 1.575 2.888 ( -4.329 -1.659 0.027) 4.636 3.717 ( -2.315 -3.505 -0.376) 4.217 3.730 ( 0.082 2.897 0.406) 2.926 3.887 ( -3.604 -3.690 -0.456) 5.178 3.986 ( 9.741 5.609 0.423) 11.248 4.799 ( 0.974 0.718 -0.036) 1.211 5.278 ( 0.537 0.200 0.017) 0.573 6.559 ( -11.652 -8.298 -0.175) 14.306 6.576 ( 11.475 8.160 0.170) 14.082 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.325 0.100 0.089) 0.351 1.321 ( -4.114 -2.850 -0.328) 5.016 1.476 ( -0.280 2.589 1.116) 2.833 2.797 ( -4.664 -0.508 0.849) 4.767 3.584 ( -9.326 -6.299 0.520) 11.266 3.690 ( -5.167 1.462 -1.018) 5.465 3.854 ( 4.581 -3.953 -1.905) 6.343 4.107 ( 1.207 0.070 0.352) 1.259 4.853 ( 3.755 0.824 -0.513) 3.878 5.308 ( 1.965 0.685 -0.066) 2.082 6.269 ( -8.556 -14.626 -0.632) 16.956 6.861 ( 8.341 15.032 1.351) 17.244 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 1.561 0.416 -0.199) 1.628 1.234 ( -3.850 -0.925 0.211) 3.965 1.496 ( -1.183 2.873 1.880) 3.631 2.731 ( -4.240 1.863 1.401) 4.838 3.301 ( -15.947 -5.071 -0.109) 16.734 3.632 ( -1.289 -1.394 -1.974) 2.739 3.890 ( 3.658 -2.444 -3.571) 5.666 4.073 ( -1.296 -4.460 0.868) 4.725 4.910 ( 1.731 0.903 -1.672) 2.570 5.338 ( 0.817 -0.192 -0.226) 0.869 5.986 ( -4.270 -19.418 -0.339) 19.885 7.165 ( 7.296 17.820 2.146) 19.374 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.147 1.456 -2.578) 3.175 1.186 ( -0.567 0.316 0.851) 1.071 1.487 ( -3.999 2.554 0.206) 4.749 2.687 ( -4.892 3.764 -0.274) 6.178 2.966 ( -17.850 -2.374 -1.927) 18.110 3.602 ( -1.230 -0.254 -0.316) 1.295 3.887 ( -0.679 -3.006 -3.679) 4.799 4.048 ( 5.833 -4.790 1.103) 7.628 4.917 ( -1.670 1.655 -0.930) 2.529 5.325 ( -1.960 -0.669 -0.035) 2.071 5.763 ( 3.040 -21.595 -0.214) 21.809 7.453 ( 5.675 15.488 1.295) 16.546 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.000 0.348 -1.325) 1.370 1.158 ( -0.000 -5.907 -5.229) 7.889 1.475 ( -0.000 -0.274 0.132) 0.304 2.710 ( 0.000 8.510 -2.501) 8.870 2.714 ( 0.000 5.186 -3.785) 6.420 3.747 ( 0.000 7.999 0.333) 8.006 3.857 ( 0.000 3.710 2.613) 4.538 4.189 ( -0.000 -3.527 -3.375) 4.882 4.908 ( 0.000 7.803 1.985) 8.052 5.164 ( -0.000 -1.738 -0.661) 1.859 5.601 ( -0.000 -15.153 0.948) 15.182 7.513 ( -0.000 -0.911 -0.543) 1.061 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.725 -2.134 -0.797) 2.391 1.162 ( 4.727 -1.134 -2.097) 5.294 1.475 ( 0.545 -0.718 1.132) 1.447 2.756 ( 1.832 5.555 -1.144) 5.960 2.853 ( 7.892 4.988 -2.603) 9.692 3.792 ( -1.494 1.686 1.368) 2.636 3.901 ( 0.569 4.145 0.999) 4.301 4.111 ( -4.156 -1.117 -4.780) 6.432 4.942 ( -3.096 5.385 -0.507) 6.232 5.268 ( 9.862 1.280 0.038) 9.945 5.496 ( 3.902 -12.412 0.861) 13.040 7.448 ( -6.541 -0.510 1.144) 6.660 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 1.546 -1.196 0.101) 1.957 1.253 ( 6.103 0.424 -0.701) 6.158 1.486 ( 1.027 -0.888 1.876) 2.316 2.856 ( 4.134 2.835 0.126) 5.014 3.080 ( 14.127 4.349 -0.933) 14.811 3.743 ( -3.126 -1.852 -0.321) 3.647 3.955 ( 0.440 3.287 -1.620) 3.691 4.018 ( -4.923 0.777 -1.548) 5.218 4.925 ( -3.518 3.167 -1.526) 4.973 5.346 ( -0.948 -1.454 0.161) 1.743 5.618 ( 19.715 -4.714 0.433) 20.276 7.294 ( -11.402 -0.169 2.001) 11.577 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.596 -0.298 -0.134) 0.680 1.350 ( 4.891 0.004 -1.199) 5.036 1.490 ( -0.137 -1.414 0.981) 1.726 2.922 ( 2.530 -1.751 -1.797) 3.563 3.392 ( 17.560 0.512 0.768) 17.584 3.692 ( -0.944 0.907 -0.307) 1.345 3.912 ( -5.376 1.629 -1.822) 5.905 3.992 ( -0.489 -0.161 1.275) 1.375 4.878 ( -4.004 1.607 -0.247) 4.322 5.311 ( -1.588 -0.092 0.157) 1.598 5.959 ( 21.396 -0.138 -0.143) 21.397 7.070 ( -14.681 -0.734 1.394) 14.765 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.305 0.256 -0.418) 0.577 1.392 ( 1.397 -3.746 -1.333) 4.215 1.471 ( -0.339 1.052 -1.188) 1.623 2.896 ( -0.459 -4.155 -3.806) 5.653 3.601 ( 11.334 -8.612 -1.445) 14.308 3.713 ( -0.931 -1.443 0.356) 1.753 3.870 ( -1.731 2.104 1.936) 3.342 3.994 ( 1.227 2.946 2.963) 4.355 4.835 ( -2.778 1.811 1.190) 3.523 5.295 ( -1.186 1.591 0.340) 2.014 6.297 ( 15.815 -1.216 -0.167) 15.862 6.816 ( -12.972 1.983 -0.127) 13.123 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.468 0.438 -0.353) 0.732 1.331 ( -1.704 -4.517 -1.302) 5.001 1.497 ( 1.026 2.253 -1.215) 2.758 2.831 ( -1.123 -3.015 -2.845) 4.295 3.598 ( -2.184 -10.364 -1.089) 10.648 3.680 ( 5.268 -6.729 -0.099) 8.546 3.820 ( -4.919 1.302 1.934) 5.443 4.089 ( 2.014 1.326 2.279) 3.317 4.836 ( 0.118 2.397 1.391) 2.774 5.304 ( 0.006 1.863 0.376) 1.901 6.265 ( -8.022 -14.683 -0.239) 16.734 6.876 ( 7.937 15.607 -0.309) 17.512 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.466 0.712 0.120) 0.860 1.263 ( -1.699 -2.573 -0.447) 3.116 1.537 ( 0.878 2.797 0.084) 2.933 2.795 ( -0.831 0.125 -0.474) 0.965 3.413 ( -6.577 -10.885 -0.057) 12.717 3.647 ( -1.710 -4.717 -0.415) 5.035 3.801 ( 1.134 0.124 -0.472) 1.234 4.063 ( -2.734 -4.506 0.418) 5.287 4.884 ( 1.944 2.227 0.130) 2.959 5.324 ( 0.484 0.664 0.075) 0.825 5.934 ( -10.032 -17.192 -0.195) 19.906 7.202 ( 9.333 16.822 0.671) 19.249 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.054 0.928 -0.635) 1.541 1.218 ( -1.605 -0.710 0.078) 1.757 1.575 ( -1.047 3.929 0.829) 4.149 2.793 ( -2.182 3.638 0.437) 4.264 3.167 ( -10.845 -7.699 -0.481) 13.309 3.584 ( -0.015 -2.417 -1.169) 2.685 3.824 ( 2.819 -1.949 -2.694) 4.359 3.952 ( -2.271 -7.708 1.380) 8.153 4.932 ( 1.115 2.134 -0.942) 2.585 5.330 ( 0.133 -0.509 0.041) 0.528 5.617 ( -6.672 -16.779 0.348) 18.060 7.499 ( 6.682 14.106 0.736) 15.626 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.000 -1.890 -0.907) 2.096 1.110 ( 0.000 0.401 0.155) 0.430 1.464 ( 0.000 -0.885 1.512) 1.752 2.775 ( 0.000 2.456 -0.760) 2.570 2.820 ( 0.000 3.558 -0.540) 3.599 3.826 ( 0.000 0.073 0.303) 0.311 3.918 ( 0.000 1.056 0.194) 1.074 4.130 ( -0.000 1.216 -5.889) 6.013 5.044 ( 0.000 4.545 -0.497) 4.572 5.139 ( -0.000 -0.589 0.426) 0.727 5.392 ( -0.000 -6.419 0.686) 6.455 7.502 ( 0.000 -0.584 2.200) 2.277 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.238 0.623 0.589) 1.505 1.160 ( 4.655 0.765 0.821) 4.789 1.469 ( 0.674 -0.559 1.818) 2.018 2.812 ( 2.248 0.297 0.116) 2.271 2.914 ( 8.175 1.554 1.290) 8.421 3.783 ( -3.007 -1.172 -2.029) 3.812 3.939 ( 1.972 -0.870 -1.284) 2.509 4.103 ( -3.720 2.470 -3.522) 5.687 5.010 ( -3.707 1.151 -0.442) 3.907 5.292 ( 14.227 0.211 0.464) 14.236 5.350 ( -0.468 -1.454 -0.092) 1.530 7.452 ( -6.297 -0.233 2.913) 6.942 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.051 1.095 0.059) 1.518 1.258 ( 5.038 0.247 -0.281) 5.051 1.478 ( 0.376 -0.692 1.006) 1.278 2.840 ( 2.611 -3.376 -1.474) 4.515 3.116 ( 13.584 -2.410 2.533) 14.027 3.729 ( -1.810 1.318 -1.806) 2.877 3.944 ( 1.502 -3.257 -1.777) 4.003 4.038 ( -5.249 1.841 -0.389) 5.576 4.951 ( -3.166 -1.129 1.067) 3.527 5.340 ( -0.742 1.261 -0.434) 1.526 5.612 ( 20.045 4.019 -0.278) 20.446 7.299 ( -12.002 -0.657 2.446) 12.266 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 0.128 1.387 -0.388) 1.446 1.313 ( 2.847 -2.863 -2.007) 4.508 1.472 ( -0.067 -0.221 -1.137) 1.160 2.819 ( 1.403 -5.880 -4.054) 7.279 3.287 ( 12.556 -10.585 0.707) 16.438 3.728 ( -0.907 0.406 -0.831) 1.295 3.946 ( 0.316 1.567 1.465) 2.168 3.976 ( -1.341 -0.800 2.527) 2.971 4.898 ( -2.244 -0.642 2.275) 3.259 5.338 ( -1.235 1.852 -0.045) 2.226 6.016 ( 19.285 6.530 -0.352) 20.363 7.057 ( -14.667 -0.960 0.724) 14.716 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -0.897 1.299 -0.545) 1.670 1.286 ( 0.420 -5.331 -2.533) 5.917 1.481 ( 1.411 0.583 -2.349) 2.801 2.767 ( 1.440 -5.616 -4.538) 7.363 3.345 ( 9.642 -16.150 0.457) 18.815 3.674 ( -2.903 -1.912 -0.903) 3.592 3.906 ( -3.990 0.572 3.197) 5.145 4.059 ( 4.079 1.010 3.485) 5.460 4.878 ( -1.099 0.899 2.654) 3.010 5.335 ( -0.961 1.408 0.377) 1.746 6.249 ( -0.463 -3.621 0.692) 3.716 6.914 ( 0.235 8.594 -1.547) 8.735 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.511 0.988 0.230) 1.136 1.240 ( 0.437 -3.724 -1.205) 3.938 1.514 ( 2.789 0.326 -2.079) 3.493 2.749 ( 3.059 -3.218 -2.648) 5.169 3.298 ( 4.047 -17.179 0.540) 17.657 3.620 ( -1.457 -1.348 0.694) 2.103 3.859 ( -3.574 0.998 3.492) 5.096 4.076 ( -2.323 -2.596 0.285) 3.495 4.893 ( 0.342 1.866 2.099) 2.829 5.335 ( -0.468 0.681 0.313) 0.884 5.985 ( -14.251 -13.331 -0.082) 19.514 7.180 ( 11.434 15.256 -1.084) 19.096 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 4.793 3.065) 5.689 1.123 ( 0.000 0.329 1.505) 1.541 1.466 ( 0.000 0.080 1.970) 1.972 2.802 ( 0.000 -0.355 2.136) 2.165 2.842 ( 0.000 -1.893 1.923) 2.698 3.789 ( -0.000 -1.759 -3.928) 4.303 3.891 ( -0.000 -2.753 -2.657) 3.826 4.159 ( -0.000 3.448 -2.662) 4.356 5.046 ( -0.000 -4.641 -0.355) 4.654 5.149 ( 0.000 0.930 1.488) 1.755 5.369 ( 0.000 4.889 -1.680) 5.170 7.519 ( 0.000 0.447 3.892) 3.918 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -0.798 2.338 1.815) 3.066 1.200 ( 3.254 2.871 1.637) 4.638 1.475 ( 0.030 0.120 1.503) 1.508 2.780 ( -0.000 -3.778 1.432) 4.040 2.903 ( 8.020 -4.713 2.652) 9.673 3.750 ( -0.744 -0.867 -3.415) 3.601 3.864 ( 1.593 -4.381 -2.691) 5.383 4.145 ( -4.348 2.800 -1.185) 5.305 4.956 ( -1.639 -6.476 0.986) 6.753 5.273 ( 9.094 -1.250 0.626) 9.201 5.464 ( 4.687 12.438 -2.380) 13.503 7.475 ( -7.250 0.552 4.000) 8.299 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.140 2.043 1.056) 2.304 1.253 ( 0.908 -0.365 -1.099) 1.472 1.472 ( -0.497 -0.275 -0.166) 0.592 2.736 ( 0.241 -5.937 -0.613) 5.974 2.986 ( 9.763 -11.523 0.555) 15.113 3.720 ( -0.047 -3.951 -2.559) 4.707 3.879 ( 4.515 -0.352 1.745) 4.853 4.077 ( -5.672 1.804 0.426) 5.967 4.890 ( 0.398 -5.326 1.726) 5.613 5.344 ( 1.884 -1.155 -0.617) 2.294 5.806 ( 16.407 15.890 -1.014) 22.862 7.303 ( -13.885 -0.333 2.870) 14.182 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -0.545 2.437 0.469) 2.540 1.216 ( -0.565 -5.230 -3.446) 6.288 1.462 ( 0.145 -0.425 -1.123) 1.209 2.675 ( 0.751 -6.195 -2.420) 6.693 3.012 ( 9.865 -16.901 0.439) 19.575 3.661 ( 0.187 -5.668 -1.654) 5.908 3.988 ( 1.009 -0.168 4.091) 4.217 4.011 ( -0.430 3.146 1.742) 3.622 4.872 ( 1.572 -3.078 1.782) 3.888 5.345 ( 0.273 -1.274 -0.539) 1.410 6.213 ( 9.733 12.369 0.835) 15.761 7.061 ( -11.764 1.728 0.353) 11.896 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.731 -2.472 -0.629) 2.654 1.181 ( 1.089 -1.017 -1.200) 1.913 1.462 ( 1.452 -1.464 -0.979) 2.283 2.646 ( 3.121 -4.503 -1.707) 5.739 3.001 ( 9.039 -18.617 1.542) 20.753 3.617 ( 0.568 -3.715 -0.494) 3.790 3.935 ( -3.533 -0.376 3.605) 5.062 4.086 ( 0.591 1.499 0.933) 1.862 4.887 ( 1.974 -1.364 1.462) 2.810 5.335 ( 0.411 -1.595 -0.145) 1.653 6.178 ( -17.585 -3.693 1.616) 18.041 7.129 ( 9.612 13.406 -1.403) 16.556 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 -0.078 1.917) 1.919 1.233 ( 0.000 6.491 2.434) 6.932 1.484 ( 0.000 0.379 1.728) 1.769 2.755 ( -0.000 -8.582 2.336) 8.894 2.775 ( -0.000 -4.064 2.642) 4.847 3.716 ( -0.000 -4.326 -2.886) 5.200 3.802 ( -0.000 -3.676 -3.230) 4.894 4.212 ( 0.000 2.628 -1.098) 2.848 4.888 ( -0.000 -9.604 0.035) 9.604 5.184 ( 0.000 1.521 1.457) 2.106 5.558 ( 0.000 15.470 -3.476) 15.856 7.565 ( 0.000 1.595 4.956) 5.206 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.300 -0.248 1.506) 1.555 1.282 ( -1.616 3.748 0.207) 4.087 1.483 ( -0.845 -0.291 0.729) 1.153 2.676 ( 0.885 -8.915 2.709) 9.360 2.750 ( 3.245 -10.209 -0.852) 10.746 3.643 ( -0.088 -9.197 -1.597) 9.335 3.804 ( 4.373 -0.816 -0.082) 4.449 4.186 ( -4.612 1.543 -0.610) 4.901 4.809 ( 1.246 -7.290 0.490) 7.412 5.257 ( 4.958 -0.718 0.206) 5.014 5.785 ( 7.572 20.952 -2.597) 22.429 7.521 ( -8.878 1.432 4.732) 10.161 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.221 -3.040 -1.123) 3.248 1.247 ( -4.112 1.212 -1.019) 4.406 1.460 ( -0.855 -1.062 0.121) 1.369 2.610 ( -0.421 -6.822 1.211) 6.941 2.691 ( 7.134 -17.087 -1.777) 18.602 3.550 ( 2.197 -11.342 -0.058) 11.553 3.914 ( 6.700 0.244 3.148) 7.407 4.109 ( -5.058 1.504 -0.626) 5.314 4.791 ( 2.879 -4.217 0.335) 5.117 5.298 ( 2.128 -2.519 -1.072) 3.467 6.189 ( 12.463 22.233 -0.176) 25.489 7.324 ( -15.639 0.756 3.369) 16.016 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.073 -7.498 -3.940) 8.470 1.217 ( -1.867 2.614 1.058) 3.382 1.436 ( -0.314 -2.293 1.236) 2.624 2.553 ( 1.614 -5.565 -0.426) 5.810 2.657 ( 9.402 -18.580 1.515) 20.878 3.506 ( 4.688 -9.859 0.913) 10.955 3.970 ( -0.869 -3.811 3.808) 5.457 4.099 ( 1.465 5.179 -2.094) 5.775 4.814 ( 3.367 -2.533 -0.433) 4.235 5.292 ( 1.198 -3.088 -1.014) 3.464 6.465 ( -8.455 11.085 2.077) 14.095 7.155 ( -2.061 7.867 0.996) 8.193 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 -1.102 1.007) 1.492 1.336 ( 0.000 2.826 -0.811) 2.940 1.489 ( -0.000 -0.929 0.591) 1.101 2.524 ( -0.000 -15.009 -0.538) 15.018 2.670 ( -0.000 -7.388 1.021) 7.458 3.530 ( -0.000 -15.133 0.492) 15.141 3.736 ( -0.000 -1.452 -0.745) 1.632 4.236 ( -0.000 -0.081 -0.381) 0.389 4.738 ( -0.000 -4.205 0.451) 4.229 5.218 ( 0.000 1.282 0.387) 1.339 5.927 ( 0.000 23.282 -2.945) 23.468 7.636 ( 0.000 2.463 5.262) 5.810 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -1.117 -3.207 -1.257) 3.621 1.317 ( -3.052 -0.025 -2.152) 3.734 1.464 ( -1.009 -2.020 0.057) 2.258 2.402 ( 4.582 -17.213 -1.637) 17.888 2.576 ( -1.808 -7.762 0.098) 7.970 3.367 ( 2.098 -19.262 1.781) 19.458 3.792 ( 6.599 -0.741 1.122) 6.734 4.190 ( -3.741 -0.946 -0.419) 3.881 4.730 ( 1.227 -0.407 0.520) 1.394 5.245 ( 1.444 -0.362 -0.770) 1.676 6.240 ( 8.534 25.462 -0.797) 26.866 7.585 ( -10.523 2.193 4.535) 11.666 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -3.404 -9.053 -6.210) 11.494 1.267 ( -1.584 0.214 -0.353) 1.636 1.426 ( -0.731 -2.966 2.032) 3.669 2.326 ( 7.292 -18.048 -0.938) 19.488 2.488 ( 0.098 -6.385 1.562) 6.574 3.267 ( 7.517 -18.366 2.460) 19.996 3.901 ( 5.503 -2.578 1.965) 6.387 4.125 ( -1.650 0.995 -2.795) 3.395 4.761 ( 1.402 1.188 -0.160) 1.844 5.245 ( 0.543 -1.908 -1.338) 2.392 6.647 ( 6.701 23.035 1.283) 24.024 7.373 ( -15.155 2.162 3.463) 15.695 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -0.000 -3.435 -1.570) 3.777 1.318 ( -0.000 -3.571 -4.105) 5.440 1.444 ( -0.000 -3.538 -1.502) 3.844 2.181 ( -0.000 -17.395 -3.903) 17.827 2.514 ( -0.000 -7.929 -0.439) 7.941 3.117 ( -0.000 -26.490 2.415) 26.600 3.735 ( 0.000 0.737 1.983) 2.116 4.201 ( -0.000 -3.428 0.433) 3.455 4.740 ( 0.000 3.200 1.102) 3.384 5.239 ( -0.000 1.033 -0.951) 1.404 6.416 ( 0.000 26.028 0.724) 26.038 7.721 ( 0.000 3.276 3.698) 4.940 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -6.838 -9.399 -7.667) 13.924 1.256 ( 0.443 -4.422 -2.955) 5.337 1.398 ( 0.255 -4.749 0.119) 4.757 2.045 ( 4.758 -16.469 -2.976) 17.399 2.432 ( -0.499 -6.629 0.047) 6.648 2.914 ( 7.275 -26.932 2.794) 28.037 3.797 ( 4.655 0.419 1.738) 4.987 4.142 ( -1.877 -3.577 -0.446) 4.064 4.783 ( -0.120 4.495 0.900) 4.585 5.237 ( -0.824 0.279 -1.438) 1.681 6.753 ( 7.937 24.961 3.705) 26.454 7.656 ( -12.010 2.896 1.886) 12.497 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 -8.501 -6.727) 10.840 1.134 ( -0.000 -10.755 -10.695) 15.168 1.330 ( -0.000 -8.032 0.895) 8.082 1.838 ( -0.000 -13.724 -4.203) 14.353 2.372 ( -0.000 -5.669 -1.335) 5.824 2.566 ( -0.000 -29.731 3.905) 29.987 3.776 ( 0.000 1.661 2.884) 3.328 4.111 ( -0.000 -5.684 0.343) 5.695 4.841 ( 0.000 5.544 1.346) 5.705 5.251 ( -0.000 1.115 -1.766) 2.088 6.933 ( 0.000 22.821 8.808) 24.462 7.803 ( 0.000 4.325 -2.188) 4.847 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -0.000 -0.000 20.993) 20.993 0.387 ( 0.000 -0.000 20.993) 20.993 0.651 ( 0.000 -0.000 36.540) 36.540 1.497 ( 0.000 0.000 -0.654) 0.654 1.497 ( 0.000 0.000 -0.654) 0.654 3.276 ( -0.000 0.000 -9.852) 9.852 3.847 ( -0.000 0.000 -1.694) 1.694 3.847 ( -0.000 0.000 -1.694) 1.694 5.074 ( 0.000 -0.000 1.658) 1.658 5.300 ( 0.000 -0.000 0.745) 0.745 5.300 ( -0.000 -0.000 0.745) 0.745 8.600 ( -0.000 0.000 -0.444) 0.444 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 1.295 0.748 16.579) 16.646 0.394 ( -3.426 -1.978 22.850) 23.190 1.077 ( 16.042 9.262 18.723) 26.337 1.512 ( 2.017 1.164 -0.796) 2.461 1.685 ( 15.176 8.762 0.463) 17.529 2.572 ( -22.884 -13.212 12.338) 29.162 3.852 ( 0.087 0.050 -1.174) 1.178 3.929 ( 4.920 2.840 2.052) 6.040 5.021 ( -2.014 -1.163 -0.718) 2.434 5.276 ( -1.500 -0.866 0.254) 1.751 6.477 ( 48.342 27.910 -48.132) 73.706 8.324 ( -20.301 -11.721 7.987) 24.765 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 5.675 3.277 6.592) 9.295 0.518 ( 10.565 6.100 5.723) 13.475 1.335 ( 4.561 2.633 5.034) 7.286 1.592 ( 5.418 3.128 -0.142) 6.258 2.149 ( 22.614 13.056 4.144) 26.439 2.295 ( -5.694 -3.287 -0.628) 6.605 3.845 ( -0.359 -0.207 -0.750) 0.857 4.089 ( 7.793 4.499 5.911) 10.766 4.965 ( -2.720 -1.570 -0.124) 3.143 5.238 ( -1.671 -0.965 -0.039) 1.930 7.092 ( 20.601 11.894 -31.569) 39.528 7.813 ( -26.012 -15.018 7.898) 31.057 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 9.055 5.228 -5.556) 11.840 0.777 ( 10.295 5.944 0.593) 11.902 1.365 ( -1.489 -0.860 -1.165) 2.077 1.771 ( 10.407 6.008 0.672) 12.036 2.259 ( 2.643 1.526 -4.721) 5.622 2.666 ( 21.274 12.283 0.866) 24.581 3.834 ( -0.424 -0.245 -0.220) 0.536 4.292 ( 7.425 4.287 7.407) 11.331 4.904 ( -2.471 -1.427 1.088) 3.054 5.205 ( -1.097 -0.633 -0.195) 1.282 7.144 ( -25.849 -14.924 -1.958) 29.912 7.406 ( 6.729 3.885 -11.479) 13.861 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 10.488 6.055 -9.737) 15.540 0.970 ( 6.722 3.881 -1.478) 7.901 1.303 ( -2.532 -1.462 -3.130) 4.284 2.063 ( 14.500 8.372 0.361) 16.747 2.356 ( 6.328 3.653 -3.872) 8.269 3.104 ( 17.029 9.832 -2.028) 19.767 3.827 ( -0.232 -0.134 0.699) 0.749 4.428 ( 1.951 1.126 5.115) 5.589 4.871 ( -0.574 -0.331 2.314) 2.407 5.190 ( -0.146 -0.084 -0.392) 0.427 6.469 ( -30.066 -17.359 0.897) 34.729 7.549 ( 6.598 3.809 -8.275) 11.248 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 9.013 5.204 -7.700) 12.946 1.084 ( 3.974 2.294 -1.964) 4.991 1.269 ( 1.650 0.953 -1.785) 2.611 2.402 ( 14.624 8.443 -1.125) 16.924 2.503 ( 7.186 4.149 -3.020) 8.831 3.424 ( 11.478 6.627 -1.807) 13.376 3.827 ( -0.222 -0.128 2.015) 2.031 4.370 ( -8.591 -4.960 1.727) 10.070 4.893 ( 1.739 1.004 1.776) 2.681 5.195 ( 0.632 0.365 -0.778) 1.067 5.853 ( -22.621 -13.060 1.555) 26.167 7.656 ( 4.462 2.576 -4.497) 6.838 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.646 0.373 -3.756) 3.829 1.148 ( 2.288 1.321 -1.908) 3.259 1.427 ( 10.112 5.838 -1.794) 11.813 2.663 ( 7.533 4.349 -2.473) 9.043 2.698 ( 11.267 6.505 -2.551) 13.258 3.624 ( 6.267 3.618 1.655) 7.423 3.824 ( -0.807 -0.466 3.292) 3.421 4.059 ( -17.119 -9.884 0.076) 19.768 4.949 ( 2.537 1.465 0.715) 3.015 5.210 ( 0.849 0.490 -1.350) 1.669 5.488 ( -10.236 -5.910 2.418) 12.065 7.725 ( 2.508 1.448 -3.534) 4.569 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.704 0.407 -2.083) 2.236 1.181 ( 1.068 0.617 -1.695) 2.096 1.604 ( 4.766 2.751 -3.419) 6.478 2.824 ( 6.321 3.650 -2.347) 7.667 2.885 ( 5.581 3.222 -2.845) 7.044 3.656 ( -8.834 -5.100 7.729) 12.798 3.795 ( 1.533 0.885 1.032) 2.049 3.806 ( -1.742 -1.006 3.697) 4.209 5.001 ( 1.544 0.891 0.762) 1.939 5.222 ( 0.546 0.315 -1.824) 1.930 5.349 ( -3.441 -1.987 1.619) 4.291 7.748 ( 0.576 0.332 -4.374) 4.424 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.097 1.211 -0.446) 2.462 1.189 ( 0.044 0.025 -1.321) 1.322 1.615 ( -2.177 -1.257 -3.689) 4.463 2.873 ( -1.952 -1.127 -0.681) 2.354 2.922 ( -2.034 -1.174 -1.502) 2.788 3.588 ( 1.925 1.111 4.504) 5.023 3.772 ( -1.787 -1.032 2.464) 3.214 3.916 ( 6.657 3.843 7.304) 10.603 5.008 ( -1.617 -0.934 1.143) 2.189 5.224 ( 0.128 0.074 -1.726) 1.732 5.326 ( 1.616 0.933 0.432) 1.916 7.732 ( -0.484 -0.279 -5.124) 5.154 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.935 -0.540 -0.658) 1.264 1.227 ( 3.158 1.823 1.808) 4.070 1.531 ( -3.896 -2.249 0.247) 4.505 2.779 ( -5.670 -3.273 2.466) 6.996 2.781 ( -9.992 -5.769 0.765) 11.563 3.636 ( -0.840 -0.485 2.267) 2.466 3.747 ( -0.611 -0.353 0.211) 0.736 4.123 ( 8.529 4.924 3.926) 10.602 4.916 ( -6.076 -3.508 -1.304) 7.136 5.220 ( -0.049 -0.029 -0.893) 0.895 5.473 ( 11.867 6.851 2.010) 13.849 7.708 ( -0.113 -0.065 -4.378) 4.380 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -2.157 -1.245 0.497) 2.540 1.294 ( 1.065 0.615 3.693) 3.892 1.459 ( -2.789 -1.610 4.449) 5.493 2.493 ( -15.046 -8.687 2.764) 17.592 2.645 ( -6.705 -3.871 3.444) 8.474 3.514 ( -11.054 -6.382 2.108) 12.937 3.744 ( 0.438 0.253 -1.561) 1.641 4.256 ( 2.124 1.226 -2.657) 3.616 4.777 ( -3.904 -2.254 -3.534) 5.728 5.219 ( 0.121 0.070 0.288) 0.320 5.876 ( 21.873 12.628 2.548) 25.385 7.708 ( 0.992 0.573 -2.413) 2.671 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -4.183 -2.415 2.643) 5.506 1.266 ( -4.780 -2.760 7.739) 9.505 1.424 ( -2.167 -1.251 2.862) 3.802 2.145 ( -15.589 -9.000 4.189) 18.482 2.500 ( -6.577 -3.797 2.667) 8.049 3.135 ( -21.766 -12.567 -1.399) 25.173 3.756 ( 1.053 0.608 -2.535) 2.811 4.218 ( -3.589 -2.072 -3.389) 5.354 4.756 ( 2.493 1.439 -2.577) 3.864 5.229 ( 0.554 0.320 1.277) 1.428 6.424 ( 24.627 14.218 -1.150) 28.460 7.739 ( 2.013 1.162 -0.328) 2.347 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 11.615 6.973) 13.547 0.724 ( 0.000 10.772 15.488) 18.866 1.053 ( 0.000 12.304 25.957) 28.726 1.537 ( 0.000 4.180 0.215) 4.186 1.634 ( 0.000 13.287 -0.687) 13.304 2.630 ( -0.000 -25.162 9.578) 26.924 3.807 ( -0.000 -1.771 -2.590) 3.137 3.931 ( 0.000 4.729 1.639) 5.005 5.014 ( -0.000 -2.905 -0.860) 3.030 5.312 ( 0.000 -0.217 1.256) 1.275 6.289 ( -0.000 49.619 -39.932) 63.692 8.378 ( -0.000 -17.795 4.571) 18.373 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 1.942 18.658 -1.873) 18.852 0.716 ( -12.039 12.320 17.602) 24.628 1.291 ( 5.264 4.230 9.231) 11.437 1.592 ( 1.004 7.207 0.370) 7.287 1.965 ( 16.878 17.281 4.178) 24.514 2.376 ( -8.059 -7.838 1.410) 11.330 3.817 ( 2.626 -1.835 -1.951) 3.751 4.027 ( 4.884 4.706 4.235) 7.996 4.970 ( -1.035 -3.426 -0.571) 3.624 5.277 ( -2.950 -0.060 0.912) 3.088 6.773 ( 19.921 20.349 -31.384) 42.378 8.054 ( -16.935 -17.784 4.603) 24.985 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -4.642 11.888 8.602) 15.390 0.806 ( 1.787 16.872 -1.346) 17.020 1.361 ( 0.219 -1.085 0.709) 1.315 1.728 ( 4.788 10.265 0.976) 11.369 2.253 ( -1.815 1.371 -4.414) 4.965 2.465 ( 19.046 16.534 2.046) 25.304 3.831 ( 0.881 -0.339 -1.478) 1.754 4.201 ( 8.336 2.674 6.792) 11.080 4.914 ( -1.272 -3.414 0.349) 3.660 5.233 ( -2.295 0.127 0.822) 2.442 7.128 ( 15.357 6.419 -20.409) 26.336 7.520 ( -25.404 -17.439 3.527) 31.015 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 1.265 9.755 2.695) 10.199 0.983 ( 2.244 12.862 -4.828) 13.921 1.313 ( -2.100 -2.617 -2.700) 4.307 1.968 ( 9.320 12.965 1.056) 16.002 2.297 ( 3.850 4.898 -3.682) 7.237 2.926 ( 16.658 14.071 -1.567) 21.862 3.837 ( -0.027 0.846 -0.840) 1.192 4.362 ( 6.308 -1.528 5.659) 8.611 4.871 ( -0.313 -2.410 1.478) 2.845 5.212 ( -1.258 1.323 0.756) 1.976 6.862 ( -31.463 -12.832 -0.445) 33.982 7.359 ( 12.857 -2.032 -9.630) 16.192 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 5.688 6.899 0.286) 8.946 1.113 ( 1.531 10.067 -4.962) 11.328 1.258 ( -0.377 -1.023 -2.098) 2.364 2.286 ( 11.538 13.537 -0.438) 17.793 2.429 ( 5.899 5.727 -2.032) 8.469 3.293 ( 12.567 10.408 -2.212) 16.467 3.844 ( -0.374 1.372 0.332) 1.460 4.383 ( -0.555 -7.684 2.229) 8.020 4.872 ( 1.479 -0.694 1.467) 2.196 5.220 ( -0.630 3.229 0.351) 3.308 6.211 ( -30.172 -8.935 0.335) 31.469 7.506 ( 10.299 -3.832 -5.421) 12.254 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 3.611 2.001 -1.136) 4.282 1.170 ( -0.783 2.886 -2.085) 3.646 1.344 ( 6.924 7.638 -0.880) 10.347 2.574 ( 7.929 6.336 -2.566) 10.469 2.617 ( 8.604 12.169 -0.689) 14.920 3.547 ( 8.021 6.098 0.232) 10.079 3.847 ( -1.021 0.454 1.623) 1.971 4.199 ( -9.898 -10.750 0.053) 14.612 4.905 ( 2.564 -0.427 -0.005) 2.599 5.252 ( -0.661 5.042 -0.245) 5.091 5.712 ( -20.836 -2.569 1.779) 21.069 7.605 ( 7.947 -5.021 -3.750) 10.121 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 1.257 -0.165 -2.390) 2.706 1.184 ( 0.013 2.260 -0.973) 2.461 1.532 ( 6.082 4.652 -1.387) 7.781 2.743 ( 6.459 4.650 -0.974) 8.018 2.862 ( 5.415 11.891 -2.780) 13.358 3.685 ( 1.946 -1.527 6.361) 6.825 3.800 ( -2.589 -3.022 -0.241) 3.987 3.936 ( -9.635 -0.136 2.181) 9.879 4.947 ( 3.318 -1.408 -0.327) 3.619 5.291 ( -1.291 6.175 -0.538) 6.331 5.450 ( -10.894 1.448 1.617) 11.108 7.654 ( 5.457 -6.081 -4.295) 9.231 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 2.098 -0.170 -2.031) 2.925 1.199 ( -0.403 1.763 -0.686) 1.934 1.599 ( 0.656 -1.101 -3.733) 3.947 2.843 ( 2.067 -0.510 -1.489) 2.598 2.996 ( -1.896 8.641 -2.034) 9.078 3.608 ( -1.790 -1.529 5.815) 6.273 3.838 ( -1.041 1.792 3.266) 3.868 3.879 ( 1.082 3.468 5.418) 6.523 4.984 ( 2.571 -1.858 0.654) 3.239 5.324 ( -0.919 5.054 -0.263) 5.144 5.339 ( -6.695 4.993 -0.223) 8.355 7.650 ( 3.681 -7.108 -5.403) 9.657 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 2.598 -0.079 -1.514) 3.008 1.205 ( 0.118 1.065 0.897) 1.397 1.546 ( -1.869 -3.315 -2.434) 4.517 2.804 ( -2.280 -4.594 0.168) 5.132 2.941 ( -10.147 2.315 -0.132) 10.409 3.642 ( 0.529 1.133 3.911) 4.106 3.813 ( -3.357 4.128 0.439) 5.339 4.024 ( 7.918 2.005 6.325) 10.331 4.968 ( -3.075 -2.770 0.268) 4.147 5.292 ( -4.282 3.969 -0.506) 5.861 5.417 ( 4.571 11.265 0.618) 12.172 7.621 ( 3.715 -7.792 -5.398) 10.181 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -1.570 -1.169 -0.034) 1.958 1.258 ( 3.652 -0.378 2.378) 4.374 1.485 ( -1.426 -2.390 1.050) 2.975 2.699 ( -5.435 -4.388 0.807) 7.032 2.713 ( -14.736 -3.425 2.368) 15.313 3.604 ( -5.210 -3.439 2.399) 6.687 3.810 ( -3.412 5.699 -0.379) 6.653 4.171 ( 6.247 -1.346 0.594) 6.418 4.838 ( -6.789 -2.667 -2.405) 7.680 5.259 ( -3.155 2.513 0.006) 4.034 5.736 ( 14.018 18.685 2.579) 23.500 7.603 ( 5.237 -8.105 -4.046) 10.463 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -3.012 -4.709 2.891) 6.293 1.294 ( 0.653 -2.171 2.940) 3.713 1.454 ( -1.347 -1.066 2.215) 2.803 2.383 ( -18.153 -4.503 2.673) 18.893 2.570 ( -5.617 -4.799 1.467) 7.532 3.377 ( -16.594 -6.994 -0.406) 18.013 3.801 ( -3.560 5.433 -0.900) 6.557 4.198 ( 1.059 -4.328 -2.202) 4.970 4.742 ( -1.118 0.394 -2.127) 2.435 5.238 ( -1.230 0.655 0.866) 1.641 6.233 ( 18.756 21.312 0.817) 28.401 7.617 ( 6.894 -8.383 -2.591) 11.158 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 0.000 21.490 -6.112) 22.343 0.962 ( 0.000 6.165 7.389) 9.623 1.340 ( 0.000 5.548 11.842) 13.078 1.682 ( 0.000 9.886 2.235) 10.135 2.008 ( 0.000 22.289 4.572) 22.753 2.377 ( -0.000 -5.635 -0.579) 5.665 3.754 ( -0.000 -1.855 -2.441) 3.066 4.054 ( 0.000 5.788 3.932) 6.997 4.937 ( -0.000 -4.426 -0.267) 4.434 5.305 ( 0.000 -1.103 1.013) 1.498 6.712 ( -0.000 16.161 -22.820) 27.963 8.027 ( -0.000 -18.433 0.212) 18.434 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -2.036 17.009 -4.802) 17.791 0.990 ( -3.625 8.647 4.679) 10.479 1.380 ( -2.307 1.152 4.080) 4.827 1.801 ( 0.939 12.974 1.956) 13.154 2.299 ( -1.173 1.610 -2.486) 3.186 2.387 ( 10.534 21.927 1.263) 24.359 3.773 ( 3.810 -1.233 -2.059) 4.502 4.149 ( 3.280 4.311 5.786) 7.926 4.888 ( -0.356 -4.646 0.572) 4.695 5.276 ( -1.969 -0.658 1.032) 2.318 6.871 ( 11.758 2.514 -13.517) 18.091 7.719 ( -14.977 -15.162 -2.959) 21.517 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -4.782 9.376 4.597) 11.485 1.089 ( -0.323 13.692 -5.885) 14.906 1.325 ( -3.349 -1.979 -1.068) 4.034 1.994 ( 4.800 15.292 1.135) 16.068 2.309 ( 0.380 6.490 -2.683) 7.033 2.819 ( 13.724 18.944 -1.550) 23.444 3.820 ( 2.624 0.507 -2.486) 3.650 4.263 ( 4.663 -0.555 6.266) 7.831 4.845 ( 0.191 -3.737 1.471) 4.021 5.251 ( -1.209 0.937 1.549) 2.177 7.018 ( 10.196 -14.530 -3.289) 18.052 7.260 ( -20.507 -3.001 -7.983) 22.210 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -1.299 8.993 5.259) 10.499 1.191 ( -0.039 11.106 -5.860) 12.557 1.251 ( -1.634 -1.784 -2.063) 3.179 2.261 ( 8.049 15.164 -1.498) 17.233 2.418 ( 3.465 9.127 0.654) 9.784 3.199 ( 11.701 14.632 -2.676) 18.925 3.856 ( 0.992 1.875 -2.086) 2.975 4.296 ( 1.537 -7.333 3.111) 8.112 4.838 ( 1.544 -1.609 1.527) 2.703 5.263 ( -0.274 2.846 1.606) 3.280 6.623 ( -25.411 -11.045 -1.599) 27.753 7.237 ( 10.781 -5.113 -5.251) 13.036 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -0.691 6.112 4.372) 7.547 1.199 ( -0.852 -0.152 -0.204) 0.890 1.329 ( 4.203 9.763 -2.878) 11.012 2.512 ( 7.162 9.142 -2.979) 11.990 2.628 ( 6.520 15.395 2.045) 16.843 3.483 ( 8.073 9.543 -0.910) 12.533 3.875 ( -0.747 1.373 -0.571) 1.664 4.193 ( -2.847 -10.631 -0.395) 11.012 4.861 ( 1.839 -0.723 -0.388) 2.014 5.299 ( 0.085 3.451 1.001) 3.595 6.114 ( -25.113 -1.092 -0.407) 25.140 7.350 ( 11.485 -9.035 -2.803) 14.879 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -1.547 1.471 0.610) 2.220 1.209 ( -0.086 2.617 0.663) 2.701 1.493 ( 4.646 5.977 0.371) 7.579 2.697 ( 5.596 7.095 0.858) 9.077 2.905 ( 5.965 17.157 -1.662) 18.241 3.655 ( 3.680 2.889 3.661) 5.940 3.822 ( -3.963 -3.560 -0.687) 5.371 4.048 ( -4.014 -2.633 -1.174) 4.942 4.881 ( 2.204 -1.424 -1.536) 3.041 5.331 ( 0.152 1.790 0.525) 1.872 5.773 ( -18.575 7.850 0.885) 20.185 7.426 ( 9.628 -10.730 -3.068) 14.739 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -0.215 0.360 -0.821) 0.922 1.232 ( -0.830 2.805 0.558) 2.978 1.570 ( 0.899 -0.123 -1.416) 1.682 2.818 ( 1.541 2.363 1.311) 3.111 3.129 ( 0.218 15.923 -2.288) 16.088 3.636 ( -2.272 -2.883 4.527) 5.828 3.815 ( 3.355 1.638 2.181) 4.324 3.988 ( -4.341 2.691 1.197) 5.246 4.910 ( 3.615 -1.753 -0.632) 4.067 5.336 ( -0.297 -0.574 0.429) 0.776 5.625 ( -12.351 14.094 0.158) 18.741 7.445 ( 7.127 -12.083 -4.355) 14.689 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 1.913 0.243 -1.283) 2.317 1.236 ( -1.599 1.746 1.054) 2.592 1.533 ( -1.506 -3.269 -2.267) 4.254 2.802 ( -2.438 -3.004 1.061) 4.011 3.164 ( -9.527 8.372 -0.807) 12.709 3.658 ( 1.152 2.578 3.312) 4.352 3.903 ( 1.484 3.308 1.277) 3.844 3.962 ( 0.084 1.860 3.754) 4.191 4.955 ( 2.325 -1.574 0.581) 2.867 5.332 ( 0.325 0.299 0.148) 0.466 5.610 ( -7.279 17.781 -0.135) 19.214 7.414 ( 5.895 -13.361 -4.985) 15.431 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 2.277 0.394 -1.404) 2.704 1.217 ( -1.035 -1.282 2.769) 3.222 1.476 ( -0.669 -2.384 -0.519) 2.530 2.715 ( -3.360 -4.550 1.556) 5.866 2.989 ( -16.157 2.187 0.125) 16.305 3.664 ( -3.104 -1.101 3.475) 4.788 3.920 ( -2.554 6.612 -2.224) 7.429 4.055 ( 5.761 -1.206 2.247) 6.300 4.917 ( -4.640 -1.955 -1.056) 5.144 5.333 ( -1.975 0.824 0.560) 2.212 5.784 ( 4.749 22.833 1.258) 23.355 7.370 ( 6.890 -14.203 -4.237) 16.344 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -4.001 -3.448 2.762) 5.960 1.239 ( 3.456 -1.819 0.716) 3.971 1.458 ( -0.138 -0.967 0.518) 1.105 2.608 ( -4.618 -4.581 1.464) 6.667 2.683 ( -19.149 -1.103 0.111) 19.181 3.547 ( -9.385 -3.011 0.732) 9.884 3.934 ( -3.638 6.630 -1.315) 7.676 4.108 ( 3.389 -3.982 -0.572) 5.260 4.799 ( -5.558 -0.103 -1.278) 5.704 5.290 ( -3.380 0.373 0.907) 3.519 6.185 ( 13.302 22.985 0.805) 26.569 7.353 ( 8.808 -14.016 -3.086) 16.839 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 2.333 1.037) 2.553 1.085 ( 0.000 16.807 -7.235) 18.298 1.434 ( 0.000 0.081 2.269) 2.270 1.938 ( 0.000 14.013 1.881) 14.139 2.321 ( -0.000 4.788 -4.541) 6.599 2.547 ( 0.000 25.328 1.866) 25.397 3.717 ( -0.000 -0.654 -0.889) 1.104 4.190 ( 0.000 4.680 5.598) 7.297 4.845 ( -0.000 -4.964 1.453) 5.172 5.281 ( -0.000 -1.673 0.186) 1.683 6.727 ( -0.000 -6.178 -5.459) 8.244 7.700 ( -0.000 -10.866 -7.443) 13.171 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -1.165 2.774 -0.260) 3.020 1.209 ( -0.527 12.844 -6.442) 14.379 1.383 ( -4.316 -1.656 -1.329) 4.810 2.095 ( 1.644 15.149 0.207) 15.240 2.371 ( 0.445 7.609 -3.510) 8.391 2.855 ( 5.898 24.104 -0.904) 24.831 3.753 ( 3.900 0.343 -1.130) 4.075 4.248 ( 0.329 1.726 6.187) 6.432 4.806 ( 0.345 -4.033 2.301) 4.656 5.266 ( 0.183 -0.747 0.471) 0.902 6.682 ( 8.062 -17.157 -0.912) 18.978 7.492 ( -11.883 -3.571 -8.625) 15.111 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.447 3.839 0.284) 3.876 1.281 ( -3.393 0.535 0.395) 3.457 1.293 ( -1.652 8.236 -7.068) 10.978 2.292 ( 4.451 14.128 -3.093) 15.132 2.484 ( 2.407 11.626 1.618) 11.983 3.185 ( 7.759 19.055 -2.717) 20.753 3.823 ( 3.601 1.333 -2.833) 4.772 4.243 ( -1.578 -4.734 4.441) 6.680 4.801 ( 1.501 -1.552 2.376) 3.210 5.285 ( 1.129 1.514 1.290) 2.287 6.609 ( 5.160 -22.538 -1.230) 23.154 7.237 ( -12.422 2.320 -5.363) 13.728 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 2.521 3.695 2.646) 5.197 1.212 ( -3.392 -0.181 1.610) 3.759 1.370 ( 1.245 8.992 -3.687) 9.798 2.494 ( 5.633 11.295 -3.509) 13.100 2.697 ( 5.247 15.853 3.482) 17.058 3.464 ( 6.534 13.250 -1.771) 14.879 3.880 ( 1.963 1.945 -2.946) 4.039 4.130 ( -3.237 -9.941 0.741) 10.481 4.827 ( 1.516 -0.221 0.318) 1.565 5.326 ( 0.535 2.257 1.204) 2.613 6.395 ( -8.698 -10.915 -2.471) 14.174 7.126 ( 0.783 -3.779 -0.906) 3.965 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -2.252 -0.863 1.072) 2.639 1.247 ( 0.236 4.533 2.826) 5.347 1.486 ( 3.253 5.634 0.677) 6.540 2.693 ( 5.360 10.036 1.091) 11.430 2.975 ( 6.567 18.206 0.535) 19.361 3.648 ( 3.174 6.485 1.391) 7.353 3.863 ( -4.925 -2.806 -1.125) 5.779 4.015 ( 2.024 -4.655 -3.870) 6.383 4.838 ( 0.756 -0.894 -1.716) 2.077 5.344 ( -0.362 0.431 0.515) 0.763 6.148 ( -14.377 4.085 -0.404) 14.952 7.139 ( 8.122 -10.608 -0.707) 13.379 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -1.700 -0.306 0.592) 1.826 1.288 ( -1.160 4.084 1.973) 4.682 1.555 ( 0.771 0.113 0.485) 0.918 2.843 ( 1.126 5.278 3.656) 6.519 3.269 ( 4.431 20.155 -1.264) 20.675 3.665 ( -3.260 -2.643 3.705) 5.599 3.790 ( 0.956 1.052 -1.079) 1.785 4.032 ( 1.320 0.487 -2.649) 2.999 4.838 ( 1.897 -1.789 -1.552) 3.034 5.331 ( -0.354 -1.454 0.089) 1.500 5.998 ( -13.434 13.407 0.743) 18.994 7.162 ( 8.765 -13.998 -2.260) 16.670 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.411 0.057 0.043) 0.417 1.300 ( -2.401 3.153 2.023) 4.449 1.524 ( -1.713 -3.229 -1.030) 3.798 2.844 ( -3.840 -0.915 3.016) 4.968 3.413 ( -7.595 12.083 -0.300) 14.275 3.674 ( 1.540 4.373 1.040) 4.752 3.846 ( 4.989 0.287 2.582) 5.625 4.031 ( -1.750 1.647 -1.507) 2.836 4.875 ( 4.529 -1.443 -0.236) 4.760 5.318 ( 0.740 -0.960 -0.310) 1.251 5.948 ( -10.642 17.673 0.648) 20.640 7.142 ( 7.185 -15.787 -3.295) 17.656 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 1.738 0.257 -0.206) 1.769 1.271 ( -4.059 0.250 2.492) 4.770 1.466 ( -0.855 -2.086 -0.311) 2.275 2.753 ( -4.739 -2.822 2.948) 6.254 3.296 ( -15.120 5.031 -0.331) 15.938 3.699 ( -1.149 -0.679 2.359) 2.711 3.961 ( 5.209 0.385 0.866) 5.294 4.015 ( -2.319 4.562 -2.729) 5.800 4.926 ( 1.619 -1.313 -0.689) 2.196 5.338 ( 1.496 0.224 -0.078) 1.515 6.005 ( -3.981 20.281 0.853) 20.686 7.090 ( 6.637 -15.840 -2.798) 17.401 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 2.928 0.470 -0.671) 3.041 1.185 ( -4.705 -3.194 3.338) 6.594 1.453 ( 0.001 -0.271 0.762) 0.809 2.654 ( -4.646 -2.486 2.191) 5.707 3.017 ( -19.703 0.511 -0.492) 19.716 3.646 ( -4.458 -1.951 1.678) 5.147 4.014 ( 3.388 -2.790 -0.841) 4.469 4.029 ( -1.691 5.166 -3.096) 6.255 4.887 ( -4.088 -0.263 -1.439) 4.341 5.340 ( -1.649 -0.231 0.472) 1.731 6.217 ( 6.226 15.799 -0.072) 16.982 7.068 ( 7.850 -11.034 -1.172) 13.592 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.000 0.878 -1.723) 1.934 1.312 ( 0.000 9.817 -4.984) 11.009 1.386 ( -0.000 -3.337 -5.453) 6.393 2.229 ( 0.000 14.601 -0.873) 14.627 2.425 ( 0.000 8.524 -5.866) 10.347 3.056 ( 0.000 24.676 -1.474) 24.720 3.726 ( 0.000 1.556 1.444) 2.123 4.289 ( 0.000 1.331 5.898) 6.046 4.774 ( 0.000 -2.876 3.209) 4.309 5.243 ( -0.000 -1.945 -0.664) 2.055 6.422 ( -0.000 -21.608 1.195) 21.641 7.542 ( -0.000 -1.223 -7.964) 8.057 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.830 1.014 -1.900) 2.308 1.308 ( -1.737 -3.678 -3.999) 5.704 1.378 ( -0.714 7.631 -5.394) 9.372 2.372 ( 1.109 13.367 -3.278) 13.807 2.535 ( 4.071 10.128 -2.844) 11.280 3.298 ( 2.120 21.023 -2.484) 21.276 3.776 ( 2.515 2.124 0.637) 3.352 4.270 ( -3.551 -3.071 4.358) 6.405 4.778 ( 0.951 0.002 3.424) 3.553 5.254 ( 3.143 -0.463 -0.185) 3.182 6.254 ( 6.126 -23.684 0.080) 24.464 7.441 ( -8.806 1.157 -4.712) 10.054 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 2.783 0.724 0.117) 2.878 1.254 ( -0.539 -0.906 -1.271) 1.651 1.425 ( 0.140 5.950 -2.878) 6.611 2.521 ( 3.435 11.893 -3.628) 12.899 2.742 ( 7.149 12.356 0.101) 14.276 3.520 ( 3.091 15.671 -1.973) 16.094 3.840 ( 2.745 1.469 -1.114) 3.306 4.137 ( -6.433 -7.114 1.360) 9.687 4.812 ( 0.863 1.314 1.391) 2.099 5.322 ( 2.894 1.635 0.432) 3.352 6.167 ( 9.682 -20.497 -1.732) 22.735 7.263 ( -12.096 1.849 -0.545) 12.248 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.263 -1.887 0.817) 2.073 1.282 ( 1.862 3.107 1.108) 3.788 1.491 ( 1.974 3.805 0.692) 4.342 2.710 ( 5.421 11.344 -0.055) 12.573 3.013 ( 8.999 14.348 0.029) 16.937 3.685 ( 1.692 8.919 -0.212) 9.081 3.896 ( 3.504 0.582 -2.131) 4.142 3.944 ( -7.157 -6.873 -1.884) 10.100 4.828 ( -0.279 0.519 -1.201) 1.338 5.355 ( -0.361 0.190 0.098) 0.420 6.174 ( 8.769 -9.713 -1.624) 13.186 7.083 ( -9.120 -1.058 1.761) 9.348 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.927 -1.406 0.561) 1.775 1.343 ( 0.582 3.601 1.266) 3.861 1.543 ( 0.922 -0.378 1.663) 1.938 2.887 ( 2.526 6.701 3.169) 7.831 3.338 ( 10.151 18.030 0.008) 20.691 3.718 ( -3.339 -1.435 2.235) 4.267 3.804 ( -2.445 0.704 -3.683) 4.477 3.960 ( 4.079 -0.012 -2.944) 5.031 4.810 ( -0.729 -0.728 -1.747) 2.028 5.328 ( -1.288 -1.803 -0.148) 2.220 6.237 ( 1.254 4.287 -0.190) 4.471 6.948 ( -1.781 -8.161 0.766) 8.388 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.874 -0.714 0.337) 1.178 1.377 ( -1.320 3.609 1.737) 4.218 1.516 ( -1.522 -3.719 0.006) 4.018 2.916 ( -3.406 -0.053 2.912) 4.482 3.635 ( -3.361 10.898 1.592) 11.515 3.698 ( 4.759 9.885 0.061) 10.971 3.783 ( 0.566 -2.018 -0.051) 2.096 4.004 ( 3.547 -2.005 -3.266) 5.222 4.801 ( 1.761 -1.035 -0.743) 2.174 5.295 ( -0.006 -1.679 -0.248) 1.697 6.283 ( -7.059 14.542 0.787) 16.183 6.862 ( 5.065 -15.051 -1.228) 15.928 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.088 -0.222 0.309) 0.390 1.360 ( -4.575 0.446 2.103) 5.055 1.460 ( -0.456 -1.601 0.079) 1.667 2.830 ( -5.370 -1.995 3.212) 6.568 3.583 ( -11.345 5.526 0.550) 12.631 3.712 ( -1.962 -2.473 0.382) 3.180 3.887 ( 4.012 1.415 0.089) 4.255 4.052 ( 2.359 3.149 -3.280) 5.122 4.851 ( 4.531 -0.723 -0.605) 4.628 5.302 ( 2.079 -0.241 -0.438) 2.138 6.290 ( -8.679 13.846 0.646) 16.354 6.824 ( 7.513 -12.451 -1.000) 14.576 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 1.710 -0.080 0.332) 1.743 1.265 ( -5.360 -1.855 2.115) 6.053 1.463 ( -0.192 1.153 1.751) 2.105 2.732 ( -5.262 -1.136 3.410) 6.372 3.349 ( -18.236 0.322 -0.387) 18.243 3.668 ( -0.834 -2.691 0.467) 2.856 3.930 ( 2.955 -2.443 -2.180) 4.410 4.086 ( -1.123 2.948 -2.558) 4.062 4.899 ( 1.565 -0.412 -2.037) 2.602 5.338 ( 1.506 -0.042 -0.338) 1.544 6.256 ( -2.458 -1.889 -0.661) 3.170 6.901 ( 7.136 3.646 1.307) 8.120 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 0.638 -1.945) 2.047 1.253 ( -0.000 -5.393 -6.981) 8.822 1.432 ( -0.000 4.809 -3.629) 6.025 2.490 ( 0.000 12.589 -2.701) 12.875 2.563 ( 0.000 8.342 -5.403) 9.939 3.474 ( 0.000 18.454 -2.971) 18.692 3.791 ( 0.000 3.451 2.756) 4.417 4.283 ( -0.000 -4.774 2.723) 5.496 4.798 ( 0.000 3.377 4.052) 5.275 5.199 ( -0.000 -1.954 -0.856) 2.133 5.975 ( -0.000 -22.123 -0.010) 22.123 7.514 ( -0.000 0.657 -2.555) 2.639 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 1.408 0.379 -0.745) 1.638 1.202 ( 2.227 -3.708 -4.891) 6.529 1.460 ( 0.092 2.978 -1.736) 3.448 2.587 ( 0.697 10.531 -3.175) 11.021 2.707 ( 7.256 8.630 -3.382) 11.771 3.634 ( 0.767 14.000 -2.187) 14.190 3.837 ( 0.333 2.912 1.959) 3.526 4.181 ( -5.147 -6.457 -0.319) 8.264 4.843 ( -0.955 4.167 2.306) 4.857 5.250 ( 6.512 0.384 -0.232) 6.528 5.814 ( 5.607 -19.557 -0.847) 20.362 7.451 ( -7.297 0.783 0.337) 7.347 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.628 -1.667 0.514) 2.386 1.239 ( 4.754 0.447 -1.648) 5.052 1.493 ( 1.244 1.633 0.893) 2.238 2.728 ( 4.474 9.853 -0.839) 10.853 2.941 ( 11.269 8.632 -2.661) 14.443 3.749 ( 0.119 6.277 -0.387) 6.290 3.864 ( -0.021 1.883 -0.884) 2.080 4.020 ( -6.280 -3.006 -1.808) 7.193 4.856 ( -1.701 2.719 -0.526) 3.250 5.351 ( 2.058 0.981 -0.216) 2.290 5.810 ( 14.891 -14.144 -0.725) 20.551 7.297 ( -11.804 0.848 2.468) 12.089 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.409 -1.709 0.269) 1.778 1.329 ( 4.145 1.611 -0.800) 4.518 1.527 ( 0.981 -0.820 2.325) 2.653 2.893 ( 4.411 5.281 0.638) 6.911 3.260 ( 15.318 11.184 -0.842) 18.985 3.728 ( -1.811 -4.069 -0.566) 4.489 3.858 ( -3.102 2.923 -5.486) 6.947 3.959 ( -1.352 3.217 2.259) 4.157 4.837 ( -2.517 1.492 -1.599) 3.335 5.337 ( -1.722 -1.671 -0.217) 2.409 6.015 ( 18.618 -5.422 -0.408) 19.396 7.087 ( -13.754 -0.334 2.666) 14.014 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.322 -0.996 0.058) 1.048 1.400 ( 2.477 1.853 -0.716) 3.175 1.507 ( -1.514 -3.498 1.051) 3.954 2.949 ( -0.248 -1.272 -0.462) 1.376 3.648 ( 15.257 9.160 1.034) 17.826 3.691 ( 1.348 0.265 -0.438) 1.442 3.806 ( -3.067 1.604 -2.274) 4.141 3.963 ( -2.399 0.780 1.047) 2.731 4.802 ( -2.094 1.002 -0.830) 2.465 5.292 ( -1.358 -1.177 0.078) 1.798 6.294 ( 15.835 1.457 -0.431) 15.908 6.838 ( -13.724 -3.597 1.316) 14.248 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.370 -0.440 -0.001) 0.575 1.423 ( -3.320 -4.485 0.011) 5.580 1.449 ( 1.186 2.102 -0.008) 2.413 2.888 ( -3.020 -3.127 0.016) 4.347 3.715 ( -2.355 -4.084 -0.166) 4.717 3.733 ( 0.917 2.823 0.185) 2.974 3.883 ( -3.389 -5.448 -0.266) 6.422 3.989 ( 7.445 9.256 0.244) 11.881 4.798 ( 0.876 1.212 -0.022) 1.496 5.278 ( 0.371 0.379 0.010) 0.531 6.558 ( -8.967 -12.242 -0.094) 15.175 6.578 ( 8.804 12.010 0.091) 14.892 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.466 -0.027 0.227) 0.519 1.323 ( -3.588 -3.423 0.566) 4.991 1.486 ( 0.468 2.377 1.257) 2.729 2.810 ( -3.517 -1.532 2.021) 4.336 3.589 ( -8.615 -6.672 0.819) 10.927 3.683 ( -6.721 1.258 -0.620) 6.866 3.837 ( 4.219 -4.033 -1.970) 6.160 4.104 ( 0.622 1.299 -1.023) 1.767 4.847 ( 2.924 1.055 -0.998) 3.264 5.307 ( 1.791 0.840 -0.260) 1.995 6.265 ( -8.613 -14.527 -0.225) 16.889 6.871 ( 8.942 15.066 0.910) 17.544 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.000 0.793 -0.612) 1.002 1.114 ( -0.000 -4.482 -4.578) 6.406 1.474 ( 0.000 1.007 -0.297) 1.049 2.682 ( 0.000 6.264 -3.338) 7.098 2.689 ( 0.000 8.994 -2.057) 9.226 3.742 ( 0.000 9.841 -1.249) 9.920 3.876 ( 0.000 3.171 1.683) 3.590 4.155 ( -0.000 -6.453 -4.096) 7.644 4.926 ( 0.000 6.484 2.074) 6.807 5.161 ( -0.000 -1.478 -0.040) 1.478 5.602 ( -0.000 -14.634 -0.729) 14.652 7.520 ( 0.000 -0.088 2.076) 2.078 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.547 -2.070 -0.667) 2.669 1.149 ( 4.558 0.405 -0.722) 4.632 1.487 ( 0.764 0.056 1.526) 1.708 2.747 ( 2.387 6.413 -0.914) 6.904 2.834 ( 7.608 6.054 -1.697) 9.870 3.800 ( -1.398 1.954 0.346) 2.428 3.901 ( -0.349 3.486 -1.121) 3.679 4.062 ( -2.804 -2.018 -5.963) 6.891 4.939 ( -3.718 4.421 -0.117) 5.778 5.270 ( 9.646 1.419 0.350) 9.756 5.498 ( 3.988 -11.796 -0.236) 12.454 7.469 ( -6.507 -0.181 3.600) 7.439 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 1.611 -1.257 -0.084) 2.045 1.246 ( 5.686 0.725 -0.711) 5.776 1.507 ( 1.037 -1.059 2.669) 3.053 2.853 ( 4.086 2.305 -0.811) 4.761 3.079 ( 14.221 6.130 0.594) 15.497 3.734 ( -3.270 -2.919 -1.760) 4.723 3.926 ( -1.584 4.259 -4.569) 6.444 4.009 ( -1.478 0.690 -0.562) 1.725 4.913 ( -3.667 3.472 -1.088) 5.166 5.346 ( -0.907 -1.262 -0.111) 1.558 5.622 ( 19.408 -4.678 0.362) 19.967 7.320 ( -11.718 -0.386 3.811) 12.328 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.581 -0.483 -0.215) 0.786 1.336 ( 4.703 -0.133 -1.883) 5.068 1.501 ( -0.653 -2.460 1.420) 2.915 2.900 ( 2.168 -3.054 -2.969) 4.779 3.401 ( 16.636 0.516 1.021) 16.675 3.688 ( 0.153 1.948 -0.542) 2.028 3.893 ( -4.203 3.037 -2.521) 5.766 4.005 ( -0.196 -0.333 1.506) 1.555 4.876 ( -3.898 2.789 -0.266) 4.801 5.313 ( -1.503 -0.089 0.262) 1.528 5.957 ( 21.217 -0.258 -0.313) 21.221 7.088 ( -15.333 -1.319 2.526) 15.595 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -0.264 0.060 -0.392) 0.476 1.378 ( 1.920 -3.876 -1.898) 4.723 1.463 ( -0.675 -0.170 -0.661) 0.959 2.862 ( 0.210 -5.205 -3.894) 6.504 3.590 ( 10.778 -7.813 -0.973) 13.348 3.714 ( -1.344 -2.281 -0.022) 2.648 3.883 ( -1.345 3.203 0.993) 3.613 4.022 ( 1.711 3.601 3.413) 5.248 4.844 ( -2.873 2.874 0.896) 4.161 5.298 ( -1.186 1.650 0.439) 2.079 6.295 ( 16.028 -0.925 -0.396) 16.060 6.818 ( -13.599 1.092 0.453) 13.650 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 -0.102 0.825) 0.831 1.116 ( 0.000 0.819 1.041) 1.325 1.483 ( 0.000 -0.522 2.589) 2.642 2.772 ( 0.000 3.746 0.091) 3.748 2.818 ( 0.000 4.481 0.307) 4.492 3.821 ( -0.000 -1.665 -1.214) 2.061 3.913 ( -0.000 0.076 -1.164) 1.167 4.063 ( -0.000 2.977 -9.147) 9.620 5.038 ( 0.000 3.826 -0.839) 3.917 5.147 ( 0.000 -0.276 1.365) 1.393 5.394 ( -0.000 -6.334 -0.160) 6.336 7.534 ( 0.000 -0.453 4.836) 4.857 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.506 1.248 1.275) 1.854 1.170 ( 4.125 1.166 1.267) 4.470 1.491 ( 0.561 -0.827 3.294) 3.442 2.814 ( 1.539 0.706 0.442) 1.750 2.930 ( 8.474 2.723 2.210) 9.171 3.757 ( -2.786 -2.230 -3.923) 5.304 3.922 ( 2.044 -1.532 -2.390) 3.499 4.059 ( -2.606 4.470 -6.166) 8.050 5.005 ( -3.665 1.865 -0.731) 4.177 5.298 ( 13.728 0.496 0.874) 13.765 5.348 ( -0.137 -2.551 -0.256) 2.568 7.488 ( -6.627 -0.403 5.183) 8.423 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.529 1.314 0.522) 1.510 1.253 ( 4.025 0.222 -0.729) 4.097 1.492 ( -0.296 -1.635 2.008) 2.607 2.826 ( 1.275 -3.388 -1.570) 3.946 3.137 ( 13.070 -2.651 2.219) 13.520 3.710 ( -0.626 1.785 -2.444) 3.091 3.928 ( 1.905 -2.500 -1.787) 3.615 4.025 ( -3.672 2.721 -2.426) 5.174 4.957 ( -2.974 0.092 0.418) 3.004 5.336 ( -0.490 0.918 -0.364) 1.103 5.610 ( 19.910 3.458 -0.117) 20.208 7.328 ( -12.789 -1.077 4.144) 13.486 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -0.202 1.497 -0.080) 1.512 1.293 ( 2.485 -3.138 -2.501) 4.719 1.466 ( -0.782 -1.058 -0.356) 1.363 2.783 ( 0.476 -5.727 -3.824) 6.903 3.292 ( 12.092 -10.625 0.455) 16.103 3.717 ( -0.594 -0.691 -1.670) 1.902 3.959 ( -0.672 3.788 1.201) 4.031 3.994 ( 1.785 -0.550 1.995) 2.733 4.916 ( -2.116 0.076 1.582) 2.643 5.338 ( -0.878 1.665 0.018) 1.883 6.012 ( 19.481 6.693 -0.647) 20.609 7.068 ( -15.814 -1.613 1.948) 16.015 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 5.038 2.870) 5.798 1.139 ( 0.000 0.495 1.975) 2.037 1.492 ( 0.000 -0.423 3.817) 3.840 2.822 ( 0.000 0.149 2.448) 2.453 2.861 ( 0.000 -1.361 2.383) 2.745 3.747 ( -0.000 -1.863 -5.530) 5.835 3.864 ( -0.000 -3.240 -3.479) 4.754 4.120 ( -0.000 5.670 -6.028) 8.275 5.040 ( -0.000 -3.882 -0.854) 3.975 5.165 ( 0.000 0.895 2.126) 2.307 5.354 ( 0.000 3.585 -1.608) 3.929 7.563 ( 0.000 0.228 5.982) 5.986 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -1.213 2.387 2.101) 3.403 1.210 ( 2.251 2.645 0.558) 3.518 1.495 ( -0.539 -0.751 2.774) 2.924 2.792 ( -1.095 -3.329 1.275) 3.729 2.923 ( 7.730 -5.494 1.913) 9.675 3.716 ( -0.020 -0.202 -4.095) 4.100 3.841 ( 2.478 -3.671 -2.487) 5.080 4.122 ( -3.729 4.426 -3.971) 7.019 4.964 ( -1.160 -6.082 0.735) 6.235 5.280 ( 8.103 -1.403 0.777) 8.260 5.444 ( 5.515 11.741 -2.225) 13.161 7.518 ( -7.763 0.264 5.546) 9.544 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( -0.415 2.219 1.410) 2.661 1.239 ( -0.018 -0.820 -2.104) 2.258 1.473 ( -1.207 -0.922 0.317) 1.552 2.728 ( -1.306 -5.307 -1.266) 5.611 2.989 ( 9.767 -12.413 0.126) 15.795 3.694 ( 0.238 -3.753 -3.270) 4.984 3.898 ( 6.010 0.912 2.554) 6.594 4.072 ( -4.827 2.739 -1.359) 5.714 4.905 ( 0.657 -5.459 1.556) 5.714 5.338 ( 1.770 -1.219 -0.660) 2.248 5.795 ( 17.017 15.879 -1.277) 23.310 7.333 ( -14.902 -0.639 3.944) 15.428 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 -0.266 1.743) 1.763 1.245 ( 0.000 5.752 0.296) 5.760 1.504 ( 0.000 -0.567 2.479) 2.543 2.772 ( -0.000 -9.264 1.635) 9.407 2.792 ( -0.000 -4.442 1.107) 4.578 3.688 ( -0.000 -2.706 -3.329) 4.290 3.776 ( -0.000 -2.990 -2.723) 4.045 4.193 ( -0.000 4.217 -3.186) 5.285 4.893 ( -0.000 -9.440 1.020) 9.495 5.197 ( 0.000 1.088 1.511) 1.862 5.526 ( 0.000 15.160 -3.658) 15.595 7.613 ( 0.000 1.330 5.794) 5.944 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.119 -0.919 0.943) 1.322 1.276 ( -2.082 3.349 -1.485) 4.214 1.488 ( -1.312 -1.039 0.279) 1.697 2.695 ( 1.006 -8.723 1.486) 8.906 2.735 ( 2.291 -11.417 -2.301) 11.869 3.626 ( -0.278 -7.512 -2.299) 7.861 3.806 ( 5.882 -0.209 0.404) 5.899 4.178 ( -4.421 2.539 -1.006) 5.196 4.819 ( 1.311 -7.606 1.742) 7.912 5.259 ( 4.293 -1.088 0.100) 4.429 5.760 ( 8.445 21.344 -2.836) 23.128 7.564 ( -9.345 1.194 4.825) 10.585 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -0.000 -1.731 0.289) 1.755 1.321 ( -0.000 2.102 -2.518) 3.280 1.485 ( -0.000 -1.808 -1.623) 2.430 2.514 ( -0.000 -16.295 -1.835) 16.398 2.667 ( -0.000 -7.522 -1.543) 7.678 3.528 ( -0.000 -13.700 -0.940) 13.732 3.735 ( 0.000 -0.388 0.475) 0.613 4.239 ( 0.000 0.654 1.138) 1.312 4.751 ( -0.000 -4.494 2.330) 5.062 5.220 ( 0.000 0.725 0.052) 0.727 5.901 ( 0.000 24.286 -2.965) 24.466 7.679 ( 0.000 2.131 4.184) 4.695 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 -0.000 19.182) 19.182 0.564 ( 0.000 -0.000 19.182) 19.182 0.970 ( 0.000 -0.000 35.750) 35.750 1.489 ( 0.000 0.000 -1.047) 1.047 1.489 ( 0.000 0.000 -1.047) 1.047 3.170 ( -0.000 0.000 -14.196) 14.196 3.830 ( 0.000 0.000 -2.206) 2.206 3.830 ( 0.000 0.000 -2.206) 2.206 5.091 ( 0.000 -0.000 2.012) 2.012 5.307 ( 0.000 -0.000 0.950) 0.950 5.307 ( -0.000 -0.000 0.950) 0.950 8.596 ( -0.000 0.000 -0.569) 0.569 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -1.902 -1.098 18.997) 19.124 0.603 ( -5.127 -2.960 23.492) 24.226 1.228 ( 8.426 4.865 15.407) 18.222 1.504 ( 2.240 1.293 -0.842) 2.720 1.704 ( 17.306 9.992 3.878) 20.356 2.630 ( -23.559 -13.602 1.192) 27.230 3.838 ( 0.316 0.183 -1.920) 1.954 3.943 ( 7.064 4.078 0.924) 8.209 5.016 ( -2.296 -1.326 -0.410) 2.683 5.280 ( -1.666 -0.962 0.755) 2.066 6.143 ( 44.069 25.443 -28.965) 58.552 8.371 ( -18.011 -10.398 3.425) 21.077 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -1.363 -0.787 17.092) 17.164 0.598 ( 6.538 3.775 11.644) 13.877 1.367 ( 1.954 1.128 2.378) 3.278 1.593 ( 5.832 3.367 0.456) 6.750 2.170 ( 18.046 10.419 -0.241) 20.839 2.291 ( -4.333 -2.502 0.689) 5.051 3.835 ( -0.100 -0.057 -1.698) 1.702 4.140 ( 8.996 5.194 5.332) 11.676 4.962 ( -2.366 -1.366 -0.467) 2.772 5.241 ( -1.814 -1.048 0.686) 2.204 6.833 ( 24.704 14.263 -26.748) 39.104 7.870 ( -25.956 -14.986 5.227) 30.424 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 3.791 2.189 4.100) 5.998 0.799 ( 8.004 4.621 4.288) 10.189 1.349 ( -2.624 -1.515 -2.336) 3.826 1.783 ( 10.510 6.068 1.865) 12.279 2.216 ( 3.099 1.789 -4.834) 6.014 2.672 ( 19.710 11.380 0.429) 22.763 3.828 ( -0.023 -0.013 -1.237) 1.238 4.351 ( 7.193 4.153 5.788) 10.124 4.911 ( -1.913 -1.105 0.380) 2.241 5.207 ( -1.267 -0.732 0.564) 1.568 7.078 ( -10.162 -5.867 -12.210) 16.934 7.353 ( -6.080 -3.510 -0.887) 7.076 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 9.069 5.236 -2.822) 10.845 0.964 ( 5.784 3.340 0.173) 6.681 1.279 ( -2.233 -1.289 -2.194) 3.385 2.072 ( 13.901 8.026 1.704) 16.142 2.326 ( 6.695 3.865 -2.880) 8.250 3.087 ( 16.629 9.601 -1.936) 19.299 3.829 ( 0.362 0.209 -0.258) 0.491 4.464 ( 0.869 0.502 2.824) 2.997 4.886 ( -0.272 -0.157 1.092) 1.136 5.189 ( -0.384 -0.222 0.178) 0.478 6.475 ( -29.542 -17.056 0.446) 34.115 7.480 ( 8.046 4.645 -7.162) 11.731 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 8.986 5.188 -3.493) 10.949 1.068 ( 3.712 2.143 -1.454) 4.526 1.264 ( 2.328 1.344 0.536) 2.741 2.398 ( 13.771 7.950 0.043) 15.901 2.481 ( 7.296 4.212 -1.930) 8.642 3.412 ( 12.202 7.045 -0.915) 14.119 3.841 ( 0.474 0.274 1.215) 1.332 4.378 ( -9.241 -5.335 0.153) 10.671 4.904 ( 1.508 0.871 0.548) 1.826 5.189 ( 0.329 0.190 -0.569) 0.684 5.871 ( -22.168 -12.799 2.516) 25.721 7.614 ( 5.191 2.997 -4.947) 7.772 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 1.333 0.770 -3.581) 3.898 1.131 ( 2.278 1.315 -1.987) 3.297 1.422 ( 8.985 5.187 0.558) 10.390 2.645 ( 7.527 4.346 -1.446) 8.811 2.678 ( 10.676 6.164 -1.723) 12.447 3.643 ( 8.060 4.654 2.628) 9.671 3.852 ( -0.261 -0.151 2.816) 2.832 4.062 ( -16.733 -9.661 0.794) 19.338 4.954 ( 2.554 1.475 0.481) 2.988 5.197 ( 0.567 0.327 -1.554) 1.686 5.512 ( -10.462 -6.041 2.960) 12.438 7.687 ( 2.479 1.431 -4.926) 5.697 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 1.259 0.727 -2.719) 3.083 1.164 ( 1.185 0.684 -2.074) 2.485 1.572 ( 3.658 2.112 -3.758) 5.653 2.804 ( 6.006 3.468 -2.080) 7.241 2.861 ( 5.582 3.223 -2.676) 6.978 3.726 ( -10.525 -6.077 7.466) 14.264 3.819 ( 5.861 3.384 4.625) 8.197 3.839 ( -1.732 -1.000 3.862) 4.350 5.009 ( 1.740 1.004 1.084) 2.283 5.203 ( 0.475 0.274 -2.310) 2.374 5.364 ( -3.990 -2.304 1.708) 4.914 7.701 ( 0.362 0.209 -6.051) 6.066 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 3.004 1.734 -1.223) 3.678 1.174 ( 0.283 0.163 -1.855) 1.883 1.576 ( -1.298 -0.750 -4.914) 5.138 2.862 ( -0.628 -0.362 -1.771) 1.914 2.905 ( -1.308 -0.755 -2.312) 2.762 3.636 ( 0.037 0.021 6.237) 6.237 3.799 ( -2.555 -1.475 3.514) 4.588 3.985 ( 6.889 3.977 8.203) 11.427 5.019 ( -1.973 -1.139 1.331) 2.638 5.206 ( 0.400 0.231 -2.251) 2.298 5.332 ( 1.652 0.954 0.900) 2.109 7.680 ( -0.271 -0.156 -6.514) 6.522 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -0.537 -0.310 -1.300) 1.440 1.240 ( 4.088 2.360 1.091) 4.845 1.524 ( -1.911 -1.103 -1.726) 2.802 2.782 ( -8.939 -5.161 -0.543) 10.336 2.793 ( -4.664 -2.693 0.763) 5.439 3.659 ( -1.267 -0.732 3.057) 3.390 3.756 ( -1.669 -0.964 1.660) 2.544 4.160 ( 5.805 3.352 4.139) 7.878 4.904 ( -7.339 -4.237 -1.407) 8.590 5.210 ( 0.459 0.265 -1.313) 1.415 5.496 ( 12.586 7.267 3.090) 14.858 7.664 ( 0.619 0.358 -5.543) 5.589 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.000 -1.163 17.047) 17.086 0.848 ( 0.000 8.236 12.447) 14.926 1.262 ( 0.000 6.214 20.553) 21.472 1.537 ( 0.000 5.054 -0.238) 5.060 1.649 ( 0.000 15.183 4.575) 15.858 2.663 ( -0.000 -23.492 -1.694) 23.553 3.785 ( -0.000 -1.856 -2.441) 3.066 3.941 ( 0.000 6.610 0.614) 6.639 5.008 ( -0.000 -3.377 -0.372) 3.397 5.322 ( 0.000 -0.178 0.982) 0.998 6.017 ( 0.000 44.120 -23.096) 49.800 8.403 ( -0.000 -16.751 1.580) 16.825 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 2.024 9.152 7.893) 12.254 0.859 ( -9.139 8.450 14.336) 18.985 1.360 ( 0.680 2.406 6.418) 6.888 1.596 ( 0.922 8.038 0.597) 8.113 2.008 ( 15.742 16.784 5.343) 23.623 2.368 ( -9.033 -9.253 -2.875) 13.247 3.799 ( 2.879 -1.882 -2.245) 4.108 4.063 ( 6.070 5.868 3.820) 9.267 4.965 ( -0.928 -3.172 -0.497) 3.342 5.286 ( -3.033 0.038 0.964) 3.183 6.530 ( 20.286 24.250 -23.488) 39.386 8.083 ( -15.835 -19.054 2.234) 24.875 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( -0.668 10.525 1.676) 10.679 0.861 ( -4.068 10.136 10.640) 15.248 1.361 ( -1.822 -1.677 -0.567) 2.540 1.741 ( 4.924 10.562 1.956) 11.816 2.208 ( -1.590 2.446 -5.357) 6.100 2.484 ( 17.317 14.408 2.078) 22.623 3.815 ( 1.255 -0.480 -2.232) 2.605 4.257 ( 8.513 3.001 5.617) 10.631 4.916 ( -1.029 -2.921 0.066) 3.097 5.242 ( -2.447 0.364 1.204) 2.751 6.958 ( 15.903 10.769 -17.827) 26.205 7.547 ( -23.703 -19.506 2.753) 30.821 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.654 11.037 1.487) 11.156 0.966 ( 1.451 9.036 1.306) 9.245 1.292 ( -2.333 -2.387 -1.955) 3.868 1.983 ( 9.089 12.372 2.255) 15.517 2.270 ( 4.190 5.797 -2.465) 7.566 2.912 ( 16.096 13.305 -1.642) 20.948 3.825 ( 0.670 0.708 -1.709) 1.968 4.402 ( 5.271 -1.974 3.442) 6.597 4.881 ( -0.092 -1.988 0.762) 2.131 5.220 ( -1.643 1.638 1.178) 2.602 6.848 ( -29.496 -11.449 -2.690) 31.754 7.289 ( 12.904 -2.164 -6.164) 14.463 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 3.860 9.590 3.351) 10.867 1.077 ( 1.863 8.366 -2.910) 9.052 1.248 ( 0.242 -0.849 -0.164) 0.898 2.286 ( 10.978 11.902 0.358) 16.196 2.419 ( 5.817 7.115 -0.379) 9.198 3.277 ( 13.032 10.550 -1.590) 16.842 3.843 ( 0.551 1.326 -0.498) 1.520 4.394 ( -1.400 -8.125 0.407) 8.254 4.879 ( 1.199 -0.918 0.222) 1.526 5.225 ( -1.198 3.517 0.609) 3.765 6.216 ( -29.101 -9.323 0.826) 30.570 7.460 ( 10.843 -2.869 -4.895) 12.238 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 1.256 2.709 0.852) 3.106 1.149 ( -0.405 4.336 -2.526) 5.035 1.349 ( 7.209 6.773 1.895) 10.071 2.555 ( 8.663 6.975 -1.659) 11.245 2.617 ( 7.040 11.493 0.614) 13.492 3.553 ( 9.346 6.959 1.148) 11.708 3.859 ( -0.178 0.279 1.146) 1.193 4.197 ( -9.669 -10.924 -0.536) 14.598 4.902 ( 2.641 -0.974 -0.623) 2.883 5.250 ( -1.230 5.465 -0.192) 5.605 5.731 ( -20.203 -3.178 2.473) 20.600 7.569 ( 7.748 -4.543 -4.466) 10.031 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 0.431 0.400 -1.621) 1.725 1.173 ( -0.205 3.085 -1.436) 3.409 1.521 ( 4.508 4.142 -1.153) 6.230 2.737 ( 5.895 5.325 -0.360) 7.952 2.841 ( 4.959 11.519 -2.086) 12.713 3.745 ( 5.507 1.368 6.830) 8.880 3.803 ( -3.989 -5.728 1.022) 7.054 3.956 ( -7.740 0.099 2.446) 8.118 4.944 ( 3.862 -1.809 -0.303) 4.275 5.285 ( -1.911 7.135 -0.659) 7.416 5.465 ( -11.024 0.358 1.739) 11.166 7.610 ( 4.906 -5.862 -5.521) 9.429 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 2.135 0.149 -2.203) 3.072 1.192 ( -0.513 2.624 -1.028) 2.864 1.563 ( -0.084 -0.550 -4.312) 4.348 2.830 ( 1.496 0.347 -1.336) 2.036 2.975 ( -1.481 9.183 -2.562) 9.648 3.663 ( -1.805 -2.826 6.244) 7.087 3.868 ( -2.243 1.302 3.474) 4.336 3.934 ( 3.868 3.002 6.956) 8.506 4.991 ( 3.135 -1.912 0.796) 3.757 5.317 ( -3.951 10.019 -1.091) 10.825 5.341 ( -4.289 0.127 0.456) 4.315 7.598 ( 3.388 -6.782 -6.427) 9.939 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 2.683 -0.043 -2.007) 3.351 1.211 ( 0.871 2.176 0.339) 2.368 1.521 ( -0.968 -2.053 -3.113) 3.852 2.801 ( -1.933 -3.578 -0.744) 4.134 2.936 ( -9.383 3.070 -0.979) 9.921 3.679 ( 0.094 0.715 4.347) 4.407 3.822 ( -3.918 2.106 1.611) 4.730 4.078 ( 6.789 0.503 5.765) 8.921 4.969 ( -4.003 -3.365 -0.231) 5.234 5.286 ( -4.803 5.124 -0.715) 7.059 5.427 ( 6.019 11.002 1.517) 12.633 7.570 ( 3.973 -7.222 -6.000) 10.195 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 15.687 1.253) 15.737 1.013 ( 0.000 3.685 4.224) 5.606 1.420 ( 0.000 2.537 6.387) 6.872 1.697 ( 0.000 10.608 1.024) 10.657 2.067 ( 0.000 21.078 8.490) 22.723 2.350 ( -0.000 -6.849 -5.576) 8.832 3.736 ( -0.000 -1.590 -1.509) 2.192 4.091 ( 0.000 6.827 4.200) 8.015 4.936 ( -0.000 -3.890 0.022) 3.890 5.311 ( -0.000 -1.237 0.354) 1.287 6.537 ( -0.000 21.549 -16.723) 27.276 8.022 ( -0.000 -20.817 -1.169) 20.849 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -1.130 15.599 -4.152) 16.181 1.032 ( -2.248 4.089 3.523) 5.847 1.406 ( -3.975 -0.372 1.681) 4.332 1.817 ( 1.014 12.971 1.597) 13.108 2.264 ( -2.373 1.298 -5.000) 5.685 2.408 ( 10.352 20.669 3.172) 23.333 3.756 ( 3.309 -1.012 -1.662) 3.839 4.201 ( 3.775 4.808 5.884) 8.485 4.894 ( -0.362 -3.940 0.758) 4.028 5.283 ( -1.549 -0.733 0.578) 1.809 6.764 ( 11.451 8.736 -10.421) 17.778 7.691 ( -14.082 -18.694 -3.330) 23.640 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -2.317 11.736 -5.566) 13.194 1.070 ( -1.070 7.918 1.284) 8.093 1.318 ( -4.070 -1.968 -0.368) 4.536 2.006 ( 4.738 14.061 1.325) 14.897 2.290 ( 1.067 7.920 -1.429) 8.119 2.806 ( 12.880 17.872 -1.188) 22.062 3.798 ( 2.545 0.343 -2.582) 3.642 4.313 ( 3.808 -0.702 4.948) 6.284 4.858 ( 0.136 -3.094 1.409) 3.402 5.264 ( -0.947 0.997 1.349) 1.926 6.989 ( 13.773 -7.443 -3.323) 16.004 7.197 ( -23.063 -8.361 -6.085) 25.275 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 1.109 10.653 2.074) 10.910 1.143 ( 0.046 9.799 -3.635) 10.452 1.245 ( -2.058 -1.880 0.365) 2.811 2.249 ( 7.591 12.593 -1.206) 14.754 2.432 ( 3.797 11.450 2.422) 12.304 3.178 ( 11.930 14.550 -2.121) 18.935 3.836 ( 1.726 1.567 -2.425) 3.364 4.317 ( 0.193 -7.721 1.668) 7.902 4.849 ( 0.983 -1.631 0.883) 2.099 5.277 ( -0.451 2.897 1.489) 3.289 6.610 ( -25.080 -11.487 -1.344) 27.618 7.196 ( 11.644 -3.643 -4.041) 12.852 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -2.271 5.135 4.820) 7.400 1.194 ( -1.127 1.934 -1.100) 2.494 1.313 ( 6.407 9.690 -0.252) 11.620 2.489 ( 8.008 9.894 -2.089) 12.899 2.651 ( 5.156 14.779 3.186) 15.973 3.478 ( 9.153 10.133 -0.235) 13.657 3.868 ( 0.374 1.309 -0.996) 1.686 4.187 ( -3.591 -11.490 -1.014) 12.080 4.856 ( 1.292 -1.192 -0.836) 1.947 5.308 ( -0.255 3.476 0.988) 3.622 6.114 ( -24.024 -1.519 0.386) 24.075 7.324 ( 11.102 -8.056 -2.975) 14.036 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -2.633 1.164 1.212) 3.123 1.213 ( -0.645 3.809 0.358) 3.880 1.496 ( 4.167 5.802 0.444) 7.157 2.705 ( 6.058 8.592 0.908) 10.552 2.896 ( 4.603 16.384 -0.237) 17.020 3.688 ( 6.116 4.677 3.820) 8.595 3.821 ( -4.468 -5.309 0.609) 6.966 4.036 ( -2.527 -3.166 -1.608) 4.358 4.868 ( 2.409 -1.672 -1.275) 3.198 5.337 ( 0.035 1.843 0.646) 1.954 5.781 ( -18.465 7.410 1.098) 19.927 7.395 ( 8.816 -10.159 -3.894) 14.004 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -1.019 0.671 -0.265) 1.248 1.236 ( -1.226 3.641 0.493) 3.873 1.553 ( -0.212 0.131 -2.225) 2.239 2.830 ( 0.602 3.256 1.448) 3.614 3.108 ( 0.138 16.300 -2.332) 16.466 3.677 ( -2.407 -4.290 4.543) 6.696 3.842 ( 5.162 1.800 3.908) 6.720 3.998 ( -2.757 1.745 0.958) 3.400 4.906 ( 4.288 -1.675 -0.210) 4.608 5.340 ( -0.338 -0.891 0.450) 1.054 5.626 ( -12.881 14.193 -0.025) 19.167 7.403 ( 6.415 -11.517 -5.025) 14.108 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 1.450 0.698 -1.016) 1.904 1.245 ( -1.605 2.630 0.966) 3.229 1.512 ( -1.498 -2.221 -2.380) 3.584 2.813 ( -2.919 -1.854 1.405) 3.733 3.153 ( -9.134 9.142 -1.517) 13.012 3.686 ( 1.631 1.675 2.936) 3.754 3.914 ( -1.797 1.814 1.342) 2.885 3.997 ( 3.149 -0.021 3.850) 4.974 4.958 ( 2.184 -1.915 0.172) 2.910 5.333 ( 0.621 0.139 0.245) 0.682 5.610 ( -7.222 18.402 -0.028) 19.769 7.369 ( 5.635 -12.549 -5.023) 14.645 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 15.766 -6.267) 16.966 1.065 ( -0.000 1.218 -0.908) 1.519 1.437 ( -0.000 -2.284 -1.379) 2.668 1.945 ( 0.000 13.652 -0.337) 13.656 2.275 ( -0.000 3.904 -5.864) 7.045 2.569 ( 0.000 23.885 3.071) 24.081 3.715 ( 0.000 -0.066 0.462) 0.467 4.243 ( 0.000 4.997 6.371) 8.097 4.859 ( -0.000 -4.192 1.806) 4.564 5.279 ( -0.000 -1.859 -0.554) 1.940 6.690 ( -0.000 -1.242 -2.714) 2.984 7.632 ( -0.000 -13.358 -7.739) 15.437 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -1.552 3.934 -4.373) 6.084 1.151 ( 0.150 11.230 -6.026) 12.745 1.365 ( -3.341 -3.048 -2.631) 5.232 2.091 ( 1.632 13.935 -1.078) 14.072 2.339 ( 2.413 8.088 -3.629) 9.187 2.852 ( 4.904 22.695 0.185) 23.220 3.747 ( 2.597 0.786 -0.107) 2.716 4.303 ( 0.055 1.444 6.121) 6.289 4.828 ( 0.212 -3.365 2.591) 4.252 5.267 ( 0.857 -0.884 -0.121) 1.237 6.682 ( 7.638 -15.577 0.832) 17.368 7.416 ( -11.411 -3.295 -8.397) 14.545 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 2.206 4.873 -2.101) 5.747 1.231 ( -0.350 9.817 -6.370) 11.708 1.283 ( -2.976 -1.204 -0.101) 3.212 2.267 ( 4.093 12.534 -2.532) 13.426 2.496 ( 4.451 12.200 0.865) 13.016 3.165 ( 7.457 18.818 -1.769) 20.319 3.803 ( 2.702 1.508 -1.730) 3.546 4.279 ( -2.655 -5.376 3.566) 6.976 4.821 ( 0.865 -1.498 2.220) 2.815 5.294 ( 1.586 1.329 0.773) 2.209 6.600 ( 4.181 -23.349 -0.805) 23.734 7.195 ( -11.025 4.541 -4.082) 12.603 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 3.124 1.399 2.083) 4.007 1.228 ( -2.448 1.151 1.826) 3.264 1.336 ( 2.666 11.190 -3.788) 12.111 2.467 ( 6.301 11.862 -2.461) 13.655 2.725 ( 5.586 14.869 2.767) 16.123 3.450 ( 7.158 13.652 -1.280) 15.467 3.857 ( 2.229 1.958 -2.180) 3.682 4.136 ( -4.685 -10.723 0.562) 11.716 4.829 ( 0.594 -0.746 0.150) 0.966 5.335 ( 0.569 1.920 0.830) 2.167 6.377 ( -8.073 -11.174 -1.685) 13.888 7.119 ( 0.676 -2.332 -0.572) 2.494 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -2.107 -1.180 0.737) 2.525 1.269 ( -0.135 4.339 2.034) 4.794 1.491 ( 3.731 6.348 0.502) 7.380 2.700 ( 6.710 11.757 0.527) 13.547 2.985 ( 5.577 17.052 1.509) 18.005 3.660 ( 4.858 7.433 1.295) 8.974 3.859 ( -4.922 -3.301 0.186) 5.929 3.981 ( 1.703 -5.843 -3.729) 7.138 4.826 ( 0.485 -1.166 -1.127) 1.693 5.348 ( -0.371 0.062 0.510) 0.634 6.147 ( -13.460 3.964 0.198) 14.033 7.130 ( 6.942 -9.654 -1.332) 11.965 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -1.856 -0.426 0.471) 1.961 1.305 ( -1.298 4.297 1.777) 4.827 1.555 ( -0.063 0.252 -0.619) 0.671 2.872 ( 1.083 5.913 2.770) 6.618 3.260 ( 3.698 20.357 -0.773) 20.705 3.698 ( -4.024 -4.467 3.375) 6.895 3.790 ( 3.401 1.662 1.149) 3.956 4.007 ( 2.525 0.141 -2.903) 3.850 4.828 ( 2.234 -1.706 -0.628) 2.880 5.332 ( -0.388 -1.797 0.245) 1.855 6.005 ( -13.464 13.448 0.696) 19.042 7.139 ( 7.772 -13.310 -2.870) 15.678 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -0.667 0.178 0.190) 0.716 1.318 ( -2.474 3.613 2.097) 4.855 1.513 ( -1.968 -2.652 -1.360) 3.571 2.872 ( -4.058 -0.432 3.323) 5.262 3.409 ( -7.686 13.364 -0.748) 15.435 3.682 ( 1.749 2.878 0.763) 3.453 3.869 ( 5.122 -0.675 2.706) 5.832 4.018 ( -0.929 0.458 -1.472) 1.800 4.874 ( 4.740 -1.573 0.044) 4.995 5.315 ( 0.701 -1.175 -0.307) 1.402 5.953 ( -10.771 17.969 0.500) 20.956 7.113 ( 6.703 -14.900 -3.193) 16.648 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -0.000 0.767 -2.523) 2.637 1.244 ( -0.000 10.565 -10.469) 14.874 1.340 ( -0.000 -4.057 -4.500) 6.059 2.214 ( 0.000 14.110 -2.484) 14.327 2.374 ( 0.000 8.519 -5.338) 10.053 3.047 ( 0.000 23.038 -0.659) 23.047 3.743 ( 0.000 2.065 2.299) 3.090 4.343 ( 0.000 0.614 6.202) 6.232 4.805 ( 0.000 -2.326 3.612) 4.296 5.235 ( -0.000 -1.990 -1.100) 2.274 6.435 ( -0.000 -22.065 1.599) 22.123 7.476 ( -0.000 0.800 -6.840) 6.887 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 1.169 1.640 -2.265) 3.031 1.255 ( 0.491 -1.796 -7.959) 8.174 1.335 ( -0.793 7.071 -4.359) 8.345 2.343 ( 0.739 12.761 -3.077) 13.147 2.506 ( 5.950 10.157 -3.601) 12.309 3.279 ( 2.207 20.309 -1.791) 20.507 3.786 ( 1.228 2.570 1.583) 3.259 4.309 ( -4.124 -4.434 4.243) 7.394 4.809 ( 0.415 -0.006 3.514) 3.539 5.251 ( 3.678 -0.478 -0.515) 3.745 6.253 ( 5.503 -24.433 -0.463) 25.049 7.408 ( -8.154 3.310 -2.845) 9.248 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 3.745 1.114 1.134) 4.069 1.237 ( 1.399 -1.143 -2.480) 3.068 1.395 ( 0.779 8.087 -3.923) 9.022 2.494 ( 3.812 12.380 -2.500) 13.193 2.735 ( 8.679 11.392 -1.811) 14.435 3.503 ( 3.413 15.717 -1.872) 16.192 3.837 ( 1.533 2.117 0.382) 2.641 4.150 ( -7.090 -8.610 1.507) 11.255 4.825 ( -0.134 0.588 1.382) 1.508 5.324 ( 3.122 1.418 -0.026) 3.429 6.150 ( 9.295 -20.401 -1.920) 22.501 7.265 ( -11.450 3.188 0.867) 11.917 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.106 -2.108 0.584) 2.190 1.287 ( 2.838 2.463 0.040) 3.758 1.495 ( 2.762 5.299 0.189) 5.978 2.707 ( 6.576 12.604 -0.398) 14.222 3.010 ( 9.875 13.162 -0.802) 16.474 3.680 ( 2.680 9.490 -0.898) 9.902 3.879 ( 2.339 -1.574 -1.734) 3.310 3.937 ( -7.721 -5.782 0.535) 9.661 4.820 ( -0.809 -0.017 -0.512) 0.958 5.355 ( -0.278 -0.115 -0.170) 0.345 6.161 ( 9.100 -9.313 -1.292) 13.085 7.100 ( -9.566 -0.329 1.921) 9.763 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -0.914 -1.512 0.210) 1.779 1.350 ( 1.231 3.036 0.434) 3.305 1.553 ( 0.349 -0.098 0.599) 0.700 2.906 ( 3.342 6.628 1.141) 7.510 3.339 ( 10.391 18.223 0.035) 20.977 3.737 ( -3.244 -4.382 1.777) 5.735 3.776 ( -0.253 1.790 -2.259) 2.893 3.942 ( 2.391 1.385 -1.132) 2.986 4.800 ( -0.576 -0.812 -0.625) 1.175 5.327 ( -1.206 -1.924 -0.049) 2.271 6.236 ( 1.967 4.129 -0.057) 4.574 6.953 ( -3.261 -7.423 0.262) 8.112 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.833 -0.782 0.155) 1.153 1.391 ( -0.571 3.342 1.310) 3.635 1.514 ( -2.044 -3.585 -0.559) 4.164 2.938 ( -2.558 -0.702 1.954) 3.295 3.648 ( -2.523 13.785 1.023) 14.051 3.694 ( 2.471 6.636 -0.802) 7.127 3.789 ( 2.638 -1.963 1.481) 3.606 3.979 ( 3.025 -1.992 -2.382) 4.335 4.798 ( 1.983 -1.032 0.067) 2.236 5.293 ( -0.156 -1.711 -0.164) 1.726 6.289 ( -6.820 14.497 0.640) 16.034 6.850 ( 4.256 -14.415 -1.380) 15.093 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( -0.000 1.094 -1.667) 1.994 1.184 ( -0.000 -4.087 -8.429) 9.368 1.395 ( -0.000 6.272 -4.736) 7.860 2.464 ( 0.000 12.676 -2.943) 13.013 2.519 ( 0.000 8.620 -4.420) 9.688 3.449 ( 0.000 18.197 -2.701) 18.396 3.815 ( 0.000 3.362 2.469) 4.171 4.309 ( -0.000 -7.088 2.929) 7.669 4.834 ( 0.000 3.055 3.980) 5.017 5.192 ( -0.000 -1.719 -0.727) 1.866 5.968 ( -0.000 -22.605 -1.458) 22.652 7.501 ( 0.000 2.520 -0.272) 2.534 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 2.195 0.849 0.194) 2.362 1.159 ( 3.368 -2.612 -4.876) 6.476 1.439 ( 0.407 5.066 -3.034) 5.919 2.563 ( 0.931 11.064 -2.258) 11.331 2.677 ( 7.563 8.952 -3.451) 12.217 3.612 ( 0.988 14.435 -2.733) 14.725 3.853 ( -0.040 2.650 1.589) 3.090 4.180 ( -5.148 -9.153 0.177) 10.503 4.863 ( -1.783 3.191 2.195) 4.264 5.249 ( 6.581 0.610 -0.132) 6.611 5.801 ( 5.578 -19.276 -2.024) 20.169 7.464 ( -7.076 2.037 2.365) 7.734 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 1.753 -2.140 0.038) 2.766 1.225 ( 5.391 1.022 -1.341) 5.649 1.499 ( 1.877 3.323 0.354) 3.833 2.721 ( 5.015 10.586 -0.874) 11.746 2.918 ( 11.640 9.042 -2.398) 14.933 3.740 ( 0.722 8.559 -1.640) 8.744 3.850 ( -1.832 -2.189 -2.061) 3.521 4.013 ( -4.740 -3.071 0.261) 5.654 4.855 ( -2.334 1.971 0.144) 3.058 5.347 ( 1.929 0.937 -0.489) 2.200 5.802 ( 14.944 -13.358 -1.076) 20.073 7.324 ( -11.919 1.394 3.652) 12.544 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.469 -1.839 -0.123) 1.902 1.319 ( 4.388 1.228 -1.403) 4.768 1.545 ( 0.707 -0.481 1.652) 1.860 2.890 ( 4.732 4.537 -1.237) 6.671 3.256 ( 15.832 12.295 -0.056) 20.046 3.719 ( -2.165 -5.660 -1.513) 6.246 3.814 ( -1.608 4.325 -4.207) 6.245 3.982 ( -1.582 2.951 2.809) 4.371 4.827 ( -2.588 1.337 -0.514) 2.958 5.334 ( -1.592 -1.457 -0.290) 2.178 6.010 ( 18.478 -5.108 -0.574) 19.179 7.113 ( -14.435 -0.257 3.022) 14.750 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.000 -2.497 -2.787) 3.742 1.096 ( 0.000 1.356 0.241) 1.377 1.468 ( 0.000 3.071 -1.267) 3.322 2.657 ( 0.000 7.288 -2.357) 7.660 2.674 ( 0.000 9.705 -1.332) 9.796 3.725 ( 0.000 11.228 -2.585) 11.522 3.885 ( 0.000 2.392 0.513) 2.446 4.120 ( -0.000 -10.420 -3.682) 11.051 4.942 ( 0.000 5.223 1.565) 5.453 5.164 ( -0.000 -1.017 0.598) 1.180 5.589 ( -0.000 -13.969 -2.094) 14.125 7.548 ( 0.000 0.861 4.178) 4.266 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 1.778 -1.436 -0.368) 2.315 1.149 ( 4.035 1.352 0.789) 4.328 1.500 ( 1.032 1.643 1.413) 2.400 2.740 ( 2.555 7.031 -0.642) 7.508 2.824 ( 7.405 7.508 -0.392) 10.553 3.799 ( -0.949 2.834 -0.507) 3.032 3.877 ( -2.389 1.586 -4.375) 5.231 4.013 ( -0.156 -3.836 -4.755) 6.111 4.939 ( -4.016 3.555 0.151) 5.366 5.274 ( 9.080 1.594 0.567) 9.237 5.492 ( 4.373 -10.986 -1.105) 11.876 7.509 ( -6.703 0.292 5.263) 8.528 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 1.499 -1.038 -0.084) 1.825 1.241 ( 4.793 0.817 -0.555) 4.894 1.531 ( 0.770 -0.763 2.731) 2.938 2.843 ( 3.511 2.036 -1.354) 4.279 3.090 ( 14.210 7.578 1.782) 16.203 3.712 ( -3.119 -4.006 -3.328) 6.070 3.882 ( -1.788 5.463 -5.093) 7.680 4.004 ( 1.039 -0.355 -0.620) 1.261 4.907 ( -3.712 3.325 -0.417) 5.001 5.344 ( -0.791 -0.994 -0.339) 1.315 5.625 ( 19.078 -4.429 0.213) 19.586 7.359 ( -12.360 -0.394 4.860) 13.287 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.000 1.192 2.222) 2.521 1.128 ( 0.000 1.156 1.732) 2.082 1.509 ( 0.000 0.620 3.251) 3.310 2.776 ( 0.000 5.011 0.904) 5.092 2.825 ( 0.000 5.340 1.205) 5.474 3.805 ( -0.000 -4.505 -2.449) 5.128 3.897 ( -0.000 -0.838 -2.410) 2.551 3.974 ( -0.000 4.556 -10.688) 11.619 5.029 ( 0.000 3.049 -1.102) 3.242 5.162 ( 0.000 0.056 2.063) 2.064 5.389 ( -0.000 -5.876 -0.934) 5.950 7.585 ( 0.000 -0.205 6.440) 6.443 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -0.321 1.737 1.899) 2.594 1.181 ( 3.367 1.144 1.284) 3.780 1.525 ( 0.213 -0.711 4.167) 4.232 2.820 ( 0.591 1.147 0.917) 1.583 2.952 ( 8.700 3.330 2.637) 9.681 3.715 ( -2.334 -2.934 -5.461) 6.624 3.898 ( 2.162 -1.758 -3.161) 4.214 3.998 ( -1.052 5.441 -7.336) 9.194 4.998 ( -3.506 2.018 -0.835) 4.130 5.307 ( 12.751 0.926 1.141) 12.835 5.345 ( 0.545 -3.216 -0.444) 3.292 7.540 ( -7.084 -0.477 6.394) 9.554 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 4.463 2.111) 4.937 1.157 ( 0.000 0.489 2.092) 2.149 1.531 ( 0.000 -0.866 4.954) 5.029 2.843 ( 0.000 0.072 2.361) 2.362 2.883 ( 0.000 -1.195 2.565) 2.829 3.693 ( -0.000 -1.323 -6.466) 6.600 3.832 ( -0.000 -3.335 -3.820) 5.071 4.057 ( -0.000 7.262 -7.890) 10.723 5.031 ( -0.000 -2.984 -1.228) 3.227 5.185 ( 0.000 0.727 2.394) 2.502 5.341 ( 0.000 2.487 -1.302) 2.808 7.620 ( 0.000 -0.039 6.865) 6.866 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.000 -0.000 16.624) 16.624 0.723 ( 0.000 -0.000 16.624) 16.624 1.280 ( 0.000 -0.000 34.592) 34.592 1.478 ( 0.000 0.000 -1.463) 1.463 1.478 ( -0.000 0.000 -1.463) 1.463 3.028 ( -0.000 0.000 -18.004) 18.004 3.809 ( 0.000 0.000 -2.357) 2.357 3.809 ( 0.000 0.000 -2.357) 2.357 5.108 ( 0.000 -0.000 1.987) 1.987 5.316 ( 0.000 -0.000 0.988) 0.988 5.316 ( 0.000 -0.000 0.988) 0.988 8.591 ( -0.000 0.000 -0.596) 0.596 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -2.764 -1.596 17.974) 18.255 0.795 ( -3.445 -1.989 19.421) 19.824 1.344 ( 0.891 0.514 10.739) 10.788 1.497 ( 2.675 1.544 -0.779) 3.186 1.757 ( 17.694 10.216 8.302) 22.054 2.603 ( -20.911 -12.073 -6.737) 25.069 3.819 ( 0.406 0.234 -2.393) 2.438 3.944 ( 9.383 5.417 -0.479) 10.845 5.014 ( -2.949 -1.703 0.050) 3.406 5.289 ( -1.699 -0.981 1.131) 2.264 5.946 ( 37.136 21.440 -16.769) 46.043 8.392 ( -16.459 -9.502 1.542) 19.067 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 3.306 1.908 13.518) 14.047 0.747 ( -4.930 -2.846 18.762) 19.607 1.379 ( -0.344 -0.199 0.401) 0.564 1.600 ( 6.484 3.743 1.183) 7.580 2.143 ( 7.671 4.429 -4.928) 10.137 2.310 ( 3.956 2.284 2.912) 5.417 3.816 ( 0.066 0.038 -2.421) 2.422 4.179 ( 10.135 5.851 3.469) 12.206 4.957 ( -2.219 -1.281 -0.608) 2.633 5.250 ( -1.886 -1.089 1.296) 2.534 6.625 ( 26.044 15.036 -20.291) 36.278 7.908 ( -25.357 -14.640 3.604) 29.501 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -1.077 -0.622 10.389) 10.463 0.848 ( 5.318 3.071 6.517) 8.955 1.327 ( -2.955 -1.706 -2.541) 4.255 1.804 ( 10.729 6.195 2.956) 12.737 2.177 ( 4.139 2.389 -3.720) 6.056 2.673 ( 18.213 10.515 -0.178) 21.031 3.813 ( 0.341 0.197 -2.092) 2.129 4.390 ( 6.744 3.894 3.016) 8.351 4.911 ( -1.545 -0.892 -0.202) 1.795 5.215 ( -1.449 -0.837 1.223) 2.072 6.957 ( 0.636 0.367 -14.049) 14.068 7.368 ( -14.516 -8.381 3.382) 17.099 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 7.120 4.111 5.533) 9.910 0.972 ( 4.404 2.543 1.685) 5.358 1.266 ( -1.549 -0.894 -0.779) 1.951 2.093 ( 13.319 7.690 2.813) 15.635 2.307 ( 7.045 4.067 -1.527) 8.277 3.071 ( 16.560 9.561 -1.676) 19.196 3.823 ( 0.960 0.554 -1.193) 1.629 4.477 ( 0.035 0.020 0.228) 0.232 4.890 ( -0.219 -0.126 -0.255) 0.359 5.193 ( -0.711 -0.410 0.716) 1.089 6.476 ( -27.991 -16.161 -0.135) 32.322 7.427 ( 8.283 4.782 -4.830) 10.715 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 6.849 3.954 2.019) 8.162 1.059 ( 3.131 1.808 -0.655) 3.674 1.278 ( 3.539 2.043 2.634) 4.861 2.403 ( 12.877 7.435 1.162) 14.915 2.470 ( 7.388 4.265 -0.614) 8.553 3.408 ( 13.105 7.566 0.088) 15.133 3.848 ( 1.233 0.712 0.223) 1.441 4.373 ( -9.348 -5.397 -1.268) 10.868 4.903 ( 1.588 0.917 -0.775) 1.991 5.185 ( -0.118 -0.068 -0.254) 0.288 5.896 ( -21.583 -12.461 3.106) 25.114 7.571 ( 5.312 3.067 -4.670) 7.709 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 1.001 0.578 -2.059) 2.361 1.114 ( 2.061 1.190 -1.692) 2.920 1.434 ( 7.089 4.093 1.951) 8.415 2.638 ( 7.360 4.250 -0.243) 8.502 2.668 ( 9.930 5.733 -0.678) 11.487 3.669 ( 9.446 5.454 3.280) 11.390 3.873 ( 0.470 0.271 1.911) 1.987 4.073 ( -15.134 -8.737 1.642) 17.552 4.956 ( 2.920 1.686 -0.032) 3.372 5.183 ( 0.132 0.076 -1.479) 1.487 5.539 ( -10.898 -6.292 3.160) 12.975 7.640 ( 2.135 1.232 -5.606) 6.124 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 1.464 0.845 -2.868) 3.329 1.145 ( 1.167 0.674 -2.096) 2.491 1.539 ( 2.055 1.186 -3.634) 4.340 2.788 ( 5.299 3.059 -1.586) 6.321 2.840 ( 5.225 3.017 -2.053) 6.373 3.777 ( -8.007 -4.623 4.116) 10.121 3.872 ( -1.359 -0.785 3.372) 3.719 3.883 ( 5.985 3.455 9.552) 11.790 5.019 ( 2.097 1.210 1.201) 2.703 5.182 ( 0.301 0.174 -2.397) 2.422 5.379 ( -4.552 -2.628 1.476) 5.460 7.644 ( 0.093 0.054 -6.818) 6.819 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 -5.812 19.121) 19.985 0.941 ( 0.000 5.510 8.781) 10.367 1.396 ( 0.000 0.891 9.576) 9.617 1.533 ( 0.000 5.855 -0.898) 5.924 1.730 ( 0.000 15.926 14.196) 21.335 2.610 ( -0.000 -20.005 -9.800) 22.276 3.766 ( -0.000 -1.729 -1.809) 2.503 3.942 ( 0.000 8.916 -0.471) 8.929 5.008 ( -0.000 -4.114 0.214) 4.119 5.328 ( 0.000 -0.288 0.533) 0.606 5.863 ( 0.000 37.614 -12.638) 39.680 8.411 ( -0.000 -16.283 0.401) 16.288 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 1.223 0.957 13.757) 13.845 0.963 ( -5.139 4.606 8.976) 11.322 1.404 ( -2.291 1.045 3.692) 4.469 1.603 ( 1.264 8.825 0.913) 8.961 2.056 ( 11.113 15.038 5.333) 19.444 2.330 ( -6.693 -8.584 -5.420) 12.160 3.779 ( 2.580 -1.725 -2.127) 3.762 4.092 ( 6.933 7.568 2.716) 10.617 4.962 ( -1.021 -3.007 -0.300) 3.190 5.294 ( -2.724 -0.097 0.851) 2.856 6.358 ( 19.136 25.478 -15.722) 35.531 8.097 ( -14.757 -19.936 1.018) 24.825 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.051 3.377 4.933) 5.978 0.950 ( -4.594 6.667 8.650) 11.848 1.354 ( -3.381 -1.652 -0.912) 3.872 1.762 ( 5.288 10.833 2.761) 12.367 2.165 ( -0.512 3.963 -4.112) 5.733 2.499 ( 15.480 12.696 1.168) 20.055 3.793 ( 1.353 -0.506 -2.588) 2.963 4.297 ( 8.080 3.581 3.442) 9.484 4.916 ( -0.993 -2.415 -0.123) 2.614 5.254 ( -2.349 0.381 1.377) 2.749 6.819 ( 15.544 13.624 -13.644) 24.767 7.569 ( -21.873 -20.863 2.363) 30.320 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 1.801 8.051 2.334) 8.574 0.997 ( -0.766 6.718 4.879) 8.338 1.281 ( -2.290 -1.717 -0.421) 2.893 2.007 ( 8.956 11.581 2.949) 14.934 2.256 ( 4.504 6.889 -0.654) 8.257 2.897 ( 15.736 12.861 -1.669) 20.391 3.807 ( 1.205 0.657 -2.314) 2.691 4.421 ( 4.120 -2.051 0.855) 4.682 4.885 ( -0.232 -1.583 -0.050) 1.600 5.232 ( -1.901 1.741 1.398) 2.932 6.815 ( -25.207 -8.346 -4.633) 26.954 7.254 ( 10.293 -4.305 -1.647) 11.278 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 4.125 10.368 5.531) 12.454 1.065 ( 0.572 5.662 0.562) 5.718 1.254 ( 1.151 -0.290 1.475) 1.894 2.292 ( 10.528 9.943 0.930) 14.511 2.423 ( 5.616 8.804 1.454) 10.543 3.266 ( 13.709 10.817 -0.812) 17.481 3.835 ( 1.398 1.378 -1.331) 2.371 4.390 ( -2.020 -8.116 -1.301) 8.464 4.876 ( 0.847 -0.902 -1.029) 1.609 5.231 ( -1.723 3.635 0.779) 4.097 6.225 ( -27.716 -9.377 1.178) 29.283 7.422 ( 10.700 -2.530 -3.621) 11.576 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -1.264 2.702 2.671) 4.005 1.128 ( -0.022 4.741 -2.129) 5.198 1.374 ( 6.817 5.616 3.626) 9.548 2.546 ( 9.053 6.991 -0.397) 11.445 2.628 ( 5.724 11.278 1.827) 12.779 3.567 ( 10.596 7.617 2.025) 13.206 3.866 ( 0.789 0.498 0.264) 0.969 4.191 ( -8.821 -10.713 -0.788) 13.899 4.894 ( 2.907 -1.114 -1.225) 3.346 5.248 ( -1.831 5.803 -0.100) 6.086 5.755 ( -19.744 -3.840 2.829) 20.312 7.529 ( 7.172 -4.379 -4.523) 9.543 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.887 0.823 -0.541) 1.325 1.160 ( -0.406 3.777 -1.491) 4.081 1.511 ( 2.641 3.001 -1.176) 4.167 2.736 ( 5.316 5.711 0.218) 7.805 2.827 ( 4.065 10.877 -0.966) 11.652 3.789 ( 6.005 3.563 2.306) 7.354 3.830 ( -2.025 -6.552 5.460) 8.766 3.980 ( -5.781 -0.507 3.047) 6.555 4.941 ( 4.468 -1.951 -0.272) 4.883 5.279 ( -2.573 8.001 -0.671) 8.431 5.480 ( -11.288 -0.733 1.601) 11.424 7.559 ( 4.250 -5.712 -5.900) 9.246 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.000 7.699 8.143) 11.206 1.036 ( 0.000 1.714 1.025) 1.997 1.455 ( 0.000 0.595 1.728) 1.828 1.698 ( 0.000 10.885 -0.677) 10.906 2.150 ( 0.000 18.934 9.742) 21.293 2.284 ( -0.000 -6.771 -9.069) 11.318 3.728 ( -0.000 -1.174 -0.237) 1.197 4.127 ( 0.000 8.414 3.967) 9.302 4.937 ( -0.000 -3.408 0.247) 3.417 5.311 ( -0.000 -1.437 -0.372) 1.484 6.418 ( 0.000 24.528 -10.323) 26.611 8.009 ( -0.000 -22.806 -1.731) 22.871 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -2.154 9.501 -0.451) 9.753 1.049 ( -0.274 2.248 0.435) 2.306 1.409 ( -4.121 -1.708 -1.031) 4.578 1.827 ( 2.016 12.505 0.464) 12.675 2.217 ( -0.972 2.591 -5.420) 6.086 2.439 ( 8.279 18.747 3.646) 20.816 3.745 ( 2.292 -0.622 -0.762) 2.494 4.250 ( 3.620 5.609 5.111) 8.407 4.901 ( -0.470 -3.194 0.751) 3.314 5.286 ( -0.910 -0.909 0.022) 1.286 6.690 ( 10.551 13.406 -6.244) 18.167 7.662 ( -12.971 -21.767 -3.201) 25.540 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.679 10.252 -6.189) 11.995 1.086 ( -0.084 4.713 1.511) 4.950 1.317 ( -3.613 -1.776 0.068) 4.027 2.016 ( 5.102 12.540 0.897) 13.568 2.283 ( 2.385 9.109 -0.238) 9.419 2.798 ( 11.834 17.287 -0.778) 20.964 3.777 ( 2.043 0.461 -1.977) 2.880 4.349 ( 2.489 -0.542 3.103) 4.014 4.869 ( -0.147 -2.404 1.025) 2.617 5.274 ( -0.509 0.910 0.917) 1.388 6.962 ( 13.590 1.150 -2.555) 13.876 7.154 ( -22.142 -15.766 -3.625) 27.422 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 5.373 13.443 -1.026) 14.513 1.136 ( -0.451 5.320 1.399) 5.520 1.254 ( -2.098 -1.577 1.407) 2.978 2.241 ( 7.412 10.727 -0.508) 13.048 2.457 ( 4.373 12.646 3.049) 13.724 3.162 ( 12.168 14.625 -1.372) 19.074 3.815 ( 1.989 1.533 -2.219) 3.351 4.326 ( -1.056 -7.576 0.213) 7.652 4.853 ( 0.237 -1.480 0.051) 1.500 5.289 ( -0.468 2.828 1.120) 3.078 6.600 ( -24.472 -11.378 -0.869) 27.001 7.168 ( 11.902 -3.114 -2.223) 12.502 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -3.419 2.553 2.101) 4.756 1.182 ( -0.688 5.266 0.062) 5.311 1.326 ( 7.727 8.007 2.852) 11.487 2.477 ( 8.486 9.967 -0.659) 13.107 2.682 ( 4.471 14.443 3.604) 15.543 3.480 ( 10.243 10.539 0.585) 14.708 3.857 ( 1.300 1.505 -1.414) 2.440 4.176 ( -4.164 -11.747 -1.368) 12.538 4.847 ( 0.880 -1.210 -1.114) 1.865 5.316 ( -0.459 3.487 0.807) 3.608 6.121 ( -23.105 -1.908 1.149) 23.212 7.299 ( 10.385 -7.553 -2.719) 13.126 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -3.043 0.624 0.905) 3.235 1.217 ( -1.229 4.958 0.582) 5.141 1.499 ( 3.189 4.753 0.195) 5.727 2.713 ( 6.546 9.552 0.877) 11.613 2.901 ( 3.071 15.416 1.320) 15.775 3.719 ( 7.668 5.752 3.048) 10.059 3.832 ( -3.736 -5.426 1.773) 6.822 4.021 ( -1.211 -4.122 -1.453) 4.535 4.859 ( 2.626 -1.564 -0.784) 3.155 5.342 ( -0.074 1.975 0.641) 2.077 5.792 ( -18.621 6.844 1.182) 19.874 7.359 ( 7.944 -9.765 -4.125) 13.247 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 11.804 -4.599) 12.668 1.049 ( -0.000 0.643 -2.807) 2.880 1.411 ( -0.000 -3.890 -4.508) 5.954 1.932 ( 0.000 13.317 -2.380) 13.528 2.222 ( -0.000 4.470 -5.856) 7.367 2.599 ( 0.000 21.935 3.564) 22.223 3.724 ( 0.000 0.445 1.687) 1.745 4.299 ( 0.000 5.477 6.261) 8.319 4.875 ( -0.000 -3.331 1.752) 3.764 5.271 ( -0.000 -1.988 -1.202) 2.323 6.681 ( 0.000 2.675 0.581) 2.737 7.566 ( -0.000 -15.835 -7.303) 17.438 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -2.982 7.201 -8.484) 11.521 1.109 ( 2.131 5.924 -3.736) 7.320 1.338 ( -1.721 -3.350 -3.434) 5.096 2.078 ( 2.228 13.092 -1.962) 13.424 2.307 ( 4.127 8.387 -3.574) 10.008 2.858 ( 4.071 21.425 1.017) 21.832 3.751 ( 1.309 1.242 1.088) 2.107 4.354 ( -0.755 1.310 5.239) 5.453 4.850 ( -0.026 -2.593 2.363) 3.508 5.264 ( 1.522 -0.967 -0.689) 1.931 6.697 ( 7.108 -15.227 2.678) 17.017 7.346 ( -10.829 -2.523 -7.204) 13.249 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 4.363 8.712 -3.104) 10.226 1.185 ( 0.943 6.857 -4.175) 8.083 1.278 ( -1.751 -1.718 -0.946) 2.629 2.249 ( 4.183 11.637 -1.487) 12.455 2.496 ( 6.561 11.803 -0.810) 13.528 3.155 ( 7.053 18.507 -0.646) 19.816 3.794 ( 1.636 1.930 -0.185) 2.536 4.305 ( -3.835 -5.567 2.452) 7.191 4.839 ( 0.080 -1.341 1.653) 2.130 5.298 ( 2.055 1.163 0.119) 2.364 6.595 ( 3.254 -24.548 -0.285) 24.764 7.167 ( -9.773 6.623 -2.159) 12.002 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 1.432 -0.007 1.162) 1.844 1.241 ( -0.420 1.217 0.867) 1.552 1.308 ( 5.356 12.619 -2.040) 13.860 2.452 ( 6.695 11.915 -0.873) 13.695 2.742 ( 6.853 13.831 1.053) 15.472 3.443 ( 7.669 13.712 -0.466) 15.718 3.844 ( 1.816 2.296 -0.820) 3.040 4.140 ( -5.788 -10.891 0.218) 12.336 4.830 ( -0.169 -0.892 0.039) 0.908 5.340 ( 0.753 1.640 0.296) 1.829 6.366 ( -7.255 -11.574 -0.597) 13.672 7.116 ( 0.015 -1.215 -0.194) 1.231 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -1.996 -1.204 0.063) 2.332 1.282 ( 0.025 4.069 1.013) 4.194 1.494 ( 3.748 6.107 0.237) 7.169 2.704 ( 7.537 12.489 0.393) 14.592 2.999 ( 5.511 15.917 1.554) 16.915 3.671 ( 6.195 7.639 1.192) 9.907 3.866 ( -4.136 -1.931 1.211) 4.723 3.952 ( 0.621 -7.508 -2.663) 7.991 4.819 ( 0.357 -1.111 -0.323) 1.211 5.352 ( -0.223 -0.197 0.391) 0.491 6.151 ( -12.849 3.665 0.787) 13.385 7.116 ( 5.668 -8.895 -1.761) 10.693 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.000 1.134 -3.042) 3.247 1.133 ( -0.000 8.143 -14.211) 16.378 1.306 ( -0.000 -1.905 -3.418) 3.913 2.187 ( 0.000 14.025 -3.506) 14.457 2.334 ( 0.000 8.519 -3.783) 9.321 3.044 ( 0.000 21.504 0.109) 21.504 3.765 ( 0.000 2.251 2.660) 3.485 4.395 ( 0.000 -0.035 5.613) 5.613 4.836 ( 0.000 -1.662 3.393) 3.778 5.224 ( -0.000 -1.870 -1.343) 2.303 6.449 ( -0.000 -23.758 1.656) 23.815 7.425 ( -0.000 3.332 -4.617) 5.694 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 1.746 3.426 -2.351) 4.507 1.175 ( 3.229 1.563 -9.581) 10.230 1.300 ( -0.867 4.262 -3.525) 5.599 2.319 ( 1.077 12.631 -2.292) 12.883 2.473 ( 6.610 10.021 -3.724) 12.569 3.267 ( 2.310 19.286 -0.947) 19.447 3.802 ( 0.506 2.709 2.049) 3.434 4.344 ( -4.810 -5.393 3.679) 8.109 4.838 ( -0.210 0.012 3.036) 3.043 5.245 ( 4.032 -0.331 -0.741) 4.113 6.246 ( 5.196 -25.714 -0.971) 26.252 7.392 ( -7.669 5.436 -0.542) 9.416 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 4.352 1.126 2.061) 4.945 1.211 ( 3.291 -0.899 -3.530) 4.909 1.358 ( 1.676 9.793 -4.178) 10.778 2.478 ( 4.113 12.484 -0.963) 13.179 2.712 ( 9.803 10.940 -3.158) 15.025 3.488 ( 3.727 15.114 -1.355) 15.626 3.845 ( 0.808 2.311 1.296) 2.770 4.163 ( -7.682 -9.424 1.519) 12.253 4.836 ( -0.958 0.182 1.279) 1.608 5.321 ( 3.248 1.313 -0.468) 3.534 6.134 ( 9.387 -20.563 -1.708) 22.669 7.277 ( -11.337 4.376 2.006) 12.317 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.000 1.829 -1.077) 2.123 1.109 ( -0.000 -0.828 -8.517) 8.557 1.351 ( -0.000 6.529 -5.058) 8.259 2.439 ( 0.000 13.153 -2.717) 13.431 2.487 ( 0.000 8.681 -2.737) 9.102 3.428 ( 0.000 17.385 -2.024) 17.502 3.833 ( 0.000 2.934 1.777) 3.430 4.334 ( -0.000 -8.971 2.818) 9.404 4.866 ( 0.000 2.632 3.240) 4.174 5.187 ( -0.000 -1.285 -0.463) 1.366 5.950 ( -0.000 -23.337 -2.592) 23.481 7.509 ( 0.000 4.252 1.930) 4.669 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 2.832 -0.143 -0.383) 2.861 1.122 ( 4.068 0.518 -2.473) 4.789 1.408 ( 0.858 7.126 -3.903) 8.170 2.548 ( 1.232 11.339 -0.986) 11.448 2.649 ( 7.365 9.634 -2.848) 12.457 3.588 ( 1.166 14.028 -2.631) 14.320 3.864 ( -0.090 1.913 0.752) 2.058 4.184 ( -5.050 -11.414 0.634) 12.497 4.881 ( -2.300 2.439 1.780) 3.796 5.248 ( 6.377 0.943 -0.014) 6.447 5.779 ( 5.917 -19.094 -2.707) 20.172 7.491 ( -7.112 3.179 3.823) 8.678 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.000 -0.392 -0.340) 0.519 1.102 ( 0.000 1.925 1.066) 2.200 1.453 ( 0.000 5.609 -2.057) 5.975 2.641 ( 0.000 8.050 -1.078) 8.122 2.667 ( 0.000 10.558 -0.389) 10.565 3.699 ( 0.000 11.639 -3.314) 12.101 3.884 ( 0.000 1.479 -0.743) 1.655 4.092 ( -0.000 -14.376 -2.683) 14.624 4.953 ( 0.000 4.153 0.781) 4.226 5.171 ( 0.000 -0.439 1.139) 1.220 5.566 ( -0.000 -13.248 -2.907) 13.564 7.591 ( 0.000 1.762 5.387) 5.668 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 -0.000 13.235) 13.235 0.855 ( 0.000 -0.000 13.235) 13.235 1.464 ( -0.000 0.000 -1.772) 1.772 1.464 ( -0.000 0.000 -1.772) 1.772 1.578 ( 0.000 -0.000 32.950) 32.950 2.855 ( -0.000 0.000 -21.189) 21.189 3.789 ( 0.000 0.000 -2.097) 2.097 3.789 ( -0.000 0.000 -2.097) 2.097 5.125 ( 0.000 -0.000 1.644) 1.644 5.324 ( 0.000 -0.000 0.857) 0.857 5.324 ( 0.000 -0.000 0.857) 0.857 8.586 ( -0.000 0.000 -0.520) 0.520 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -2.679 -1.547 15.195) 15.507 0.937 ( -0.967 -0.559 12.648) 12.697 1.415 ( -2.235 -1.290 5.422) 6.005 1.491 ( 3.341 1.929 -0.484) 3.888 1.854 ( 12.830 7.407 13.640) 20.138 2.519 ( -16.697 -9.640 -11.857) 22.635 3.797 ( 0.324 0.187 -2.500) 2.527 3.937 ( 11.051 6.380 -1.138) 12.811 5.016 ( -3.689 -2.130 0.291) 4.270 5.300 ( -1.594 -0.920 1.314) 2.262 5.833 ( 31.484 18.177 -9.450) 37.563 8.401 ( -15.454 -8.922 0.728) 17.859 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 1.193 0.689 12.450) 12.526 0.894 ( -5.780 -3.337 13.453) 15.018 1.379 ( -2.450 -1.415 0.190) 2.836 1.615 ( 7.301 4.215 2.030) 8.672 2.101 ( 2.628 1.517 -3.759) 4.831 2.330 ( 8.045 4.645 1.248) 9.373 3.793 ( 0.109 0.063 -2.796) 2.799 4.199 ( 10.903 6.295 1.143) 12.641 4.952 ( -2.243 -1.295 -0.564) 2.651 5.263 ( -1.875 -1.083 1.678) 2.739 6.476 ( 25.776 14.882 -13.693) 32.763 7.935 ( -24.523 -14.159 2.685) 28.444 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -2.931 -1.692 10.934) 11.446 0.909 ( 2.985 1.724 7.020) 7.820 1.311 ( -2.767 -1.598 -0.647) 3.260 1.834 ( 10.967 6.332 3.809) 13.224 2.154 ( 5.082 2.934 -1.497) 6.056 2.668 ( 17.186 9.922 -1.108) 19.875 3.792 ( 0.613 0.354 -2.665) 2.757 4.403 ( 6.224 3.593 -0.192) 7.189 4.908 ( -1.455 -0.840 -0.632) 1.795 5.228 ( -1.611 -0.930 1.664) 2.496 6.843 ( 4.625 2.670 -11.624) 12.792 7.405 ( -16.833 -9.718 4.752) 20.009 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 5.824 3.362 12.027) 13.779 0.992 ( 2.956 1.707 2.720) 4.364 1.266 ( -0.904 -0.522 0.843) 1.341 2.121 ( 12.790 7.385 3.573) 15.195 2.300 ( 7.276 4.201 0.088) 8.402 3.058 ( 16.863 9.736 -1.285) 19.514 3.809 ( 1.477 0.853 -1.991) 2.622 4.468 ( -0.393 -0.227 -2.235) 2.281 4.882 ( -0.436 -0.251 -1.560) 1.639 5.201 ( -1.067 -0.616 1.132) 1.673 6.472 ( -25.610 -14.786 -0.781) 29.583 7.397 ( 7.234 4.177 -1.721) 8.529 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 3.188 1.841 6.459) 7.434 1.057 ( 2.364 1.365 0.253) 2.742 1.309 ( 4.840 2.794 4.275) 7.036 2.418 ( 12.054 6.959 2.092) 14.074 2.471 ( 7.467 4.311 0.957) 8.675 3.414 ( 14.104 8.143 1.106) 16.323 3.845 ( 1.953 1.127 -0.825) 2.401 4.357 ( -8.860 -5.115 -2.283) 10.483 4.890 ( 1.889 1.091 -2.094) 3.024 5.184 ( -0.629 -0.363 0.113) 0.735 5.924 ( -20.912 -12.074 3.161) 24.354 7.534 ( 4.786 2.763 -3.646) 6.621 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 -5.774 16.992) 17.946 1.001 ( 0.000 2.820 4.541) 5.345 1.443 ( 0.000 0.521 2.336) 2.394 1.522 ( 0.000 6.360 -1.523) 6.540 1.884 ( 0.000 10.998 19.385) 22.288 2.499 ( -0.000 -16.240 -14.958) 22.079 3.754 ( -0.000 -1.393 -0.800) 1.606 3.935 ( 0.000 11.004 -0.980) 11.047 5.011 ( -0.000 -4.802 0.531) 4.831 5.331 ( -0.000 -0.531 -0.011) 0.531 5.783 ( 0.000 32.948 -6.231) 33.532 8.412 ( -0.000 -16.172 -0.064) 16.172 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -0.042 -3.205 14.131) 14.490 1.015 ( -1.963 1.508 2.763) 3.710 1.425 ( -3.214 -0.325 1.261) 3.468 1.611 ( 2.327 9.204 0.811) 9.528 2.102 ( 3.620 10.787 5.113) 12.474 2.279 ( -0.976 -5.118 -6.037) 7.975 3.763 ( 1.734 -1.331 -1.528) 2.667 4.110 ( 7.234 9.381 1.490) 11.939 4.960 ( -1.243 -2.929 -0.111) 3.184 5.300 ( -2.072 -0.442 0.585) 2.198 6.251 ( 17.469 25.707 -8.893) 32.328 8.103 ( -13.772 -20.625 0.412) 24.804 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.470 -2.843 5.908) 6.573 1.006 ( -2.477 4.309 4.054) 6.414 1.351 ( -3.777 -1.583 0.574) 4.136 1.787 ( 5.980 10.708 2.888) 12.600 2.141 ( 0.618 4.982 -1.184) 5.158 2.503 ( 14.041 11.947 -0.366) 18.440 3.771 ( 1.071 -0.326 -2.389) 2.639 4.316 ( 7.096 4.356 0.868) 8.371 4.914 ( -1.130 -2.027 -0.256) 2.335 5.266 ( -2.020 0.176 1.312) 2.415 6.720 ( 14.367 15.345 -8.726) 22.760 7.590 ( -19.890 -21.734 2.320) 29.553 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 5.067 3.946 5.777) 8.639 1.041 ( -1.070 5.491 4.710) 7.313 1.286 ( -2.337 -1.322 1.592) 3.121 2.033 ( 9.056 10.479 2.977) 14.166 2.259 ( 4.667 7.919 1.359) 9.292 2.883 ( 15.682 12.833 -1.651) 20.331 3.786 ( 1.412 0.757 -2.463) 2.938 4.417 ( 3.038 -1.666 -1.627) 3.828 4.880 ( -0.707 -1.318 -0.919) 1.755 5.244 ( -1.986 1.620 1.383) 2.912 6.771 ( -20.623 -5.019 -5.155) 21.842 7.258 ( 6.853 -7.046 2.293) 10.093 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 4.384 6.617 3.247) 8.576 1.098 ( -0.747 5.339 7.112) 8.924 1.273 ( 2.381 0.422 2.719) 3.639 2.303 ( 10.321 8.251 1.509) 13.300 2.443 ( 5.388 10.186 2.971) 11.900 3.263 ( 14.572 11.198 0.056) 18.378 3.820 ( 1.978 1.508 -1.924) 3.145 4.372 ( -2.332 -7.673 -2.693) 8.459 4.861 ( 0.476 -0.634 -2.157) 2.299 5.238 ( -2.114 3.568 0.830) 4.230 6.236 ( -26.223 -9.046 1.243) 27.767 7.398 ( 9.884 -2.899 -1.733) 10.445 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 0.925 10.912) 10.951 1.031 ( -0.000 0.365 -2.341) 2.369 1.454 ( -0.000 -1.216 -1.858) 2.221 1.685 ( 0.000 10.738 -2.210) 10.963 2.197 ( -0.000 -3.847 -9.281) 10.047 2.233 ( 0.000 14.869 8.023) 16.895 3.732 ( 0.000 -0.700 1.074) 1.283 4.160 ( 0.000 10.239 3.359) 10.776 4.940 ( -0.000 -3.071 0.370) 3.093 5.305 ( -0.000 -1.666 -1.041) 1.964 6.354 ( 0.000 26.241 -4.212) 26.577 7.993 ( -0.000 -24.490 -1.928) 24.566 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -3.737 2.195 0.748) 4.398 1.043 ( 1.385 1.827 -1.462) 2.719 1.391 ( -2.887 -2.758 -2.787) 4.869 1.824 ( 3.558 11.827 -0.996) 12.391 2.173 ( 1.416 3.516 -4.297) 5.730 2.469 ( 5.954 17.678 3.159) 18.920 3.743 ( 1.048 -0.114 0.455) 1.148 4.289 ( 2.828 6.581 3.631) 8.031 4.907 ( -0.641 -2.566 0.603) 2.713 5.283 ( -0.159 -1.152 -0.544) 1.283 6.656 ( 9.300 16.712 -1.470) 19.182 7.635 ( -11.738 -24.337 -2.870) 27.171 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 1.678 7.122 -2.443) 7.713 1.094 ( 1.216 3.508 0.423) 3.737 1.318 ( -2.243 -2.113 0.088) 3.083 2.021 ( 5.827 11.321 0.286) 12.736 2.283 ( 4.194 9.244 0.099) 10.151 2.793 ( 10.684 17.318 -0.280) 20.351 3.765 ( 1.165 0.865 -0.744) 1.630 4.367 ( 0.970 -0.018 1.050) 1.429 4.875 ( -0.627 -1.826 0.376) 1.967 5.280 ( 0.031 0.689 0.325) 0.762 6.946 ( 9.448 8.357 -0.965) 12.650 7.133 ( -17.591 -22.392 -1.183) 28.500 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 6.707 11.915 1.246) 13.730 1.155 ( 1.815 3.976 2.714) 5.145 1.267 ( -1.596 -1.755 1.538) 2.828 2.241 ( 7.534 9.722 0.422) 12.307 2.482 ( 5.441 12.597 2.393) 13.929 3.154 ( 12.373 14.905 -0.441) 19.377 3.799 ( 1.653 1.813 -1.292) 2.773 4.321 ( -2.117 -6.997 -1.176) 7.404 4.850 ( -0.528 -1.128 -0.843) 1.504 5.296 ( -0.314 2.641 0.553) 2.716 6.595 ( -23.678 -10.661 -0.293) 25.969 7.158 ( 11.519 -3.654 -0.057) 12.084 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.000 5.563 -4.360) 7.068 1.016 ( -0.000 0.718 -4.641) 4.696 1.364 ( -0.000 -4.263 -5.662) 7.088 1.905 ( 0.000 13.078 -3.725) 13.598 2.177 ( -0.000 5.583 -4.101) 6.927 2.629 ( 0.000 20.301 3.167) 20.546 3.743 ( 0.000 0.766 2.518) 2.632 4.351 ( 0.000 6.025 5.172) 7.940 4.889 ( -0.000 -2.534 1.431) 2.910 5.259 ( -0.000 -2.034 -1.648) 2.618 6.702 ( 0.000 5.310 4.235) 6.792 7.505 ( -0.000 -17.963 -6.528) 19.113 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -2.386 7.378 -8.500) 11.505 1.078 ( 3.814 2.913 -3.701) 6.060 1.308 ( -0.390 -3.017 -3.122) 4.359 2.058 ( 3.302 12.851 -2.556) 13.512 2.278 ( 4.848 8.362 -2.911) 10.095 2.869 ( 3.525 20.473 1.482) 20.827 3.766 ( 0.378 1.552 2.038) 2.590 4.394 ( -1.855 1.402 3.706) 4.375 4.868 ( -0.363 -1.847 1.745) 2.567 5.255 ( 2.065 -0.978 -1.135) 2.551 6.728 ( 6.540 -16.665 4.291) 18.410 7.291 ( -10.189 -0.779 -5.188) 11.460 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.000 6.703 -14.894) 16.333 1.018 ( -0.000 2.030 -3.153) 3.750 1.280 ( -0.000 -0.909 -2.310) 2.482 2.154 ( 0.000 14.283 -3.848) 14.793 2.309 ( 0.000 8.509 -1.900) 8.719 3.048 ( 0.000 20.277 0.764) 20.291 3.789 ( 0.000 2.114 2.525) 3.293 4.439 ( 0.000 -0.447 4.247) 4.271 4.863 ( 0.000 -1.010 2.659) 2.844 5.212 ( -0.000 -1.603 -1.354) 2.099 6.463 ( -0.000 -26.460 1.348) 26.494 7.397 ( 0.000 6.050 -1.612) 6.261 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 -0.000 8.811) 8.811 0.953 ( 0.000 -0.000 8.811) 8.811 1.448 ( -0.000 0.000 -1.655) 1.655 1.448 ( -0.000 0.000 -1.655) 1.655 1.858 ( 0.000 -0.000 30.302) 30.302 2.657 ( -0.000 0.000 -23.276) 23.276 3.773 ( 0.000 0.000 -1.449) 1.449 3.773 ( 0.000 0.000 -1.449) 1.449 5.137 ( 0.000 -0.000 1.074) 1.074 5.331 ( 0.000 -0.000 0.579) 0.579 5.331 ( 0.000 -0.000 0.579) 0.579 8.582 ( -0.000 0.000 -0.353) 0.353 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -2.110 -1.218 11.030) 11.296 1.013 ( 0.149 0.086 4.305) 4.308 1.444 ( -1.235 -0.713 1.691) 2.212 1.490 ( 4.190 2.419 0.159) 4.841 1.992 ( 4.860 2.806 17.106) 18.003 2.400 ( -11.672 -6.739 -14.780) 20.002 3.776 ( 0.069 0.040 -2.178) 2.179 3.927 ( 11.764 6.792 -0.849) 13.611 5.018 ( -4.256 -2.457 0.182) 4.918 5.311 ( -1.371 -0.792 1.270) 2.030 5.772 ( 27.882 16.098 -4.817) 32.554 8.406 ( -14.797 -8.543 0.397) 17.090 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 0.057 0.033 9.603) 9.603 0.965 ( -4.846 -2.798 2.085) 5.971 1.392 ( -3.602 -2.080 2.950) 5.099 1.636 ( 8.149 4.705 2.774) 9.810 2.088 ( 0.078 0.045 1.120) 1.124 2.328 ( 10.092 5.827 -1.988) 11.821 3.768 ( 0.007 0.004 -2.715) 2.715 4.200 ( 10.972 6.335 -0.912) 12.703 4.947 ( -2.346 -1.355 -0.471) 2.750 5.279 ( -1.786 -1.031 1.761) 2.712 6.383 ( 24.864 14.355 -7.490) 29.672 7.956 ( -23.556 -13.600 2.224) 27.291 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.597 -0.344 7.322) 7.354 0.968 ( 1.396 0.806 6.198) 6.404 1.322 ( -3.044 -1.758 3.262) 4.795 1.870 ( 11.160 6.443 4.162) 13.542 2.153 ( 5.368 3.099 1.338) 6.341 2.653 ( 16.935 9.777 -2.210) 19.679 3.767 ( 0.735 0.425 -2.837) 2.961 4.388 ( 5.711 3.297 -3.089) 7.282 4.900 ( -1.684 -0.972 -1.023) 2.197 5.243 ( -1.722 -0.994 1.813) 2.691 6.756 ( 5.526 3.190 -8.040) 10.264 7.451 ( -16.765 -9.679 5.661) 20.169 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 -3.598 11.941) 12.471 1.019 ( -0.000 0.467 -0.383) 0.604 1.453 ( 0.000 0.915 0.236) 0.945 1.507 ( 0.000 6.369 -1.645) 6.578 2.053 ( 0.000 4.699 17.968) 18.572 2.356 ( -0.000 -12.474 -16.533) 20.711 3.752 ( -0.000 -0.907 0.368) 0.978 3.927 ( 0.000 12.544 -0.744) 12.566 5.016 ( -0.000 -5.203 0.467) 5.224 5.328 ( -0.000 -0.865 -0.555) 1.028 5.747 ( 0.000 30.548 -1.988) 30.612 8.411 ( -0.000 -16.290 -0.224) 16.292 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -1.775 -4.817 8.782) 10.173 1.013 ( -0.343 0.453 -2.467) 2.532 1.430 ( -2.340 -1.788 0.105) 2.947 1.615 ( 4.018 8.886 0.274) 9.756 2.143 ( -3.358 1.416 3.743) 5.224 2.230 ( 5.661 3.464 -4.167) 7.836 3.753 ( 0.497 -0.699 -0.556) 1.022 4.119 ( 6.869 10.766 0.456) 12.779 4.959 ( -1.499 -2.859 -0.019) 3.228 5.304 ( -1.186 -0.938 0.209) 1.526 6.199 ( 15.864 25.969 -2.865) 30.566 8.105 ( -12.851 -21.207 0.107) 24.797 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.070 -5.134 2.619) 5.764 1.028 ( -0.169 3.385 1.712) 3.797 1.365 ( -2.683 -2.492 2.572) 4.475 1.810 ( 7.092 10.017 2.198) 12.469 2.145 ( 1.540 4.741 2.006) 5.373 2.492 ( 13.024 12.373 -1.971) 18.071 3.753 ( 0.377 0.133 -1.620) 1.668 4.313 ( 5.738 5.151 -1.590) 7.873 4.911 ( -1.429 -1.833 -0.412) 2.361 5.276 ( -1.515 -0.212 1.017) 1.837 6.665 ( 12.462 16.226 -3.592) 20.773 7.611 ( -17.693 -22.210 2.528) 28.508 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.000 -3.296 7.815) 8.482 0.994 ( -0.000 -0.234 -5.979) 5.983 1.426 ( -0.000 -3.223 -4.151) 5.256 1.662 ( 0.000 10.225 -2.957) 10.644 2.123 ( -0.000 -2.574 -6.664) 7.144 2.294 ( 0.000 13.672 5.516) 14.743 3.747 ( 0.000 -0.279 2.123) 2.141 4.185 ( 0.000 11.812 2.389) 12.051 4.943 ( -0.000 -2.860 0.418) 2.890 5.293 ( -0.000 -1.886 -1.534) 2.431 6.343 ( 0.000 27.509 1.625) 27.557 7.975 ( -0.000 -25.937 -2.029) 26.016 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 -0.000 3.160) 3.160 1.006 ( 0.000 -0.000 3.160) 3.160 1.437 ( -0.000 0.000 -0.725) 0.725 1.437 ( -0.000 0.000 -0.725) 0.725 2.096 ( 0.000 -0.000 21.117) 21.117 2.460 ( -0.000 0.000 -18.779) 18.779 3.765 ( 0.000 0.000 -0.518) 0.518 3.765 ( 0.000 0.000 -0.518) 0.518 5.143 ( 0.000 -0.000 0.372) 0.372 5.334 ( 0.000 -0.000 0.205) 0.205 5.334 ( 0.000 -0.000 0.205) 0.205 8.579 ( -0.000 0.000 -0.125) 0.125 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 4.63e-04 4.63e-04 2.00e-05 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -1.120 -0.647 5.831) 5.973 1.012 ( -0.891 -0.515 -4.434) 4.552 1.452 ( 0.245 0.141 0.330) 0.434 1.495 ( 5.021 2.899 1.044) 5.891 2.129 ( 0.591 0.341 9.044) 9.070 2.280 ( -8.506 -4.911 -7.817) 12.553 3.760 ( -0.326 -0.188 -1.431) 1.480 3.923 ( 11.640 6.720 -0.025) 13.440 5.019 ( -4.538 -2.620 -0.150) 5.242 5.321 ( -1.072 -0.619 1.001) 1.592 5.745 ( 26.247 15.154 -1.363) 30.339 8.409 ( -14.367 -8.295 0.285) 16.593 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/40500 10.0 170.623 170.623 278.492 -0.000 -0.000 -0.000 3/40500 20.0 49.218 49.218 67.336 -0.000 -0.000 -0.000 3/40500 30.0 24.433 24.433 31.546 -0.000 -0.000 -0.000 3/40500 40.0 15.860 15.860 19.528 -0.000 -0.000 -0.000 3/40500 50.0 11.753 11.753 13.901 -0.000 -0.000 -0.000 3/40500 60.0 9.403 9.403 10.745 -0.000 -0.000 -0.000 3/40500 70.0 7.897 7.897 8.762 -0.000 -0.000 -0.000 3/40500 80.0 6.850 6.850 7.412 -0.000 -0.000 -0.000 3/40500 90.0 6.075 6.075 6.436 -0.000 -0.000 -0.000 3/40500 100.0 5.474 5.474 5.698 -0.000 -0.000 -0.000 3/40500 110.0 4.991 4.991 5.119 -0.000 -0.000 -0.000 3/40500 120.0 4.592 4.592 4.652 -0.000 -0.000 -0.000 3/40500 130.0 4.255 4.255 4.266 -0.000 -0.000 -0.000 3/40500 140.0 3.966 3.966 3.942 -0.000 -0.000 -0.000 3/40500 150.0 3.716 3.716 3.666 -0.000 -0.000 -0.000 3/40500 160.0 3.495 3.495 3.426 -0.000 -0.000 -0.000 3/40500 170.0 3.300 3.300 3.217 -0.000 -0.000 -0.000 3/40500 180.0 3.125 3.125 3.033 -0.000 -0.000 -0.000 3/40500 190.0 2.968 2.968 2.869 -0.000 -0.000 -0.000 3/40500 200.0 2.826 2.826 2.722 -0.000 -0.000 -0.000 3/40500 210.0 2.698 2.698 2.590 -0.000 -0.000 -0.000 3/40500 220.0 2.580 2.580 2.470 -0.000 -0.000 -0.000 3/40500 230.0 2.472 2.472 2.361 -0.000 -0.000 -0.000 3/40500 240.0 2.373 2.373 2.261 -0.000 -0.000 -0.000 3/40500 250.0 2.281 2.281 2.170 -0.000 -0.000 -0.000 3/40500 260.0 2.196 2.196 2.085 -0.000 -0.000 -0.000 3/40500 270.0 2.117 2.117 2.007 -0.000 -0.000 -0.000 3/40500 280.0 2.044 2.044 1.935 -0.000 -0.000 -0.000 3/40500 290.0 1.975 1.975 1.868 -0.000 -0.000 -0.000 3/40500 300.0 1.911 1.911 1.805 -0.000 -0.000 -0.000 3/40500 310.0 1.851 1.851 1.746 -0.000 -0.000 -0.000 3/40500 320.0 1.794 1.794 1.691 -0.000 -0.000 -0.000 3/40500 330.0 1.741 1.741 1.640 -0.000 -0.000 -0.000 3/40500 340.0 1.691 1.691 1.591 -0.000 -0.000 -0.000 3/40500 350.0 1.644 1.644 1.546 -0.000 -0.000 -0.000 3/40500 360.0 1.599 1.599 1.503 -0.000 -0.000 -0.000 3/40500 370.0 1.557 1.557 1.462 -0.000 -0.000 -0.000 3/40500 380.0 1.517 1.517 1.423 -0.000 -0.000 -0.000 3/40500 390.0 1.478 1.478 1.387 -0.000 -0.000 -0.000 3/40500 400.0 1.442 1.442 1.352 -0.000 -0.000 -0.000 3/40500 410.0 1.407 1.407 1.319 -0.000 -0.000 -0.000 3/40500 420.0 1.374 1.374 1.287 -0.000 -0.000 -0.000 3/40500 430.0 1.343 1.343 1.257 -0.000 -0.000 -0.000 3/40500 440.0 1.313 1.313 1.229 -0.000 -0.000 -0.000 3/40500 450.0 1.284 1.284 1.201 -0.000 -0.000 -0.000 3/40500 460.0 1.257 1.257 1.175 -0.000 -0.000 -0.000 3/40500 470.0 1.230 1.230 1.150 -0.000 -0.000 -0.000 3/40500 480.0 1.205 1.205 1.126 -0.000 -0.000 -0.000 3/40500 490.0 1.181 1.181 1.103 -0.000 -0.000 -0.000 3/40500 500.0 1.157 1.157 1.081 -0.000 -0.000 -0.000 3/40500 510.0 1.135 1.135 1.060 -0.000 -0.000 -0.000 3/40500 520.0 1.113 1.113 1.039 -0.000 -0.000 -0.000 3/40500 530.0 1.092 1.092 1.020 -0.000 -0.000 -0.000 3/40500 540.0 1.072 1.072 1.001 -0.000 -0.000 -0.000 3/40500 550.0 1.053 1.053 0.983 -0.000 -0.000 -0.000 3/40500 560.0 1.034 1.034 0.965 -0.000 -0.000 -0.000 3/40500 570.0 1.017 1.017 0.948 -0.000 -0.000 -0.000 3/40500 580.0 0.999 0.999 0.932 -0.000 -0.000 -0.000 3/40500 590.0 0.982 0.982 0.916 -0.000 -0.000 -0.000 3/40500 600.0 0.966 0.966 0.901 -0.000 -0.000 -0.000 3/40500 610.0 0.950 0.950 0.886 -0.000 -0.000 -0.000 3/40500 620.0 0.935 0.935 0.871 -0.000 -0.000 -0.000 3/40500 630.0 0.920 0.920 0.858 -0.000 -0.000 -0.000 3/40500 640.0 0.906 0.906 0.844 -0.000 -0.000 -0.000 3/40500 650.0 0.892 0.892 0.831 -0.000 -0.000 -0.000 3/40500 660.0 0.879 0.879 0.819 -0.000 -0.000 -0.000 3/40500 670.0 0.866 0.866 0.806 -0.000 -0.000 -0.000 3/40500 680.0 0.853 0.853 0.795 -0.000 -0.000 -0.000 3/40500 690.0 0.841 0.841 0.783 -0.000 -0.000 -0.000 3/40500 700.0 0.829 0.829 0.772 -0.000 -0.000 -0.000 3/40500 710.0 0.817 0.817 0.761 -0.000 -0.000 -0.000 3/40500 720.0 0.806 0.806 0.750 -0.000 -0.000 -0.000 3/40500 730.0 0.795 0.795 0.740 -0.000 -0.000 -0.000 3/40500 740.0 0.785 0.785 0.730 -0.000 -0.000 -0.000 3/40500 750.0 0.774 0.774 0.720 -0.000 -0.000 -0.000 3/40500 760.0 0.764 0.764 0.711 -0.000 -0.000 -0.000 3/40500 770.0 0.754 0.754 0.702 -0.000 -0.000 -0.000 3/40500 780.0 0.745 0.745 0.693 -0.000 -0.000 -0.000 3/40500 790.0 0.735 0.735 0.684 -0.000 -0.000 -0.000 3/40500 800.0 0.726 0.726 0.675 -0.000 -0.000 -0.000 3/40500 810.0 0.717 0.717 0.667 -0.000 -0.000 -0.000 3/40500 820.0 0.708 0.708 0.659 -0.000 -0.000 -0.000 3/40500 830.0 0.700 0.700 0.651 -0.000 -0.000 -0.000 3/40500 840.0 0.692 0.692 0.643 -0.000 -0.000 -0.000 3/40500 850.0 0.684 0.684 0.636 -0.000 -0.000 -0.000 3/40500 860.0 0.676 0.676 0.628 -0.000 -0.000 -0.000 3/40500 870.0 0.668 0.668 0.621 -0.000 -0.000 -0.000 3/40500 880.0 0.660 0.660 0.614 -0.000 -0.000 -0.000 3/40500 890.0 0.653 0.653 0.607 -0.000 -0.000 -0.000 3/40500 900.0 0.646 0.646 0.600 -0.000 -0.000 -0.000 3/40500 910.0 0.639 0.639 0.594 -0.000 -0.000 -0.000 3/40500 920.0 0.632 0.632 0.587 -0.000 -0.000 -0.000 3/40500 930.0 0.625 0.625 0.581 -0.000 -0.000 -0.000 3/40500 940.0 0.618 0.618 0.575 -0.000 -0.000 -0.000 3/40500 950.0 0.612 0.612 0.569 -0.000 -0.000 -0.000 3/40500 960.0 0.606 0.606 0.563 -0.000 -0.000 -0.000 3/40500 970.0 0.599 0.599 0.557 -0.000 -0.000 -0.000 3/40500 980.0 0.593 0.593 0.551 -0.000 -0.000 -0.000 3/40500 990.0 0.587 0.587 0.546 -0.000 -0.000 -0.000 3/40500 1000.0 0.581 0.581 0.540 -0.000 -0.000 -0.000 3/40500 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:15:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|