----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:20:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.600715488453602 0.924173518154689 5.654824456666661 b -1.600715488453599 0.924173518154689 5.654824456666661 c 0.000000000000002 -1.848347036309380 5.654824456666661 Atomic positions (fractional): *1 O 0.89310244684471 0.89310244684471 0.89310244684471 15.999 2 O 0.10689755315529 0.10689755315529 0.10689755315529 15.999 *3 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 *4 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.201430976907202 0.000000000000000 0.000000000000000 b -1.600715488453601 2.772520554464069 0.000000000000000 c 0.000000000000000 0.000000000000000 16.964473370000000 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.22643578017804 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.10689755315529 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.55976911351138 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.44023088648863 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.89310244684471 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.77356421982196 15.999 > 2 *7 Sc 0.33333333333333 0.66666666666667 0.16666666666667 44.956 > 3 8 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 3 9 Sc 0.66666666666667 0.33333333333333 0.83333333333333 44.956 > 3 *10 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 4 11 Cu 0.66666666666667 0.33333333333333 0.33333333333333 63.546 > 4 12 Cu 0.33333333333333 0.66666666666667 0.66666666666667 63.546 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.604292930721606 0.000000000000000 0.000000000000000 b -4.802146465360803 8.317561663392206 0.000000000000000 c 0.000000000000000 0.000000000000000 16.964473370000000 Atomic positions (fractional): *1 O 0.22222222222222 0.11111111111111 0.22643578017804 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.22643578017804 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.22643578017804 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.22643578017804 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.22643578017804 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.22643578017804 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.22643578017804 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.22643578017804 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.22643578017804 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.10689755315529 15.999 > 2 11 O 0.33333333333333 0.00000000000000 0.10689755315529 15.999 > 2 12 O 0.66666666666667 0.00000000000000 0.10689755315529 15.999 > 2 13 O 0.00000000000000 0.33333333333333 0.10689755315529 15.999 > 2 14 O 0.33333333333333 0.33333333333333 0.10689755315529 15.999 > 2 15 O 0.66666666666667 0.33333333333333 0.10689755315529 15.999 > 2 16 O 0.00000000000000 0.66666666666667 0.10689755315529 15.999 > 2 17 O 0.33333333333333 0.66666666666667 0.10689755315529 15.999 > 2 18 O 0.66666666666667 0.66666666666667 0.10689755315529 15.999 > 2 19 O 0.11111111111111 0.22222222222222 0.55976911351138 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.55976911351138 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.55976911351138 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.55976911351138 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.55976911351138 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.55976911351138 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.55976911351138 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.55976911351138 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.55976911351138 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.44023088648863 15.999 > 2 29 O 0.55555555555556 0.11111111111111 0.44023088648863 15.999 > 2 30 O 0.88888888888889 0.11111111111111 0.44023088648863 15.999 > 2 31 O 0.22222222222222 0.44444444444444 0.44023088648863 15.999 > 2 32 O 0.55555555555556 0.44444444444444 0.44023088648863 15.999 > 2 33 O 0.88888888888889 0.44444444444444 0.44023088648863 15.999 > 2 34 O 0.22222222222222 0.77777777777778 0.44023088648863 15.999 > 2 35 O 0.55555555555556 0.77777777777778 0.44023088648863 15.999 > 2 36 O 0.88888888888889 0.77777777777778 0.44023088648863 15.999 > 2 37 O 0.00000000000000 0.00000000000000 0.89310244684471 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.89310244684471 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.89310244684471 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.89310244684471 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.89310244684471 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.89310244684471 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.89310244684471 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.89310244684471 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.89310244684471 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.77356421982196 15.999 > 2 47 O 0.44444444444444 0.22222222222222 0.77356421982196 15.999 > 2 48 O 0.77777777777778 0.22222222222222 0.77356421982196 15.999 > 2 49 O 0.11111111111111 0.55555555555556 0.77356421982196 15.999 > 2 50 O 0.44444444444444 0.55555555555556 0.77356421982196 15.999 > 2 51 O 0.77777777777778 0.55555555555556 0.77356421982196 15.999 > 2 52 O 0.11111111111111 0.88888888888889 0.77356421982196 15.999 > 2 53 O 0.44444444444444 0.88888888888889 0.77356421982196 15.999 > 2 54 O 0.77777777777778 0.88888888888889 0.77356421982196 15.999 > 2 *55 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 3 56 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 3 57 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 3 58 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 3 59 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 3 60 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 3 61 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 3 62 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 3 63 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 3 64 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 3 65 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 3 66 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 3 67 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 3 68 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 3 69 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 3 70 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 3 71 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 3 72 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 3 73 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 3 74 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 3 75 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 3 76 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 3 77 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 3 78 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 3 79 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 3 80 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 3 81 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 3 *82 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 4 83 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 4 84 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 4 85 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 4 86 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 4 87 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 4 88 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 4 89 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 4 90 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 4 91 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 4 92 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 4 93 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 4 94 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 4 95 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 4 96 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 4 97 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 4 98 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 4 99 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 4 100 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 4 101 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 4 102 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 4 103 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 4 104 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 4 105 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 4 106 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 4 107 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 4 108 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3895961 -0.0000000 0.0000000 0.0000000 6.3895961 0.0000000 0.0000000 0.0000000 5.5755071 -------------------------- Born effective charges -------------------------- 1 O -2.3639115 0.0000000 0.0000000 0.0000000 -2.3639115 0.0000000 0.0000000 0.0000000 -2.2923199 2 O -2.3639115 0.0000000 0.0000000 0.0000000 -2.3639115 0.0000000 0.0000000 0.0000000 -2.2923199 3 Sc 4.3949791 -0.0000000 0.0000000 0.0000000 4.3949791 0.0000000 0.0000000 0.0000000 3.3486292 4 Cu 0.3328439 -0.0000000 0.0000000 0.0000000 0.3328439 0.0000000 0.0000000 0.0000000 1.2360105 ---------------------------------------------------------------------------- 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: 169 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: 0.118 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.125 --------------------------------- 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: 169 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:20:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:20:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.600715488453602 0.924173518154689 5.654824456666661 b -1.600715488453599 0.924173518154689 5.654824456666661 c 0.000000000000002 -1.848347036309380 5.654824456666661 Atomic positions (fractional): 1 O 0.89310244684471 0.89310244684471 0.89310244684471 15.999 2 O 0.10689755315529 0.10689755315529 0.10689755315529 15.999 3 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 4 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.604292930721606 0.000000000000000 0.000000000000000 b -4.802146465360803 8.317561663392206 0.000000000000000 c 0.000000000000000 0.000000000000000 16.964473370000000 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.22643578017804 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.22643578017804 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.22643578017804 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.22643578017804 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.22643578017804 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.22643578017804 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.22643578017804 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.22643578017804 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.22643578017804 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.10689755315529 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.10689755315529 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.10689755315529 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.10689755315529 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.10689755315529 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.10689755315529 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.10689755315529 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.10689755315529 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.10689755315529 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.55976911351138 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.55976911351138 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.55976911351138 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.55976911351138 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.55976911351138 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.55976911351138 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.55976911351138 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.55976911351138 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.55976911351138 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.44023088648863 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.44023088648863 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.44023088648863 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.44023088648863 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.44023088648863 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.44023088648863 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.44023088648863 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.44023088648863 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.44023088648863 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.89310244684471 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.89310244684471 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.89310244684471 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.89310244684471 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.89310244684471 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.89310244684471 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.89310244684471 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.89310244684471 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.89310244684471 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.77356421982196 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.77356421982196 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.77356421982196 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.77356421982196 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.77356421982196 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.77356421982196 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.77356421982196 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.77356421982196 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.77356421982196 15.999 > 10 55 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 55 56 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 55 57 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 55 58 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 55 59 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 55 60 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 55 61 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 55 62 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 55 63 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 55 64 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 55 65 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 55 66 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 55 67 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 55 68 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 55 69 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 55 70 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 55 71 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 55 72 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 55 73 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 55 74 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 55 75 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 55 76 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 55 77 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 55 78 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 55 79 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 55 80 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 55 81 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 55 82 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 82 83 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 82 84 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 82 85 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 82 86 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 82 87 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 82 88 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 82 89 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 82 90 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 82 91 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 82 92 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 82 93 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 82 94 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 82 95 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 82 96 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 82 97 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 82 98 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 82 99 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 82 100 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 82 101 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 82 102 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 82 103 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 82 104 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 82 105 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 82 106 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 82 107 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 82 108 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3895961 -0.0000000 0.0000000 0.0000000 6.3895961 0.0000000 0.0000000 0.0000000 5.5755071 -------------------------- Born effective charges -------------------------- 1 O -2.3639115 0.0000000 0.0000000 0.0000000 -2.3639115 0.0000000 0.0000000 0.0000000 -2.2923199 2 O -2.3639115 0.0000000 0.0000000 0.0000000 -2.3639115 0.0000000 0.0000000 0.0000000 -2.2923199 3 Sc 4.3949791 -0.0000000 0.0000000 0.0000000 4.3949791 0.0000000 0.0000000 0.0000000 3.3486292 4 Cu 0.3328439 -0.0000000 0.0000000 0.0000000 0.3328439 0.0000000 0.0000000 0.0000000 1.2360105 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 82, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:20:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:20:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.600715488453602 0.924173518154689 5.654824456666661 b -1.600715488453599 0.924173518154689 5.654824456666661 c 0.000000000000002 -1.848347036309380 5.654824456666661 Atomic positions (fractional): 1 O 0.89310244684471 0.89310244684471 0.89310244684471 15.999 2 O 0.10689755315529 0.10689755315529 0.10689755315529 15.999 3 Sc 0.50000000000000 0.50000000000000 0.50000000000000 44.956 4 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.604292930721606 0.000000000000000 0.000000000000000 b -4.802146465360803 8.317561663392206 0.000000000000000 c 0.000000000000000 0.000000000000000 16.964473370000000 Atomic positions (fractional): 1 O 0.22222222222222 0.11111111111111 0.22643578017804 15.999 > 1 2 O 0.55555555555556 0.11111111111111 0.22643578017804 15.999 > 1 3 O 0.88888888888889 0.11111111111111 0.22643578017804 15.999 > 1 4 O 0.22222222222222 0.44444444444444 0.22643578017804 15.999 > 1 5 O 0.55555555555556 0.44444444444444 0.22643578017804 15.999 > 1 6 O 0.88888888888889 0.44444444444444 0.22643578017804 15.999 > 1 7 O 0.22222222222222 0.77777777777778 0.22643578017804 15.999 > 1 8 O 0.55555555555556 0.77777777777778 0.22643578017804 15.999 > 1 9 O 0.88888888888889 0.77777777777778 0.22643578017804 15.999 > 1 10 O 0.00000000000000 0.00000000000000 0.10689755315529 15.999 > 10 11 O 0.33333333333333 0.00000000000000 0.10689755315529 15.999 > 10 12 O 0.66666666666667 0.00000000000000 0.10689755315529 15.999 > 10 13 O 0.00000000000000 0.33333333333333 0.10689755315529 15.999 > 10 14 O 0.33333333333333 0.33333333333333 0.10689755315529 15.999 > 10 15 O 0.66666666666667 0.33333333333333 0.10689755315529 15.999 > 10 16 O 0.00000000000000 0.66666666666667 0.10689755315529 15.999 > 10 17 O 0.33333333333333 0.66666666666667 0.10689755315529 15.999 > 10 18 O 0.66666666666667 0.66666666666667 0.10689755315529 15.999 > 10 19 O 0.11111111111111 0.22222222222222 0.55976911351138 15.999 > 1 20 O 0.44444444444444 0.22222222222222 0.55976911351138 15.999 > 1 21 O 0.77777777777778 0.22222222222222 0.55976911351138 15.999 > 1 22 O 0.11111111111111 0.55555555555556 0.55976911351138 15.999 > 1 23 O 0.44444444444444 0.55555555555556 0.55976911351138 15.999 > 1 24 O 0.77777777777778 0.55555555555556 0.55976911351138 15.999 > 1 25 O 0.11111111111111 0.88888888888889 0.55976911351138 15.999 > 1 26 O 0.44444444444444 0.88888888888889 0.55976911351138 15.999 > 1 27 O 0.77777777777778 0.88888888888889 0.55976911351138 15.999 > 1 28 O 0.22222222222222 0.11111111111111 0.44023088648863 15.999 > 10 29 O 0.55555555555556 0.11111111111111 0.44023088648863 15.999 > 10 30 O 0.88888888888889 0.11111111111111 0.44023088648863 15.999 > 10 31 O 0.22222222222222 0.44444444444444 0.44023088648863 15.999 > 10 32 O 0.55555555555556 0.44444444444444 0.44023088648863 15.999 > 10 33 O 0.88888888888889 0.44444444444444 0.44023088648863 15.999 > 10 34 O 0.22222222222222 0.77777777777778 0.44023088648863 15.999 > 10 35 O 0.55555555555556 0.77777777777778 0.44023088648863 15.999 > 10 36 O 0.88888888888889 0.77777777777778 0.44023088648863 15.999 > 10 37 O 0.00000000000000 0.00000000000000 0.89310244684471 15.999 > 1 38 O 0.33333333333333 0.00000000000000 0.89310244684471 15.999 > 1 39 O 0.66666666666667 0.00000000000000 0.89310244684471 15.999 > 1 40 O 0.00000000000000 0.33333333333333 0.89310244684471 15.999 > 1 41 O 0.33333333333333 0.33333333333333 0.89310244684471 15.999 > 1 42 O 0.66666666666667 0.33333333333333 0.89310244684471 15.999 > 1 43 O 0.00000000000000 0.66666666666667 0.89310244684471 15.999 > 1 44 O 0.33333333333333 0.66666666666667 0.89310244684471 15.999 > 1 45 O 0.66666666666667 0.66666666666667 0.89310244684471 15.999 > 1 46 O 0.11111111111111 0.22222222222222 0.77356421982196 15.999 > 10 47 O 0.44444444444444 0.22222222222222 0.77356421982196 15.999 > 10 48 O 0.77777777777778 0.22222222222222 0.77356421982196 15.999 > 10 49 O 0.11111111111111 0.55555555555556 0.77356421982196 15.999 > 10 50 O 0.44444444444444 0.55555555555556 0.77356421982196 15.999 > 10 51 O 0.77777777777778 0.55555555555556 0.77356421982196 15.999 > 10 52 O 0.11111111111111 0.88888888888889 0.77356421982196 15.999 > 10 53 O 0.44444444444444 0.88888888888889 0.77356421982196 15.999 > 10 54 O 0.77777777777778 0.88888888888889 0.77356421982196 15.999 > 10 55 Sc 0.11111111111111 0.22222222222222 0.16666666666667 44.956 > 55 56 Sc 0.44444444444444 0.22222222222222 0.16666666666667 44.956 > 55 57 Sc 0.77777777777778 0.22222222222222 0.16666666666667 44.956 > 55 58 Sc 0.11111111111111 0.55555555555556 0.16666666666667 44.956 > 55 59 Sc 0.44444444444444 0.55555555555556 0.16666666666667 44.956 > 55 60 Sc 0.77777777777778 0.55555555555556 0.16666666666667 44.956 > 55 61 Sc 0.11111111111111 0.88888888888889 0.16666666666667 44.956 > 55 62 Sc 0.44444444444444 0.88888888888889 0.16666666666667 44.956 > 55 63 Sc 0.77777777777778 0.88888888888889 0.16666666666667 44.956 > 55 64 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 55 65 Sc 0.33333333333333 0.00000000000000 0.50000000000000 44.956 > 55 66 Sc 0.66666666666667 0.00000000000000 0.50000000000000 44.956 > 55 67 Sc 0.00000000000000 0.33333333333333 0.50000000000000 44.956 > 55 68 Sc 0.33333333333333 0.33333333333333 0.50000000000000 44.956 > 55 69 Sc 0.66666666666667 0.33333333333333 0.50000000000000 44.956 > 55 70 Sc 0.00000000000000 0.66666666666667 0.50000000000000 44.956 > 55 71 Sc 0.33333333333333 0.66666666666667 0.50000000000000 44.956 > 55 72 Sc 0.66666666666667 0.66666666666667 0.50000000000000 44.956 > 55 73 Sc 0.22222222222222 0.11111111111111 0.83333333333333 44.956 > 55 74 Sc 0.55555555555556 0.11111111111111 0.83333333333333 44.956 > 55 75 Sc 0.88888888888889 0.11111111111111 0.83333333333333 44.956 > 55 76 Sc 0.22222222222222 0.44444444444444 0.83333333333333 44.956 > 55 77 Sc 0.55555555555556 0.44444444444444 0.83333333333333 44.956 > 55 78 Sc 0.88888888888889 0.44444444444444 0.83333333333333 44.956 > 55 79 Sc 0.22222222222222 0.77777777777778 0.83333333333333 44.956 > 55 80 Sc 0.55555555555556 0.77777777777778 0.83333333333333 44.956 > 55 81 Sc 0.88888888888889 0.77777777777778 0.83333333333333 44.956 > 55 82 Cu 0.00000000000000 0.00000000000000 0.00000000000000 63.546 > 82 83 Cu 0.33333333333333 0.00000000000000 0.00000000000000 63.546 > 82 84 Cu 0.66666666666667 0.00000000000000 0.00000000000000 63.546 > 82 85 Cu 0.00000000000000 0.33333333333333 0.00000000000000 63.546 > 82 86 Cu 0.33333333333333 0.33333333333333 0.00000000000000 63.546 > 82 87 Cu 0.66666666666667 0.33333333333333 0.00000000000000 63.546 > 82 88 Cu 0.00000000000000 0.66666666666667 0.00000000000000 63.546 > 82 89 Cu 0.33333333333333 0.66666666666667 0.00000000000000 63.546 > 82 90 Cu 0.66666666666667 0.66666666666667 0.00000000000000 63.546 > 82 91 Cu 0.22222222222222 0.11111111111111 0.33333333333333 63.546 > 82 92 Cu 0.55555555555556 0.11111111111111 0.33333333333333 63.546 > 82 93 Cu 0.88888888888889 0.11111111111111 0.33333333333333 63.546 > 82 94 Cu 0.22222222222222 0.44444444444444 0.33333333333333 63.546 > 82 95 Cu 0.55555555555556 0.44444444444444 0.33333333333333 63.546 > 82 96 Cu 0.88888888888889 0.44444444444444 0.33333333333333 63.546 > 82 97 Cu 0.22222222222222 0.77777777777778 0.33333333333333 63.546 > 82 98 Cu 0.55555555555556 0.77777777777778 0.33333333333333 63.546 > 82 99 Cu 0.88888888888889 0.77777777777778 0.33333333333333 63.546 > 82 100 Cu 0.11111111111111 0.22222222222222 0.66666666666667 63.546 > 82 101 Cu 0.44444444444444 0.22222222222222 0.66666666666667 63.546 > 82 102 Cu 0.77777777777778 0.22222222222222 0.66666666666667 63.546 > 82 103 Cu 0.11111111111111 0.55555555555556 0.66666666666667 63.546 > 82 104 Cu 0.44444444444444 0.55555555555556 0.66666666666667 63.546 > 82 105 Cu 0.77777777777778 0.55555555555556 0.66666666666667 63.546 > 82 106 Cu 0.11111111111111 0.88888888888889 0.66666666666667 63.546 > 82 107 Cu 0.44444444444444 0.88888888888889 0.66666666666667 63.546 > 82 108 Cu 0.77777777777778 0.88888888888889 0.66666666666667 63.546 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.3895961 -0.0000000 0.0000000 0.0000000 6.3895961 0.0000000 0.0000000 0.0000000 5.5755071 -------------------------- Born effective charges -------------------------- 1 O -2.3639115 0.0000000 0.0000000 0.0000000 -2.3639115 0.0000000 0.0000000 0.0000000 -2.2923199 2 O -2.3639115 0.0000000 0.0000000 0.0000000 -2.3639115 0.0000000 0.0000000 0.0000000 -2.2923199 3 Sc 4.3949791 -0.0000000 0.0000000 0.0000000 4.3949791 0.0000000 0.0000000 0.0000000 3.3486292 4 Cu 0.3328439 -0.0000000 0.0000000 0.0000000 0.3328439 0.0000000 0.0000000 0.0000000 1.2360105 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 18 18 18 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.13, Number of G-points: 313, Lambda: 0.29 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/580) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 19.151 ( 0.000 0.000 0.000) 0.000 20.910 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/580) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 17.504 10.106 39.564) 44.427 0.728 ( 30.468 17.591 2.556) 35.274 1.296 ( 49.312 28.470 6.085) 57.265 4.002 ( 2.458 1.419 -2.507) 3.787 4.191 ( 14.746 8.514 -1.028) 17.059 10.010 ( -7.952 -4.591 -1.015) 9.238 10.581 ( 1.143 0.660 -0.990) 1.650 11.629 ( -1.189 -0.686 -0.292) 1.403 11.633 ( -1.043 -0.602 1.105) 1.635 16.144 ( 16.926 9.772 -114.122) 115.784 19.317 ( -12.490 -7.211 86.511) 87.705 20.864 ( -4.640 -2.679 4.768) 7.172 ======================= Grid point 2 (3/580) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 18.139 10.473 37.976) 43.369 1.409 ( 27.015 15.597 3.712) 31.414 2.178 ( 23.316 13.462 7.129) 27.851 4.085 ( 6.136 3.543 -4.947) 8.641 4.811 ( 40.271 23.250 -1.030) 46.512 9.734 ( -15.167 -8.757 -3.606) 17.880 10.617 ( 2.435 1.406 -2.126) 3.525 11.587 ( -2.345 -1.354 -0.453) 2.745 11.602 ( -2.115 -1.221 2.368) 3.402 16.167 ( 8.625 4.979 -53.006) 53.933 19.306 ( -5.178 -2.990 31.711) 32.270 20.732 ( -8.620 -4.977 9.854) 14.006 ======================= Grid point 3 (4/580) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 18.178 10.495 33.821) 39.806 1.978 ( 20.421 11.790 5.031) 24.111 2.473 ( 2.580 1.490 9.714) 10.161 4.270 ( 11.851 6.842 -6.922) 15.336 5.975 ( 57.583 33.245 -0.787) 66.495 9.293 ( -21.389 -12.349 -5.526) 25.308 10.679 ( 3.774 2.179 -3.591) 5.647 11.520 ( -3.219 -1.859 -0.287) 3.728 11.552 ( -3.076 -1.776 3.981) 5.335 16.190 ( 5.042 2.911 -31.199) 31.737 19.281 ( -2.802 -1.618 7.955) 8.588 20.540 ( -11.240 -6.489 15.463) 20.188 ======================= Grid point 4 (5/580) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 13.244 7.647 15.598) 21.845 2.371 ( 12.080 6.974 5.459) 14.979 2.487 ( -2.460 -1.420 25.946) 26.101 4.594 ( 18.035 10.413 -7.574) 22.160 7.361 ( 60.881 35.149 -1.233) 70.310 8.721 ( -25.915 -14.962 -6.970) 30.725 10.764 ( 4.639 2.678 -5.597) 7.748 11.444 ( -3.177 -1.834 0.497) 3.702 11.491 ( -3.485 -2.012 6.158) 7.356 16.187 ( 1.683 0.972 -19.789) 19.885 19.221 ( -2.579 -1.489 -7.328) 7.910 20.330 ( -11.717 -6.765 20.921) 24.915 ======================= Grid point 5 (6/580) ======================= q-point: ( 0.28 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -7.202 -4.158 -5.411) 9.922 2.586 ( 5.554 3.207 4.695) 7.948 2.751 ( 11.634 6.717 44.332) 46.323 5.030 ( 20.937 12.088 -6.758) 25.102 8.066 ( -27.701 -15.993 -9.650) 33.411 8.725 ( 55.975 32.317 -1.197) 64.645 10.846 ( 4.054 2.340 -7.935) 9.213 11.397 ( -0.498 -0.288 2.369) 2.438 11.442 ( -2.531 -1.461 8.650) 9.130 16.126 ( -2.574 -1.486 -13.181) 13.512 19.108 ( -3.987 -2.302 -15.804) 16.461 20.152 ( -9.694 -5.597 23.440) 25.975 ======================= Grid point 6 (7/580) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -11.334 -6.543 -3.000) 13.426 2.682 ( 2.011 1.161 3.467) 4.173 3.158 ( 10.925 6.308 37.926) 39.969 5.485 ( 19.376 11.187 -5.275) 22.987 7.399 ( -26.483 -15.290 -10.238) 32.248 9.858 ( 39.767 22.959 -4.347) 46.124 10.886 ( 1.617 0.934 -8.653) 8.852 11.442 ( 0.014 0.008 9.435) 9.436 11.505 ( 11.253 6.497 5.920) 14.278 15.969 ( -8.006 -4.622 -9.439) 13.212 18.942 ( -5.354 -3.091 -16.477) 17.598 20.039 ( -6.406 -3.698 20.563) 21.853 ======================= Grid point 7 (8/580) ======================= q-point: ( 0.39 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -10.911 -6.300 -1.645) 12.706 2.717 ( 0.481 0.278 2.244) 2.311 3.485 ( 7.519 4.341 29.812) 31.050 5.867 ( 14.531 8.389 -3.607) 17.162 6.807 ( -21.108 -12.187 -10.116) 26.390 10.433 ( 12.589 7.268 -4.945) 15.354 10.871 ( -0.443 -0.256 -6.432) 6.452 11.495 ( 1.824 1.053 7.119) 7.424 12.041 ( 31.202 18.014 7.503) 36.802 15.689 ( -13.637 -7.873 -7.306) 17.359 18.772 ( -4.921 -2.841 -12.112) 13.379 19.982 ( -3.569 -2.061 14.213) 14.799 ======================= Grid point 8 (9/580) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -6.958 -4.017 -0.753) 8.069 2.727 ( 0.014 0.008 1.100) 1.100 3.693 ( 3.656 2.111 17.347) 17.853 6.119 ( 7.722 4.458 -1.840) 9.104 6.390 ( -11.790 -6.807 -6.957) 15.288 10.564 ( 2.309 1.333 -2.397) 3.585 10.838 ( -0.732 -0.423 -3.210) 3.320 11.555 ( 1.525 0.880 3.617) 4.022 12.797 ( 28.048 16.194 5.225) 32.806 15.321 ( -14.899 -8.602 -5.116) 17.949 18.650 ( -2.816 -1.626 -6.149) 6.956 19.959 ( -1.557 -0.899 7.073) 7.298 ======================= Grid point 9 (10/580) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 775 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 -0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 -0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 13.175 ( -0.000 -0.000 0.000) 0.000 15.100 ( 0.000 0.000 0.000) 0.000 18.607 ( 0.000 0.000 -0.000) 0.000 19.953 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 20 (11/580) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -0.000 15.741 53.937) 56.187 0.733 ( 0.000 34.733 3.560) 34.915 1.336 ( 0.000 55.315 16.358) 57.683 4.006 ( 0.000 3.415 -1.574) 3.760 4.172 ( 0.000 16.749 -4.765) 17.414 10.023 ( -0.000 -9.090 1.465) 9.207 10.567 ( 0.000 1.056 -3.657) 3.806 11.641 ( -0.000 -0.870 2.110) 2.282 11.644 ( -0.000 -1.071 3.176) 3.352 15.666 ( 0.000 56.030 -167.383) 176.512 19.647 ( -0.000 -41.423 111.798) 119.226 20.889 ( -0.000 -5.804 11.159) 12.578 ======================= Grid point 21 (12/580) ======================= q-point: ( 0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 9.377 13.528 48.919) 51.614 1.255 ( 17.103 28.366 4.503) 33.428 2.055 ( 16.652 30.657 15.702) 38.258 4.057 ( 1.815 6.586 -4.118) 7.976 4.556 ( 19.981 31.779 -4.504) 37.808 9.820 ( -9.594 -13.119 -1.738) 16.346 10.595 ( 2.265 2.435 -4.451) 5.556 11.619 ( -2.263 -1.074 2.478) 3.524 11.629 ( -1.218 -1.344 3.642) 4.069 15.834 ( 13.917 23.228 -89.165) 93.186 19.491 ( -8.648 -17.302 49.260) 52.922 20.822 ( -4.452 -8.001 15.136) 17.690 ======================= Grid point 22 (13/580) ======================= q-point: ( 0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 13.266 11.150 40.239) 43.812 1.831 ( 17.271 20.982 5.784) 27.784 2.484 ( 5.327 7.819 16.789) 19.272 4.194 ( 5.951 11.802 -6.666) 14.803 5.482 ( 41.808 44.211 -3.157) 60.930 9.437 ( -15.380 -17.459 -4.397) 23.679 10.654 ( 2.359 4.353 -5.242) 7.211 11.566 ( -3.350 -1.127 1.792) 3.963 11.597 ( -2.316 -1.709 5.056) 5.818 15.976 ( 9.906 9.889 -50.575) 52.476 19.353 ( -5.456 -7.907 16.078) 18.730 20.682 ( -7.724 -9.518 18.930) 22.552 ======================= Grid point 23 (14/580) ======================= q-point: ( 0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 12.228 6.755 22.332) 26.341 2.276 ( 11.869 12.357 6.284) 18.250 2.606 ( -1.048 1.162 28.424) 28.467 4.471 ( 11.135 18.800 -7.879) 23.227 6.759 ( 52.338 44.807 -2.889) 68.958 8.920 ( -20.178 -20.113 -5.931) 29.101 10.728 ( 2.594 5.488 -6.350) 8.785 11.496 ( -4.003 -0.999 1.829) 4.513 11.551 ( -2.994 -1.683 6.571) 7.414 16.050 ( 6.238 3.526 -31.205) 32.017 19.235 ( -3.896 -4.532 -2.538) 6.493 20.500 ( -9.324 -10.057 22.318) 26.195 ======================= Grid point 24 (15/580) ======================= q-point: ( 0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -1.081 -2.796 -2.372) 3.823 2.533 ( 6.436 4.433 6.633) 10.250 2.807 ( 6.737 5.731 46.493) 47.327 4.891 ( 14.369 24.317 -7.362) 29.189 8.066 ( 41.466 28.150 -14.744) 52.242 8.351 ( -11.339 -8.595 3.901) 14.753 10.808 ( 2.576 5.745 -7.642) 9.901 11.428 ( -3.307 -0.904 3.062) 4.597 11.511 ( -2.709 -0.491 7.793) 8.265 16.055 ( 2.401 -1.149 -20.252) 20.427 19.102 ( -3.997 -3.469 -12.821) 13.870 20.317 ( -8.894 -9.371 23.797) 27.078 ======================= Grid point 25 (16/580) ======================= q-point: ( 0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -8.853 -6.121 -4.006) 11.484 2.653 ( 3.232 0.060 4.668) 5.677 3.168 ( 9.671 5.249 42.805) 44.197 5.372 ( 13.588 25.900 -5.964) 29.850 7.633 ( -23.854 -18.783 -12.779) 32.941 9.373 ( 45.414 32.151 -0.797) 55.649 10.877 ( 1.396 6.232 -8.545) 10.668 11.408 ( 1.639 -1.176 6.710) 7.007 11.515 ( -0.282 2.836 7.259) 7.798 15.968 ( -2.423 -5.396 -13.824) 15.036 18.944 ( -4.665 -3.339 -15.998) 16.995 20.168 ( -6.902 -7.700 21.772) 24.103 ======================= Grid point 26 (17/580) ======================= q-point: ( 0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -10.930 -5.773 -2.891) 12.694 2.695 ( 1.787 -2.177 3.006) 4.119 3.489 ( 7.815 2.267 34.327) 35.278 5.810 ( 9.484 23.338 -4.473) 25.585 7.023 ( -22.042 -13.051 -12.176) 28.362 10.227 ( 22.575 15.850 -2.979) 27.744 10.919 ( -2.071 7.936 -7.672) 11.231 11.497 ( 3.062 0.565 8.406) 8.964 11.727 ( 20.881 9.726 6.830) 24.027 15.765 ( -8.188 -9.160 -10.039) 15.866 18.781 ( -4.404 -3.024 -13.741) 14.743 20.065 ( -4.534 -5.787 16.582) 18.138 ======================= Grid point 27 (18/580) ======================= q-point: ( 0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -9.534 -3.381 -2.022) 10.316 2.702 ( 1.451 -3.200 1.678) 3.894 3.694 ( 4.199 -1.257 22.206) 22.634 6.102 ( 3.253 12.665 -3.652) 13.576 6.582 ( -15.759 1.370 -8.726) 18.066 10.514 ( 5.198 3.321 -1.270) 6.298 10.915 ( -4.747 7.865 -4.346) 10.163 11.565 ( 0.904 2.234 4.622) 5.213 12.400 ( 34.676 12.143 5.590) 37.164 15.446 ( -12.671 -10.925 -7.335) 18.268 18.655 ( -2.651 -2.017 -8.761) 9.373 19.998 ( -2.578 -4.205 10.001) 11.151 ======================= Grid point 28 (19/580) ======================= q-point: ( 0.50 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -4.636 0.592 -1.303) 4.852 2.698 ( 1.606 -3.512 0.527) 3.897 3.751 ( 0.263 -4.116 5.686) 7.025 6.132 ( 0.152 -2.855 -2.404) 3.735 6.485 ( -10.160 20.432 -1.929) 22.900 10.575 ( 1.130 0.317 1.074) 1.591 10.901 ( -4.453 7.799 -1.226) 9.064 11.599 ( -0.759 1.953 1.230) 2.430 12.999 ( 20.045 0.520 1.615) 20.117 15.135 ( -7.517 -6.036 -3.462) 10.244 18.599 ( 0.043 -0.499 -2.924) 2.966 19.952 ( -1.076 -3.059 3.182) 4.543 ======================= Grid point 29 (20/580) ======================= q-point: (-0.44 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 2.387 4.689 -0.557) 5.291 2.692 ( 1.779 -3.399 -0.528) 3.873 3.666 ( -3.094 -5.493 -11.305) 12.944 6.158 ( 3.916 -0.237 2.782) 4.809 6.503 ( -10.414 19.542 1.711) 22.209 10.586 ( -0.462 -0.647 3.333) 3.426 10.915 ( -3.264 8.253 1.537) 9.007 11.583 ( -2.692 1.060 -2.011) 3.524 12.971 ( -12.365 -17.960 -4.085) 22.184 15.162 ( 11.369 4.563 2.054) 12.421 18.629 ( 2.983 1.206 3.187) 4.529 19.918 ( 0.281 -2.203 -3.679) 4.297 ======================= Grid point 30 (21/580) ======================= q-point: (-0.39 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 8.272 7.034 0.308) 10.863 2.686 ( 1.534 -3.121 -1.537) 3.803 3.467 ( -6.488 -6.098 -23.552) 25.179 6.137 ( -13.138 4.523 3.438) 14.314 6.658 ( 9.882 14.224 6.515) 18.505 10.549 ( -4.980 -2.777 5.684) 8.051 10.959 ( -2.820 8.548 4.580) 10.099 11.516 ( -4.020 -0.117 -5.351) 6.694 12.338 ( -28.762 -24.212 -7.017) 38.245 15.505 ( 17.271 5.894 4.444) 18.782 18.745 ( 5.513 2.734 9.586) 11.391 19.895 ( 1.951 -1.392 -10.805) 11.067 ======================= Grid point 31 (22/580) ======================= q-point: (-0.33 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 11.134 7.217 1.449) 13.348 2.667 ( 0.373 -3.014 -2.632) 4.019 3.168 ( -10.383 -6.541 -30.374) 32.759 5.853 ( -24.395 3.779 4.254) 25.050 7.121 ( 23.449 12.511 7.624) 27.649 10.276 ( -25.685 -12.420 6.748) 29.318 10.997 ( -4.884 6.454 8.117) 11.462 11.409 ( -3.159 -3.622 -9.452) 10.604 11.660 ( -18.124 -12.040 -6.657) 22.755 15.842 ( 13.747 3.043 5.458) 15.101 18.926 ( 6.463 3.412 15.801) 17.409 19.894 ( 4.626 -0.255 -18.082) 18.666 ======================= Grid point 32 (23/580) ======================= q-point: (-0.28 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 10.686 5.541 3.706) 12.595 2.606 ( -2.743 -4.091 -5.753) 7.573 2.788 ( -13.573 -5.584 -32.331) 35.506 5.428 ( -28.420 1.176 5.238) 28.922 7.727 ( 29.000 11.438 6.492) 31.843 9.395 ( -52.082 -24.682 3.615) 57.747 10.957 ( -6.200 1.042 7.471) 9.764 11.345 ( 2.633 -0.481 -6.074) 6.638 11.453 ( -3.468 1.780 -4.960) 6.308 16.072 ( 8.576 0.446 7.030) 11.098 19.115 ( 4.505 2.478 18.755) 19.447 19.947 ( 8.960 1.612 -22.908) 24.650 ======================= Grid point 33 (24/580) ======================= q-point: (-0.22 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -6.317 -4.894 2.520) 8.379 2.377 ( -1.552 -0.095 -29.838) 29.879 2.506 ( -9.275 -1.863 -6.923) 11.723 4.956 ( -27.387 -0.664 5.715) 27.985 8.129 ( -60.324 -24.687 -2.906) 65.245 8.375 ( 28.130 7.547 9.572) 30.658 10.870 ( -6.457 0.035 4.615) 7.936 11.408 ( 3.552 2.653 -1.261) 4.610 11.449 ( 1.332 2.532 -4.114) 5.011 16.204 ( 4.173 -0.922 9.807) 10.698 19.232 ( 1.075 0.575 12.851) 12.908 20.097 ( 13.202 3.477 -19.905) 24.137 ======================= Grid point 34 (25/580) ======================= q-point: (-0.17 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -20.323 -8.111 -21.509) 30.684 2.230 ( -17.400 -3.713 -3.227) 18.082 2.448 ( 3.250 2.019 -5.900) 7.032 4.535 ( -21.303 -1.110 5.078) 21.928 6.772 ( -65.041 -22.247 -0.186) 68.741 8.971 ( 27.707 6.135 4.496) 28.732 10.773 ( -6.196 0.496 2.385) 6.658 11.492 ( 2.827 2.404 1.015) 3.847 11.502 ( 3.317 1.872 -3.088) 4.903 16.275 ( 1.142 -1.147 13.480) 13.577 19.256 ( -0.634 -0.481 1.486) 1.686 20.324 ( 14.195 3.667 -12.084) 19.000 ======================= Grid point 35 (26/580) ======================= q-point: (-0.11 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -22.287 -5.366 -16.995) 28.537 1.793 ( -27.026 -3.933 -1.949) 27.380 2.397 ( -9.949 -1.676 -2.496) 10.394 4.242 ( -13.048 -0.624 2.993) 13.402 5.497 ( -58.816 -13.042 -0.100) 60.245 9.470 ( 22.801 3.109 2.348) 23.132 10.686 ( -5.009 0.572 0.937) 5.128 11.557 ( 2.752 0.865 -0.238) 2.894 11.569 ( 2.684 1.338 -0.281) 3.012 16.320 ( -0.261 -0.611 15.424) 15.439 19.224 ( -1.099 -0.586 -7.321) 7.426 20.561 ( 12.364 2.275 -5.246) 13.622 ======================= Grid point 36 (27/580) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -23.223 -0.000 0.000) 23.223 1.233 ( -33.367 -0.000 0.000) 33.367 1.985 ( -36.419 -0.000 0.000) 36.419 4.077 ( -6.576 -0.000 0.000) 6.576 4.578 ( -37.198 -0.000 0.000) 37.198 9.828 ( 15.898 0.000 -0.000) 15.898 10.618 ( -3.233 -0.000 0.000) 3.233 11.604 ( 2.165 0.000 -0.000) 2.165 11.614 ( 1.747 0.000 -0.000) 1.747 16.349 ( -0.114 -0.000 0.000) 0.114 19.176 ( -1.442 -0.000 0.000) 1.442 20.751 ( 8.933 0.000 -0.000) 8.933 ======================= Grid point 39 (28/580) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.000 13.464 47.137) 49.022 1.420 ( 0.000 30.530 4.851) 30.913 2.294 ( -0.000 25.817 21.688) 33.718 4.105 ( 0.000 8.300 -3.099) 8.860 4.748 ( 0.000 46.351 -7.251) 46.914 9.767 ( -0.000 -16.559 -0.766) 16.577 10.568 ( 0.000 2.491 -6.432) 6.898 11.638 ( -0.000 -2.457 5.438) 5.967 11.639 ( -0.000 -1.479 4.712) 4.938 15.699 ( 0.000 28.823 -82.465) 87.357 19.507 ( -0.000 -20.417 35.653) 41.085 20.823 ( -0.000 -10.740 19.325) 22.109 ======================= Grid point 40 (29/580) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 6.242 10.309 38.842) 40.669 1.831 ( 10.867 24.383 5.819) 27.322 2.578 ( 2.065 9.454 24.698) 26.526 4.225 ( 3.574 13.420 -4.797) 14.693 5.432 ( 20.166 57.257 -6.099) 61.010 9.474 ( -11.129 -19.762 -2.537) 22.822 10.618 ( 3.956 3.609 -7.040) 8.845 11.611 ( -2.000 -2.459 5.148) 6.046 11.629 ( -1.296 -1.770 6.026) 6.413 15.781 ( 6.720 18.249 -58.673) 61.812 19.380 ( -3.487 -13.306 14.721) 20.147 20.739 ( -3.821 -12.381 21.799) 25.359 ======================= Grid point 41 (30/580) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 8.317 4.484 22.682) 24.572 2.245 ( 10.161 15.126 6.365) 19.302 2.735 ( -0.022 2.590 33.566) 33.666 4.489 ( 8.906 21.975 -6.401) 24.560 6.481 ( 35.053 56.169 -5.158) 66.410 9.007 ( -16.501 -21.841 -3.983) 27.662 10.708 ( 3.856 4.961 -7.354) 9.673 11.561 ( -3.086 -1.482 4.138) 5.370 11.601 ( -2.203 -1.908 7.184) 7.753 15.874 ( 6.527 8.621 -39.405) 40.861 19.234 ( -3.552 -7.896 -1.278) 8.752 20.595 ( -6.313 -13.064 23.521) 27.636 ======================= Grid point 42 (31/580) ======================= q-point: ( 0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 2.964 -3.329 3.131) 5.447 2.504 ( 5.377 5.968 6.406) 10.275 2.920 ( 3.549 3.877 45.394) 45.697 4.923 ( 12.537 30.269 -6.522) 33.405 7.645 ( 39.266 41.951 -10.585) 58.427 8.489 ( -16.020 -15.126 0.084) 22.033 10.796 ( 3.009 5.378 -7.423) 9.648 11.504 ( -3.964 0.052 3.537) 5.313 11.570 ( -2.059 -1.310 7.987) 8.352 15.913 ( 4.359 1.298 -26.358) 26.748 19.087 ( -3.619 -5.020 -11.273) 12.860 20.424 ( -7.133 -12.669 23.998) 28.059 ======================= Grid point 43 (32/580) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -4.155 -6.696 -3.410) 8.587 2.616 ( 2.530 -0.207 5.460) 6.021 3.207 ( 7.215 3.172 44.374) 45.069 5.448 ( 11.855 34.172 -5.722) 36.620 7.747 ( -16.317 -19.581 -16.253) 30.230 8.988 ( 38.746 39.889 3.874) 55.744 10.873 ( 2.910 5.023 -7.095) 9.167 11.452 ( -3.853 0.967 4.704) 6.156 11.568 ( -0.597 0.983 7.315) 7.405 15.872 ( 1.040 -4.636 -17.836) 18.458 18.932 ( -4.064 -3.772 -15.536) 16.495 20.261 ( -6.375 -11.217 22.237) 25.709 ======================= Grid point 44 (33/580) ======================= q-point: ( 0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -8.087 -6.014 -3.772) 10.761 2.643 ( 1.611 -3.791 3.820) 5.618 3.486 ( 7.095 -0.296 36.674) 37.355 5.935 ( 7.117 30.768 -4.993) 31.972 7.215 ( -18.439 -11.296 -13.589) 25.539 9.974 ( 29.789 27.307 0.041) 40.411 10.975 ( 4.519 8.347 -7.522) 12.110 11.450 ( 1.924 0.607 8.589) 8.823 11.629 ( 3.326 4.069 5.263) 7.437 15.733 ( -3.475 -9.310 -12.384) 15.877 18.775 ( -3.992 -3.137 -14.862) 15.705 20.128 ( -4.773 -9.171 17.994) 20.753 ======================= Grid point 45 (34/580) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -9.110 -3.149 -3.209) 10.159 2.632 ( 1.781 -5.764 2.403) 6.494 3.667 ( 4.478 -4.612 25.276) 26.081 6.192 ( -1.414 9.514 -6.075) 11.376 6.901 ( -13.257 16.435 -8.651) 22.819 10.455 ( 7.622 8.294 0.049) 11.264 11.092 ( -3.329 13.287 -6.410) 15.123 11.578 ( 3.656 2.465 6.825) 8.125 11.939 ( 27.857 6.328 5.223) 29.040 15.487 ( -8.246 -11.783 -8.755) 16.837 18.646 ( -2.606 -2.291 -11.000) 11.535 20.028 ( -3.172 -7.187 12.213) 14.521 ======================= Grid point 46 (35/580) ======================= q-point: ( 0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -7.083 1.057 -2.559) 7.605 2.612 ( 2.476 -6.640 1.220) 7.191 3.707 ( 0.822 -7.976 10.273) 13.032 6.117 ( -3.018 -3.580 -4.662) 6.607 6.962 ( -12.585 34.953 -3.034) 37.273 10.562 ( 1.545 1.363 1.702) 2.672 11.107 ( -7.073 12.993 -2.742) 15.045 11.646 ( -0.478 3.328 2.978) 4.492 12.547 ( 30.774 -1.273 2.315) 30.888 15.191 ( -8.911 -9.380 -5.443) 14.037 18.577 ( -0.048 -0.986 -5.730) 5.814 19.950 ( -1.932 -5.642 5.982) 8.447 ======================= Grid point 47 (36/580) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -2.172 5.270 -1.845) 5.991 2.597 ( 3.225 -6.653 0.185) 7.395 3.615 ( -2.280 -8.768 -5.197) 10.445 6.085 ( 3.413 -0.907 0.724) 3.605 7.043 ( -18.332 34.192 -0.250) 38.798 10.591 ( 0.600 -0.298 3.443) 3.508 11.112 ( -6.436 13.064 -0.719) 14.581 11.653 ( -3.061 2.980 0.666) 4.324 12.816 ( 8.043 -18.038 -2.320) 19.886 15.057 ( 3.056 -0.497 -1.126) 3.294 18.591 ( 3.044 0.657 0.003) 3.114 19.884 ( -0.968 -4.576 -0.248) 4.684 ======================= Grid point 48 (37/580) ======================= q-point: (-0.39 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 3.800 7.720 -1.010) 8.663 2.591 ( 3.555 -6.035 -0.755) 7.045 3.432 ( -4.971 -7.742 -16.461) 18.857 6.208 ( 7.564 2.059 4.181) 8.884 7.012 ( -20.823 29.078 1.905) 35.816 10.600 ( -0.982 -0.750 5.284) 5.426 11.145 ( -4.742 12.717 0.723) 13.592 11.602 ( -5.809 2.090 -1.113) 6.273 12.463 ( -17.000 -27.880 -5.841) 33.172 15.265 ( 15.987 3.619 1.700) 16.479 18.696 ( 6.079 2.393 6.050) 8.904 19.822 ( 0.036 -3.857 -6.611) 7.654 ======================= Grid point 49 (38/580) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 8.420 7.788 -0.052) 11.469 2.590 ( 2.957 -5.158 -1.740) 6.195 3.182 ( -8.414 -6.463 -21.935) 24.366 6.294 ( -9.452 7.106 4.238) 12.562 7.029 ( -1.349 18.892 4.020) 19.362 10.531 ( -10.302 -3.130 7.121) 12.909 11.202 ( -4.049 11.615 3.372) 12.754 11.453 ( -11.183 -5.739 -4.400) 13.318 11.816 ( -19.331 -19.015 -6.827) 27.962 15.602 ( 17.404 1.592 2.398) 17.641 18.884 ( 8.126 3.722 12.644) 15.484 19.767 ( 1.695 -3.240 -13.596) 14.079 ======================= Grid point 50 (39/580) ======================= q-point: (-0.28 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 10.597 6.092 1.214) 12.283 2.566 ( 0.333 -4.741 -4.039) 6.237 2.873 ( -11.889 -4.728 -21.530) 25.044 6.024 ( -29.705 8.964 3.815) 31.262 7.389 ( 21.652 10.066 4.198) 24.244 10.029 ( -41.490 -15.180 4.859) 44.446 11.091 ( -8.378 -6.449 2.382) 10.838 11.306 ( 1.254 5.757 -3.766) 6.993 11.539 ( -6.583 0.584 -3.331) 7.401 15.889 ( 13.910 -0.581 2.851) 14.211 19.114 ( 6.982 3.730 19.313) 20.872 19.740 ( 5.609 -2.156 -20.991) 21.834 ======================= Grid point 51 (40/580) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 9.635 2.792 5.149) 11.275 2.400 ( -11.410 -4.992 -18.997) 22.715 2.609 ( -7.448 -1.301 -7.201) 10.441 5.542 ( -34.172 5.464 3.476) 34.781 7.933 ( 29.128 6.199 2.446) 29.881 8.973 ( -58.237 -17.693 2.257) 60.907 10.974 ( -3.863 -1.813 2.079) 4.747 11.386 ( 2.145 4.884 -1.541) 5.552 11.470 ( -2.393 1.981 -1.507) 3.453 16.093 ( 9.635 -1.282 3.582) 10.359 19.277 ( 0.817 1.461 17.389) 17.470 19.819 ( 13.115 0.244 -20.043) 23.954 ======================= Grid point 52 (41/580) ======================= q-point: (-0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -19.519 -4.376 -8.232) 21.631 2.353 ( 7.641 2.206 -2.771) 8.422 2.448 ( -10.213 -0.832 -2.492) 10.546 5.012 ( -31.032 1.847 2.330) 31.174 7.746 ( -65.172 -10.465 -0.712) 66.010 8.513 ( 30.462 2.266 2.841) 30.678 10.891 ( -5.622 0.092 1.109) 5.731 11.459 ( 2.713 1.840 -1.679) 3.683 11.478 ( 1.243 1.545 0.669) 2.093 16.228 ( 5.957 -0.804 3.685) 7.051 19.295 ( -2.613 -0.185 5.204) 5.826 20.048 ( 16.388 1.266 -8.172) 18.356 ======================= Grid point 53 (42/580) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -22.263 -0.000 0.000) 22.263 2.183 ( -19.310 -0.000 0.000) 19.310 2.451 ( 1.829 0.000 -0.000) 1.829 4.553 ( -22.602 -0.000 0.000) 22.602 6.536 ( -66.537 -0.000 0.000) 66.537 9.042 ( 28.119 0.000 -0.000) 28.119 10.790 ( -6.132 -0.000 0.000) 6.132 11.511 ( 2.854 0.000 -0.000) 2.854 11.528 ( 2.788 0.000 -0.000) 2.788 16.310 ( 3.078 0.000 -0.000) 3.078 19.250 ( -2.770 -0.000 0.000) 2.770 20.321 ( 15.216 0.000 -0.000) 15.216 ======================= Grid point 58 (43/580) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.000 6.671 31.416) 32.117 1.993 ( 0.000 22.434 5.954) 23.210 2.729 ( -0.000 4.755 30.996) 31.359 4.315 ( 0.000 15.469 -4.191) 16.026 5.868 ( 0.000 66.212 -6.918) 66.572 9.361 ( -0.000 -22.409 -2.183) 22.515 10.587 ( 0.000 4.210 -8.189) 9.208 11.613 ( -0.000 -3.991 6.701) 7.799 11.643 ( -0.000 -2.171 7.252) 7.570 15.731 ( 0.000 18.266 -52.652) 55.730 19.309 ( -0.000 -12.517 5.918) 13.845 20.711 ( -0.000 -14.394 23.439) 27.506 ======================= Grid point 59 (44/580) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 3.445 0.446 18.648) 18.969 2.273 ( 6.220 15.346 6.174) 17.672 2.875 ( 0.261 2.023 38.445) 38.499 4.542 ( 7.342 21.355 -4.790) 23.084 6.644 ( 14.582 64.446 -7.270) 66.474 9.022 ( -10.970 -22.214 -2.281) 24.880 10.651 ( 4.497 4.813 -8.482) 10.739 11.585 ( -0.885 -3.898 6.542) 7.667 11.634 ( -1.124 -2.407 7.912) 8.346 15.763 ( 2.926 11.991 -40.843) 42.667 19.187 ( -1.778 -8.765 -4.080) 9.830 20.611 ( -3.033 -15.345 24.161) 28.782 ======================= Grid point 60 (45/580) ======================= q-point: ( 0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 3.181 -5.940 5.768) 8.869 2.504 ( 4.490 6.979 5.702) 10.068 3.048 ( 2.059 1.801 44.518) 44.601 4.972 ( 14.362 28.983 -4.957) 32.724 7.515 ( 20.940 43.480 -13.114) 50.009 8.617 ( -12.106 -7.910 2.558) 14.686 10.755 ( 4.490 4.726 -7.998) 10.318 11.556 ( -1.027 -2.085 5.340) 5.823 11.612 ( -1.695 -2.093 8.201) 8.631 15.783 ( 2.806 4.434 -29.565) 30.027 19.051 ( -2.639 -5.477 -11.706) 13.190 20.467 ( -4.789 -15.204 23.939) 28.760 ======================= Grid point 61 (46/580) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 0.313 -8.901 -1.249) 8.994 2.604 ( 1.069 0.663 4.969) 5.126 3.266 ( 4.722 0.197 43.592) 43.847 5.547 ( 15.666 34.047 -4.585) 37.758 7.697 ( -6.137 -16.128 -19.158) 25.784 8.917 ( 20.075 44.714 7.317) 49.556 10.837 ( 3.110 3.095 -6.413) 7.771 11.543 ( -2.107 1.418 3.387) 4.234 11.600 ( -0.429 -1.057 8.304) 8.382 15.747 ( 1.279 -2.559 -20.669) 20.866 18.909 ( -3.403 -3.571 -15.626) 16.387 20.308 ( -5.109 -13.946 22.222) 26.728 ======================= Grid point 62 (47/580) ======================= q-point: ( 0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -2.836 -7.989 -3.631) 9.223 2.605 ( -0.434 -3.593 4.114) 5.479 3.477 ( 5.621 -3.534 36.930) 37.522 6.093 ( 9.042 29.534 -4.700) 31.243 7.319 ( -9.704 -9.008 -15.171) 20.136 9.803 ( 26.252 38.344 3.187) 46.579 10.899 ( 5.019 1.111 -4.487) 6.823 11.530 ( -3.424 3.762 4.263) 6.637 11.640 ( 1.748 1.881 5.673) 6.227 15.637 ( -1.263 -8.201 -14.166) 16.417 18.762 ( -3.748 -2.711 -15.690) 16.357 20.162 ( -4.359 -11.840 18.638) 22.507 ======================= Grid point 63 (48/580) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -5.111 -4.325 -4.073) 7.837 2.559 ( -0.054 -6.645 3.153) 7.355 3.612 ( 4.243 -8.068 26.504) 28.028 6.280 ( -4.167 2.598 -7.464) 8.934 7.257 ( -2.996 27.723 -8.640) 29.192 10.437 ( 8.977 17.604 1.812) 19.844 11.097 ( 15.835 7.886 -5.656) 18.572 11.552 ( 0.572 4.275 7.663) 8.794 11.733 ( 5.042 3.290 3.083) 6.764 15.448 ( -4.519 -11.399 -9.572) 15.556 18.631 ( -2.891 -2.121 -12.741) 13.236 20.043 ( -3.270 -9.491 13.620) 16.920 ======================= Grid point 64 (49/580) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -5.783 0.808 -3.773) 6.952 2.501 ( 1.481 -8.667 2.172) 9.057 3.629 ( 1.466 -11.368 13.246) 17.517 6.128 ( -5.048 -4.868 -5.905) 9.167 7.542 ( -7.726 43.920 -4.014) 44.774 10.577 ( -0.436 3.478 2.262) 4.172 11.333 ( -1.880 13.732 -5.820) 15.033 11.685 ( 2.789 3.851 6.531) 8.079 12.001 ( 25.736 -3.582 2.187) 26.076 15.208 ( -6.579 -10.350 -6.124) 13.708 18.547 ( -0.598 -1.253 -8.141) 8.259 19.945 ( -2.395 -7.447 8.082) 11.248 ======================= Grid point 65 (50/580) ======================= q-point: ( 0.56 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -4.268 5.645 -3.120) 7.734 2.457 ( 3.416 -9.407 1.202) 10.080 3.534 ( -1.129 -11.536 -0.049) 11.591 6.037 ( 0.378 -2.018 -1.305) 2.432 7.764 ( -17.772 44.721 -1.345) 48.142 10.592 ( -0.081 0.110 3.007) 3.010 11.365 ( -6.876 13.717 -3.599) 15.761 11.744 ( -1.954 4.408 4.088) 6.322 12.351 ( 21.916 -18.639 -0.900) 28.785 15.027 ( -2.344 -4.144 -2.975) 5.614 18.539 ( 2.639 0.021 -2.993) 3.990 19.860 ( -1.869 -5.927 2.666) 6.763 ======================= Grid point 66 (51/580) ======================= q-point: (-0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.652 8.293 -2.247) 8.617 2.441 ( 4.937 -8.709 0.286) 10.015 3.375 ( -3.136 -9.178 -9.660) 13.688 6.093 ( 6.737 0.343 2.098) 7.064 7.796 ( -27.029 39.360 0.678) 47.752 10.609 ( 0.830 -0.101 3.844) 3.934 11.366 ( -6.419 12.021 -3.366) 14.037 11.741 ( -5.242 4.764 3.755) 8.017 12.299 ( 1.108 -29.711 -4.025) 30.003 15.068 ( 9.151 1.237 -0.517) 9.248 18.622 ( 6.178 1.567 2.155) 6.728 19.776 ( -1.566 -4.898 -2.465) 5.702 ======================= Grid point 67 (52/580) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 3.892 8.039 -1.269) 9.021 2.453 ( 5.287 -6.899 -0.539) 8.708 3.182 ( -5.721 -6.359 -13.921) 16.338 6.273 ( 10.733 1.702 3.274) 11.349 7.634 ( -30.943 29.680 1.832) 42.915 10.635 ( -1.053 1.241 5.163) 5.413 11.361 ( -4.467 7.869 -4.798) 10.242 11.645 ( -13.456 -3.299 5.291) 14.831 11.869 ( -11.332 -20.699 -6.119) 24.378 15.315 ( 16.490 0.814 0.389) 16.515 18.797 ( 9.442 3.011 7.242) 12.274 19.690 ( -1.227 -4.228 -7.537) 8.728 ======================= Grid point 68 (53/580) ======================= q-point: (-0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 7.782 5.693 -0.313) 9.647 2.474 ( 3.766 -4.685 -1.436) 6.180 2.957 ( -9.133 -3.907 -12.921) 16.298 6.434 ( -1.487 4.010 2.818) 5.122 7.421 ( -15.781 16.257 1.991) 22.744 10.525 ( -21.700 -1.565 6.206) 22.624 11.115 ( -11.817 -17.802 -6.556) 22.350 11.403 ( -3.932 5.296 0.965) 6.666 11.672 ( -7.617 2.721 -0.721) 8.120 15.614 ( 16.974 -0.738 0.651) 17.003 19.049 ( 11.427 3.891 12.986) 17.730 19.601 ( -0.227 -3.802 -13.433) 13.962 ======================= Grid point 69 (54/580) ======================= q-point: (-0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 9.987 2.572 0.518) 10.326 2.454 ( -2.371 -2.690 -3.265) 4.849 2.720 ( -10.042 -1.457 -6.570) 12.089 6.192 ( -30.121 4.514 1.618) 30.501 7.560 ( 17.427 4.504 1.238) 18.042 9.797 ( -50.161 -7.828 1.500) 50.790 10.964 ( 1.555 -3.549 -0.717) 3.941 11.413 ( -0.486 2.880 -0.565) 2.975 11.571 ( -6.744 2.315 0.050) 7.130 15.880 ( 14.117 -0.877 0.768) 14.165 19.324 ( 6.381 3.738 21.699) 22.924 19.541 ( 6.766 -3.293 -22.303) 23.538 ======================= Grid point 70 (55/580) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 10.136 0.000 -0.000) 10.136 2.275 ( -14.799 -0.000 0.000) 14.799 2.574 ( -6.037 -0.000 0.000) 6.037 5.620 ( -35.957 -0.000 0.000) 35.957 8.006 ( 28.796 0.000 -0.000) 28.796 8.789 ( -60.179 -0.000 0.000) 60.179 10.957 ( -1.577 -0.000 0.000) 1.577 11.433 ( 1.207 0.000 -0.000) 1.207 11.497 ( -2.743 -0.000 0.000) 2.743 16.088 ( 10.179 0.000 -0.000) 10.179 19.363 ( -3.633 -0.000 0.000) 3.633 19.741 ( 17.539 0.000 -0.000) 17.539 ======================= Grid point 77 (56/580) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -0.000 -4.988 12.035) 13.028 2.382 ( 0.000 12.537 5.819) 13.821 3.020 ( -0.000 1.028 42.312) 42.324 4.672 ( 0.000 22.484 -4.295) 22.891 7.140 ( 0.000 60.234 -10.047) 61.066 8.908 ( -0.000 -17.491 0.063) 17.491 10.630 ( 0.000 5.785 -9.213) 10.878 11.567 ( -0.000 -5.183 7.407) 9.040 11.642 ( -0.000 -3.204 8.604) 9.181 15.730 ( 0.000 10.432 -36.241) 37.712 19.101 ( 0.000 -6.924 -8.971) 11.332 20.555 ( -0.000 -16.615 24.202) 29.356 ======================= Grid point 78 (57/580) ======================= q-point: ( 0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 1.646 -9.682 5.324) 11.171 2.529 ( 2.555 7.017 5.197) 9.098 3.173 ( 1.026 -0.455 43.818) 43.833 4.997 ( 11.309 26.008 -4.038) 28.646 7.623 ( 4.263 24.952 -17.501) 30.774 8.797 ( -4.804 14.078 6.650) 16.293 10.700 ( 3.981 5.793 -9.057) 11.464 11.543 ( 0.519 -4.721 7.160) 8.592 11.632 ( -0.500 -3.225 8.438) 9.047 15.711 ( 0.480 5.359 -28.985) 29.480 18.995 ( -1.371 -4.278 -13.541) 14.267 20.445 ( -2.259 -16.760 23.551) 28.994 ======================= Grid point 79 (58/580) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 2.076 -12.046 0.458) 12.232 2.619 ( 0.560 1.798 4.266) 4.663 3.328 ( 2.617 -3.283 41.622) 41.834 5.541 ( 19.443 29.416 -3.462) 35.430 7.556 ( -4.258 -16.257 -19.535) 25.769 9.199 ( 6.488 50.126 7.594) 51.111 10.793 ( 3.336 4.196 -7.321) 9.074 11.548 ( 1.984 -2.124 5.310) 6.053 11.622 ( -0.416 -2.170 7.931) 8.233 15.653 ( -0.380 -0.870 -21.629) 21.650 18.879 ( -2.617 -2.355 -16.173) 16.551 20.305 ( -3.385 -15.714 21.831) 27.110 ======================= Grid point 80 (59/580) ======================= q-point: ( 0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 1.781 -11.434 -2.416) 11.821 2.615 ( -2.139 -1.976 3.554) 4.595 3.460 ( 3.809 -7.390 35.525) 36.485 6.149 ( 15.291 25.733 -3.381) 30.124 7.253 ( -1.196 -11.720 -16.780) 20.503 9.900 ( 13.203 46.594 4.876) 48.673 10.837 ( 1.155 0.698 -4.092) 4.309 11.600 ( 1.619 2.580 1.485) 3.389 11.636 ( 1.326 -0.633 8.020) 8.153 15.537 ( -1.647 -6.619 -15.219) 16.678 18.752 ( -3.572 -1.513 -16.170) 16.629 20.164 ( -3.424 -13.614 18.673) 23.361 ======================= Grid point 81 (60/580) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 1.123 -7.815 -3.888) 8.801 2.540 ( -3.395 -5.016 3.149) 6.827 3.532 ( 3.565 -11.677 26.078) 28.795 6.338 ( -4.578 -1.415 -7.377) 8.796 7.412 ( 14.890 26.350 -9.210) 31.637 10.540 ( 8.631 32.217 3.658) 33.553 10.859 ( 7.802 -2.694 -2.229) 8.549 11.647 ( -0.747 4.921 3.598) 6.142 11.714 ( 3.172 2.537 3.029) 5.067 15.369 ( -3.000 -10.286 -10.050) 14.690 18.625 ( -3.504 -1.275 -13.731) 14.228 20.039 ( -2.888 -10.965 14.246) 18.207 ======================= Grid point 82 (61/580) ======================= q-point: ( 0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.145 -1.809 -4.461) 4.816 2.429 ( -2.619 -7.921 2.861) 8.820 3.516 ( 1.997 -14.166 14.551) 20.406 6.153 ( -6.137 -5.628 -6.192) 10.377 7.983 ( 8.757 43.292 -5.031) 44.455 10.685 ( -5.818 5.749 2.820) 8.652 11.202 ( 21.684 4.615 -2.648) 22.327 11.710 ( -0.107 6.865 4.666) 8.302 11.791 ( 2.569 1.146 1.127) 3.031 15.175 ( -3.936 -10.041 -6.134) 12.407 18.526 ( -1.836 -1.008 -9.733) 9.956 19.936 ( -2.381 -8.399 9.297) 12.754 ======================= Grid point 83 (62/580) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -1.206 4.808 -4.353) 6.597 2.322 ( 0.278 -10.433 2.478) 10.727 3.423 ( 0.186 -13.291 3.563) 13.761 6.023 ( -2.130 -2.690 -2.483) 4.236 8.466 ( -6.544 49.072 -2.443) 49.567 10.635 ( -3.835 0.874 2.740) 4.794 11.498 ( 8.836 2.471 -5.126) 10.509 11.811 ( 7.624 -4.266 3.671) 9.476 11.835 ( 2.755 -1.969 2.170) 4.022 15.016 ( -2.823 -5.556 -3.331) 7.067 18.488 ( 1.283 -0.382 -5.195) 5.365 19.846 ( -2.209 -6.290 4.592) 8.095 ======================= Grid point 84 (63/580) ======================= q-point: (-0.39 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -2.226 8.933 -3.548) 9.866 2.259 ( 4.392 -11.024 1.771) 11.998 3.295 ( -1.257 -9.776 -4.081) 10.668 6.011 ( 3.002 -0.582 0.333) 3.075 8.681 ( -23.867 45.790 -0.054) 51.637 10.608 ( -0.216 -0.073 2.386) 2.396 11.557 ( -3.723 6.516 -5.317) 9.197 11.831 ( 13.733 -28.863 -2.503) 32.062 11.885 ( -2.647 5.335 6.359) 8.712 14.970 ( 2.521 -0.682 -1.522) 3.023 18.534 ( 5.161 0.585 -0.951) 5.280 19.760 ( -2.380 -4.676 0.573) 5.278 ======================= Grid point 85 (64/580) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.947 8.097 -2.153) 8.432 2.269 ( 7.137 -8.186 0.764) 10.887 3.162 ( -3.019 -5.735 -7.062) 9.585 6.114 ( 8.535 0.359 1.464) 8.667 8.547 ( -36.189 31.934 1.186) 48.279 10.648 ( 2.390 2.335 2.428) 4.130 11.498 ( -6.196 1.132 -5.117) 8.115 11.661 ( 0.079 -25.512 -0.963) 25.530 11.892 ( -4.873 5.612 3.329) 8.143 15.082 ( 10.494 0.446 -0.573) 10.519 18.672 ( 9.093 1.497 2.339) 9.507 19.672 ( -2.784 -3.393 -2.479) 5.040 ======================= Grid point 86 (65/580) ======================= q-point: (-0.28 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 2.984 4.034 -0.770) 5.077 2.336 ( 6.847 -3.665 -0.035) 7.766 3.025 ( -5.846 -2.449 -5.413) 8.336 6.311 ( 12.350 0.599 1.191) 12.422 8.115 ( -38.646 14.157 0.942) 41.168 10.739 ( 1.282 6.365 3.577) 7.413 11.179 ( -17.819 -17.780 -4.604) 25.590 11.499 ( -3.921 0.085 -0.461) 3.949 11.840 ( -7.261 3.396 1.248) 8.112 15.317 ( 15.934 -0.226 -0.113) 15.936 18.889 ( 12.657 1.658 3.849) 13.333 19.580 ( -3.334 -2.120 -3.914) 5.561 ======================= Grid point 87 (66/580) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 7.268 0.000 -0.000) 7.268 2.416 ( 3.961 0.000 -0.000) 3.961 2.873 ( -9.095 -0.000 0.000) 9.095 6.484 ( 1.841 0.000 -0.000) 1.841 7.609 ( -22.040 -0.000 0.000) 22.040 10.541 ( -38.247 -0.000 0.000) 38.247 10.878 ( 4.634 0.000 -0.000) 4.634 11.450 ( -2.280 -0.000 0.000) 2.280 11.721 ( -8.320 -0.000 0.000) 8.320 15.605 ( 16.746 0.000 -0.000) 16.746 19.155 ( 15.548 0.000 -0.000) 15.548 19.495 ( -3.910 -0.000 0.000) 3.910 ======================= Grid point 96 (67/580) ======================= q-point: ( 0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -0.000 -13.174 3.315) 13.585 2.588 ( -0.000 5.217 4.614) 6.965 3.287 ( -0.000 -3.368 42.357) 42.491 5.129 ( 0.000 24.866 -3.737) 25.145 7.629 ( 0.000 -6.825 -19.817) 20.959 9.155 ( 0.000 44.205 8.538) 45.022 10.695 ( 0.000 6.792 -9.648) 11.799 11.507 ( -0.000 -5.627 7.871) 9.676 11.626 ( -0.000 -3.767 8.335) 9.147 15.665 ( 0.000 3.021 -25.468) 25.646 18.927 ( 0.000 -2.242 -15.581) 15.741 20.368 ( -0.000 -17.192 22.678) 28.458 ======================= Grid point 97 (68/580) ======================= q-point: ( 0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 1.669 -15.194 0.898) 15.312 2.645 ( 0.236 2.190 3.784) 4.378 3.377 ( 0.991 -7.285 38.956) 39.644 5.493 ( 14.292 25.017 -3.179) 28.986 7.381 ( -3.483 -20.581 -18.956) 28.196 9.696 ( 0.750 54.360 7.051) 54.821 10.764 ( 2.999 6.506 -8.723) 11.288 11.495 ( 2.017 -4.660 7.240) 8.843 11.620 ( 0.302 -2.838 7.579) 8.098 15.590 ( -1.116 -1.371 -20.554) 20.630 18.847 ( -1.545 -0.582 -16.678) 16.760 20.256 ( -1.548 -16.386 20.990) 26.673 ======================= Grid point 98 (69/580) ======================= q-point: ( 0.39 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 3.517 -14.958 -1.272) 15.419 2.651 ( -1.986 -0.550 2.941) 3.591 3.427 ( 2.016 -11.721 32.891) 34.975 6.061 ( 20.999 23.102 -2.189) 31.296 7.060 ( -0.864 -17.233 -17.277) 24.418 10.261 ( 2.706 46.199 4.404) 46.487 10.848 ( 0.788 7.345 -4.622) 8.714 11.544 ( 5.146 -1.328 4.025) 6.667 11.635 ( 0.965 -0.971 6.874) 7.009 15.462 ( -2.488 -6.171 -15.309) 16.693 18.750 ( -3.097 0.105 -16.107) 16.403 20.132 ( -2.183 -14.372 18.125) 23.234 ======================= Grid point 99 (70/580) ======================= q-point: ( 0.44 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 5.357 -11.994 -2.862) 13.444 2.585 ( -4.663 -2.693 2.448) 5.915 3.425 ( 2.631 -15.282 24.237) 28.773 6.360 ( -2.351 -1.910 -6.085) 6.797 7.204 ( 28.134 15.958 -9.668) 33.759 10.673 ( 6.257 13.623 -1.042) 15.028 10.938 ( -5.721 24.254 3.359) 25.145 11.659 ( 5.397 2.978 -0.863) 6.224 11.683 ( 2.609 0.686 6.939) 7.445 15.289 ( -3.110 -9.598 -10.311) 14.426 18.639 ( -3.980 0.024 -13.746) 14.311 20.017 ( -2.141 -11.533 14.108) 18.348 ======================= Grid point 100 (71/580) ======================= q-point: ( 0.50 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 6.745 -6.579 -3.775) 10.150 2.458 ( -6.407 -4.659 2.348) 8.262 3.373 ( 2.384 -16.147 14.296) 21.697 6.185 ( -6.325 -5.772 -5.800) 10.342 7.987 ( 32.091 31.068 -5.285) 44.978 10.753 ( 2.872 -5.632 -0.491) 6.341 11.137 ( -4.563 23.525 3.559) 24.226 11.757 ( 3.311 2.296 6.000) 7.227 11.780 ( 2.544 4.196 -2.875) 5.687 15.112 ( -2.552 -9.606 -6.037) 11.629 18.532 ( -3.391 -0.251 -10.118) 10.674 19.920 ( -1.950 -8.522 9.562) 12.956 ======================= Grid point 101 (72/580) ======================= q-point: ( 0.56 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 7.018 0.102 -4.165) 8.162 2.294 ( -6.385 -6.872 2.540) 9.718 3.288 ( 1.535 -13.566 5.414) 14.687 6.038 ( -3.773 -2.883 -2.843) 5.534 8.813 ( 21.468 40.631 -3.379) 46.078 10.722 ( -1.144 -3.299 1.653) 3.863 11.210 ( 0.611 -3.553 0.696) 3.672 11.799 ( -1.788 1.622 -3.223) 4.027 11.874 ( 2.848 5.086 4.885) 7.606 14.984 ( -1.249 -5.842 -3.015) 6.692 18.462 ( -1.010 -0.288 -6.063) 6.154 19.838 ( -2.003 -5.848 5.313) 8.151 ======================= Grid point 102 (73/580) ======================= q-point: ( 0.61 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 4.871 6.982 -4.363) 9.566 2.131 ( -3.152 -9.927 3.036) 10.849 3.200 ( 0.512 -8.770 -0.371) 8.793 5.979 ( -0.193 -0.939 -0.622) 1.142 9.439 ( -3.723 48.370 -1.047) 48.525 10.656 ( -4.847 -0.088 1.799) 5.171 11.141 ( 14.803 -31.761 -1.417) 35.070 11.746 ( -5.008 2.598 -3.393) 6.583 11.974 ( 0.836 4.641 4.532) 6.540 14.933 ( 0.450 -1.637 -1.383) 2.190 18.460 ( 2.732 0.020 -2.438) 3.661 19.765 ( -2.393 -3.659 1.960) 4.791 ======================= Grid point 103 (74/580) ======================= q-point: (-0.33 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -3.245 9.313 -3.195) 10.367 2.055 ( 7.058 -9.985 2.454) 12.472 3.130 ( -0.785 -3.807 -2.163) 4.448 6.007 ( 4.149 -0.108 0.285) 4.160 9.492 ( -36.008 29.128 0.737) 46.320 10.633 ( 1.947 2.150 0.532) 2.949 11.155 ( 20.793 -26.380 -1.569) 33.626 11.663 ( -6.211 2.015 -1.893) 6.798 12.015 ( -2.175 3.072 2.571) 4.558 14.959 ( 4.082 0.028 -0.547) 4.119 18.542 ( 6.864 0.351 -0.090) 6.874 19.694 ( -2.996 -1.815 -0.055) 3.503 ======================= Grid point 104 (75/580) ======================= q-point: (-0.28 0.28 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -2.561 -0.000 0.000) 2.561 2.173 ( 9.360 0.000 -0.000) 9.360 3.078 ( -2.859 -0.000 0.000) 2.859 6.123 ( 9.086 0.000 -0.000) 9.086 8.916 ( -42.755 -0.000 0.000) 42.755 10.713 ( 4.228 0.000 -0.000) 4.228 11.242 ( 1.707 0.000 -0.000) 1.707 11.567 ( -4.911 -0.000 0.000) 4.911 11.971 ( -5.165 -0.000 0.000) 5.165 15.083 ( 10.435 0.000 -0.000) 10.435 18.697 ( 10.454 0.000 -0.000) 10.454 19.627 ( -3.541 -0.000 0.000) 3.541 ======================= Grid point 115 (76/580) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -0.000 -17.497 0.389) 17.501 2.675 ( -0.000 1.451 3.214) 3.527 3.395 ( -0.000 -11.892 35.086) 37.046 5.584 ( 0.000 21.994 -3.153) 22.219 7.133 ( 0.000 -22.376 -17.745) 28.558 10.262 ( 0.000 52.956 6.420) 53.344 10.772 ( 0.000 6.895 -9.318) 11.592 11.449 ( -0.000 -5.212 7.930) 9.489 11.620 ( -0.000 -0.585 6.970) 6.995 15.513 ( 0.000 -4.054 -17.917) 18.370 18.808 ( 0.000 0.873 -16.546) 16.569 20.173 ( -0.000 -15.821 19.433) 25.059 ======================= Grid point 116 (77/580) ======================= q-point: ( 0.39 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 2.827 -17.959 -0.699) 18.194 2.685 ( -1.095 0.086 2.489) 2.720 3.365 ( 0.726 -16.223 29.082) 33.308 5.928 ( 16.046 19.663 -2.307) 25.484 6.845 ( -1.579 -18.942 -15.855) 24.752 10.671 ( -4.944 25.171 -0.448) 25.656 10.924 ( 6.609 23.460 -1.849) 24.443 11.455 ( 3.465 -3.728 6.388) 8.168 11.662 ( -0.594 5.652 6.183) 8.398 15.386 ( -1.858 -7.625 -14.303) 16.315 18.752 ( -1.928 1.441 -15.283) 15.471 20.073 ( -0.936 -13.966 16.827) 21.888 ======================= Grid point 117 (78/580) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 6.576 -15.540 -1.906) 16.982 2.647 ( -3.616 -1.176 1.831) 4.220 3.293 ( 1.724 -18.357 21.121) 28.036 6.334 ( 4.144 2.246 -3.405) 5.815 6.789 ( 23.893 3.439 -10.588) 26.360 10.717 ( -2.567 4.317 -3.284) 6.001 11.290 ( 2.768 24.841 5.033) 25.496 11.547 ( 7.893 -0.065 0.941) 7.949 11.744 ( -3.710 13.458 5.424) 14.977 15.211 ( -2.904 -10.279 -10.154) 14.737 18.670 ( -3.671 1.182 -12.710) 13.282 19.977 ( -1.251 -11.079 13.113) 17.212 ======================= Grid point 118 (79/580) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 10.083 -10.246 -2.634) 14.614 2.547 ( -6.493 -2.141 1.486) 6.996 3.207 ( 2.615 -16.756 12.605) 21.130 6.216 ( -5.596 -5.293 -4.919) 9.139 7.531 ( 42.989 17.048 -4.468) 46.461 10.683 ( -1.263 -2.057 -1.533) 2.860 11.524 ( -1.912 16.644 7.078) 18.188 11.701 ( 7.729 2.103 -2.192) 8.305 11.807 ( -6.479 12.443 2.293) 14.215 15.035 ( -2.000 -9.826 -5.974) 11.672 18.571 ( -4.370 0.579 -9.165) 10.170 19.896 ( -1.297 -7.777 8.815) 11.827 ======================= Grid point 119 (80/580) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 12.143 -4.142 -2.585) 13.088 2.394 ( -8.753 -2.756 1.362) 9.277 3.139 ( 2.765 -11.827 5.443) 13.310 6.074 ( -4.541 -2.594 -2.519) 5.805 8.488 ( 46.114 19.885 -2.785) 50.296 10.633 ( 0.264 -5.351 -0.186) 5.361 11.528 ( -20.307 12.778 3.981) 24.320 11.800 ( 1.194 -0.025 1.412) 1.849 11.846 ( 5.801 3.209 -1.876) 6.890 14.925 ( 0.186 -5.820 -2.651) 6.398 18.481 ( -3.351 0.104 -5.357) 6.320 19.832 ( -1.469 -4.688 4.789) 6.861 ======================= Grid point 120 (81/580) ======================= q-point: ( 0.61 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 12.721 0.312 -1.898) 12.866 2.206 ( -9.907 -2.787 1.182) 10.359 3.105 ( 2.105 -5.577 1.065) 6.056 5.992 ( -2.449 -0.786 -0.730) 2.674 9.477 ( 42.953 23.015 -1.453) 48.752 10.585 ( 1.834 -8.842 0.423) 9.040 11.124 ( -30.114 -3.383 0.930) 30.318 11.812 ( -1.082 0.929 -1.310) 1.936 11.970 ( 4.641 2.058 1.566) 5.313 14.899 ( 1.305 -1.687 -0.841) 2.292 18.433 ( -0.539 -0.031 -2.051) 2.121 19.780 ( -1.918 -2.107 1.714) 3.325 ======================= Grid point 121 (82/580) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 12.467 0.000 -0.000) 12.467 2.015 ( -9.733 -0.000 0.000) 9.733 3.105 ( 0.892 0.000 -0.000) 0.892 5.969 ( 0.396 0.000 -0.000) 0.396 10.321 ( -30.983 -0.000 0.000) 30.983 10.407 ( 41.528 0.000 -0.000) 41.528 10.663 ( -7.684 -0.000 0.000) 7.684 11.765 ( -4.479 -0.000 0.000) 4.479 12.039 ( 1.496 0.000 -0.000) 1.496 14.915 ( 1.527 0.000 -0.000) 1.527 18.453 ( 3.302 0.000 -0.000) 3.302 19.734 ( -2.533 -0.000 0.000) 2.533 ======================= Grid point 134 (83/580) ======================= q-point: ( 0.39 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 -19.693 -0.723) 19.706 2.703 ( -0.000 -0.023 1.990) 1.990 3.265 ( -0.000 -19.610 23.637) 30.713 5.948 ( 0.000 15.843 -2.476) 16.036 6.634 ( 0.000 -15.931 -13.060) 20.600 10.844 ( 0.000 5.806 -7.781) 9.708 11.101 ( 0.000 20.098 4.404) 20.575 11.405 ( -0.000 -4.035 6.948) 8.035 11.847 ( 0.000 24.955 5.626) 25.582 15.270 ( 0.000 -10.116 -12.228) 15.870 18.740 ( 0.000 1.976 -13.490) 13.633 20.000 ( -0.000 -12.285 14.502) 19.006 ======================= Grid point 135 (84/580) ======================= q-point: ( 0.44 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 5.180 -18.262 -1.251) 19.023 2.692 ( -1.834 -0.464 1.387) 2.346 3.139 ( 1.031 -19.518 16.685) 25.698 6.229 ( 13.474 10.346 -1.004) 17.017 6.473 ( 4.545 -8.422 -10.400) 14.134 10.817 ( -5.141 3.702 -4.581) 7.818 11.313 ( 8.302 5.321 2.732) 10.232 11.430 ( 4.617 -2.267 4.522) 6.849 12.122 ( -5.796 32.467 4.698) 33.313 15.108 ( -1.562 -11.727 -9.176) 14.972 18.699 ( -2.262 1.685 -10.633) 11.000 19.927 ( -0.479 -9.470 11.057) 14.566 ======================= Grid point 136 (85/580) ======================= q-point: ( 0.50 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 11.037 -12.050 -1.644) 16.424 2.635 ( -4.559 -0.814 0.865) 4.712 3.037 ( 2.550 -14.879 9.542) 17.859 6.239 ( -4.077 -4.127 -3.615) 6.835 6.920 ( 37.937 8.349 -3.280) 38.983 10.733 ( -5.328 0.450 -1.866) 5.663 11.508 ( 8.747 0.802 6.176) 10.738 11.549 ( 9.152 0.661 -2.334) 9.468 12.262 ( -13.991 24.827 2.803) 28.636 14.944 ( -1.241 -9.970 -5.430) 11.420 18.628 ( -4.067 0.962 -6.991) 8.145 19.869 ( -0.666 -6.059 6.936) 9.234 ======================= Grid point 137 (86/580) ======================= q-point: ( 0.56 0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 14.198 -4.466 -1.183) 14.931 2.524 ( -7.452 -0.804 0.515) 7.513 3.000 ( 3.521 -7.417 3.639) 8.981 6.125 ( -4.483 -1.700 -1.574) 5.046 7.754 ( 49.065 6.386 -1.434) 49.500 10.641 ( -4.178 -1.113 -0.473) 4.349 11.677 ( 7.410 0.731 4.811) 8.865 11.715 ( 9.426 0.937 -2.783) 9.873 12.122 ( -23.292 10.460 0.475) 25.537 14.853 ( 0.781 -4.631 -1.981) 5.097 18.540 ( -4.588 0.300 -3.216) 5.611 19.828 ( -0.887 -2.753 3.005) 4.171 ======================= Grid point 138 (87/580) ======================= q-point: (-0.39 -0.61 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 14.487 0.000 -0.000) 14.487 2.370 ( -9.616 -0.000 0.000) 9.616 3.030 ( 3.274 0.000 -0.000) 3.274 6.042 ( -3.847 -0.000 0.000) 3.847 8.689 ( 53.301 0.000 -0.000) 53.301 10.572 ( -2.715 -0.000 0.000) 2.715 11.684 ( -30.841 -0.000 0.000) 30.841 11.790 ( 3.760 0.000 -0.000) 3.760 11.872 ( 7.541 0.000 -0.000) 7.541 14.856 ( 1.984 0.000 -0.000) 1.984 18.464 ( -3.342 -0.000 0.000) 3.342 19.800 ( -1.328 -0.000 0.000) 1.328 ======================= Grid point 154 (88/580) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -0.000 -18.297 -0.969) 18.323 2.709 ( -0.000 -0.279 0.947) 0.987 2.990 ( -0.000 -16.616 11.073) 19.968 6.177 ( 0.000 8.175 -1.417) 8.297 6.343 ( 0.000 -6.984 -6.381) 9.460 10.897 ( 0.000 3.389 -4.591) 5.706 11.259 ( -0.000 0.649 2.199) 2.293 11.379 ( -0.000 -2.230 4.243) 4.793 12.511 ( 0.000 29.200 3.939) 29.464 14.974 ( 0.000 -11.710 -6.999) 13.643 18.706 ( 0.000 1.426 -7.568) 7.701 19.880 ( -0.000 -6.755 7.852) 10.358 ======================= Grid point 155 (89/580) ======================= q-point: ( 0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 9.085 -10.485 -0.792) 13.896 2.690 ( -2.166 -0.223 0.427) 2.219 2.899 ( 1.762 -9.171 5.180) 10.679 6.252 ( -2.102 -2.282 -1.928) 3.653 6.436 ( 21.991 3.452 -1.791) 22.332 10.843 ( -6.326 1.100 -1.650) 6.630 11.356 ( 8.856 0.117 0.835) 8.897 11.421 ( 5.340 -0.773 1.759) 5.675 12.685 ( -8.407 16.395 2.113) 18.546 14.852 ( -0.322 -7.374 -3.547) 8.189 18.677 ( -2.435 0.704 -3.813) 4.578 19.846 ( -0.235 -3.362 3.882) 5.140 ======================= Grid point 156 (90/580) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 14.115 0.000 -0.000) 14.115 2.629 ( -4.878 -0.000 0.000) 4.878 2.906 ( 3.251 0.000 -0.000) 3.251 6.185 ( -3.686 -0.000 0.000) 3.686 6.998 ( 39.592 0.000 -0.000) 39.592 10.730 ( -6.321 -0.000 0.000) 6.321 11.533 ( 10.644 0.000 -0.000) 10.644 11.545 ( 8.378 0.000 -0.000) 8.378 12.544 ( -17.355 -0.000 0.000) 17.355 14.810 ( 0.469 0.000 -0.000) 0.469 18.615 ( -4.199 -0.000 0.000) 4.199 19.830 ( -0.468 -0.000 0.000) 0.468 ======================= Grid point 175 (91/580) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 820 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -0.000 0.000 0.000) 0.000 2.708 ( -0.000 0.000 0.000) 0.000 2.843 ( -0.000 0.000 0.000) 0.000 6.255 ( -0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 10.917 ( 0.000 0.000 -0.000) 0.000 11.266 ( 0.000 0.000 0.000) 0.000 11.371 ( -0.000 0.000 0.000) 0.000 12.851 ( 0.000 0.000 0.000) 0.000 14.807 ( -0.000 0.000 0.000) 0.000 18.696 ( 0.000 0.000 -0.000) 0.000 19.837 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 350 (92/580) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( -0.000 0.000 19.724) 19.724 0.193 ( -0.000 0.000 19.724) 19.724 0.905 ( -0.000 0.000 91.921) 91.921 3.959 ( 0.000 -0.000 -4.047) 4.047 3.959 ( 0.000 -0.000 -4.047) 4.047 10.546 ( 0.000 -0.000 -4.522) 4.522 10.546 ( 0.000 -0.000 -4.522) 4.522 10.970 ( 0.000 -0.000 -9.496) 9.496 11.665 ( -0.000 0.000 4.174) 4.174 11.665 ( -0.000 0.000 4.174) 4.174 20.912 ( -0.000 0.000 0.334) 0.334 22.240 ( -0.000 0.000 0.640) 0.640 ======================= Grid point 351 (93/580) ======================= q-point: ( 0.11 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 29.244 16.884 8.158) 34.739 1.005 ( 21.997 12.700 34.902) 43.167 1.541 ( 33.025 19.067 52.328) 64.748 3.958 ( 1.987 1.147 -6.401) 6.800 4.155 ( 15.782 9.112 -6.102) 19.218 10.000 ( -10.361 -5.982 -1.562) 12.066 10.549 ( 1.355 0.782 -5.326) 5.551 11.634 ( -1.331 -0.768 1.155) 1.922 11.664 ( -1.164 -0.672 5.050) 5.226 14.552 ( 93.486 53.974 -162.371) 194.980 20.282 ( -52.199 -30.137 66.892) 90.042 21.038 ( -13.128 -7.579 36.765) 39.768 ======================= Grid point 352 (94/580) ======================= q-point: ( 0.17 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 26.884 15.521 7.812) 32.011 1.522 ( 13.927 8.041 45.285) 48.056 2.343 ( 19.633 11.335 29.527) 37.226 4.019 ( 5.736 3.312 -8.576) 10.836 4.781 ( 41.256 23.819 -5.029) 47.903 9.689 ( -15.891 -9.175 -5.726) 19.222 10.575 ( 2.535 1.464 -6.170) 6.830 11.594 ( -2.541 -1.467 1.810) 3.448 11.644 ( -2.111 -1.219 5.933) 6.414 15.448 ( 33.058 19.086 -84.739) 92.940 19.657 ( -21.493 -12.409 32.656) 41.016 20.904 ( -9.552 -5.515 24.779) 27.123 ======================= Grid point 353 (95/580) ======================= q-point: ( 0.22 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 11.644 6.722 30.524) 33.354 2.045 ( 20.219 11.674 8.581) 24.874 2.673 ( 3.414 1.971 33.306) 33.538 4.187 ( 11.836 6.833 -10.013) 16.942 5.953 ( 58.098 33.543 -3.541) 67.179 9.229 ( -21.725 -12.543 -7.614) 26.215 10.625 ( 3.677 2.123 -7.146) 8.312 11.532 ( -3.344 -1.931 2.564) 4.635 11.607 ( -2.849 -1.645 6.955) 7.694 15.780 ( 16.610 9.590 -49.598) 53.177 19.360 ( -11.230 -6.484 7.396) 14.928 20.744 ( -11.172 -6.450 24.681) 27.849 ======================= Grid point 354 (96/580) ======================= q-point: ( 0.28 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 1.441 0.832 5.120) 5.383 2.438 ( 11.360 6.559 8.036) 15.383 2.881 ( 5.059 2.921 49.958) 50.299 4.510 ( 18.660 10.774 -9.596) 23.587 7.329 ( 59.929 34.600 -5.248) 69.399 8.652 ( -25.213 -14.557 -7.181) 29.986 10.694 ( 4.303 2.485 -8.219) 9.604 11.464 ( -3.083 -1.780 3.604) 5.066 11.563 ( -2.996 -1.730 8.114) 8.821 15.931 ( 8.178 4.722 -31.221) 32.618 19.150 ( -7.385 -4.264 -6.758) 10.881 20.559 ( -11.545 -6.666 24.630) 28.006 ======================= Grid point 355 (97/580) ======================= q-point: ( 0.33 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -7.673 -4.430 -2.748) 9.277 2.640 ( 4.659 2.690 6.091) 8.127 3.218 ( 8.463 4.886 49.908) 50.856 4.959 ( 21.809 12.592 -7.598) 26.305 7.925 ( -23.402 -13.511 -18.684) 32.853 8.742 ( 51.004 29.447 4.126) 59.039 10.762 ( 3.772 2.178 -8.906) 9.914 11.434 ( 0.084 0.048 5.124) 5.125 11.530 ( -2.101 -1.213 8.907) 9.231 15.957 ( 1.288 0.743 -20.700) 20.753 18.965 ( -5.908 -3.411 -13.172) 14.834 20.381 ( -10.399 -6.004 22.720) 25.698 ======================= Grid point 356 (98/580) ======================= q-point: ( 0.39 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -10.866 -6.273 -3.084) 12.920 2.719 ( 1.261 0.728 4.037) 4.292 3.551 ( 6.750 3.897 41.498) 42.223 5.432 ( 20.184 11.653 -5.385) 23.920 7.271 ( -25.623 -14.794 -15.869) 33.574 9.833 ( 38.253 22.085 -0.634) 44.176 10.803 ( 2.134 1.232 -8.147) 8.512 11.529 ( -0.401 -0.231 8.204) 8.217 11.570 ( 12.211 7.050 6.970) 15.729 15.850 ( -5.680 -3.279 -14.514) 15.927 18.794 ( -4.840 -2.794 -13.695) 14.792 20.231 ( -8.338 -4.814 18.472) 20.830 ======================= Grid point 357 (99/580) ======================= q-point: ( 0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -10.436 -6.025 -2.729) 12.356 2.740 ( -0.107 -0.062 2.364) 2.367 3.778 ( 2.371 1.369 29.379) 29.506 5.833 ( 15.275 8.819 -3.400) 17.963 6.689 ( -19.543 -11.283 -13.823) 26.463 10.408 ( 12.837 7.412 -0.006) 14.823 10.811 ( 0.736 0.425 -5.674) 5.737 11.558 ( 0.669 0.387 5.651) 5.704 12.109 ( 30.601 17.668 6.270) 35.887 15.600 ( -12.052 -6.958 -10.597) 17.492 18.661 ( -3.052 -1.762 -10.443) 11.021 20.115 ( -6.173 -3.564 12.607) 14.483 ======================= Grid point 358 (100/580) ======================= q-point: ( 0.50 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -6.466 -3.733 -2.369) 7.833 2.738 ( -0.475 -0.274 1.022) 1.160 3.840 ( -2.986 -1.724 12.292) 12.766 6.102 ( 8.458 4.883 -1.554) 9.890 6.317 ( -8.840 -5.104 -7.728) 12.803 10.564 ( 2.670 1.541 2.490) 3.963 10.810 ( 0.544 0.314 -2.514) 2.592 11.584 ( 0.197 0.114 2.238) 2.249 12.837 ( 26.722 15.428 2.947) 30.996 15.261 ( -13.000 -7.506 -6.884) 16.515 18.593 ( -0.453 -0.262 -5.426) 5.451 20.024 ( -4.350 -2.511 6.113) 7.912 ======================= Grid point 359 (101/580) ======================= q-point: (-0.44 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.555 0.320 -1.942) 2.045 2.728 ( -0.442 -0.255 -0.095) 0.519 3.731 ( -6.734 -3.888 -6.515) 10.145 6.207 ( 0.739 0.427 0.228) 0.884 6.241 ( 3.183 1.838 0.421) 3.699 10.605 ( 0.291 0.168 4.656) 4.668 10.827 ( 1.251 0.722 0.644) 1.582 11.573 ( -1.338 -0.772 -1.300) 2.019 13.161 ( -2.369 -1.368 -2.781) 3.901 15.095 ( 2.890 1.668 -1.067) 3.503 18.608 ( 2.540 1.467 0.277) 2.947 19.950 ( -2.868 -1.656 -0.541) 3.356 ======================= Grid point 360 (102/580) ======================= q-point: (-0.39 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 7.582 4.378 -1.370) 8.862 2.717 ( -0.449 -0.259 -1.048) 1.169 3.506 ( -8.652 -4.995 -20.158) 22.498 6.137 ( -6.999 -4.041 1.909) 8.305 6.451 ( 13.684 7.900 5.304) 16.667 10.610 ( -1.884 -1.088 6.850) 7.187 10.873 ( 2.023 1.168 3.770) 4.435 11.513 ( -2.878 -1.662 -4.815) 5.851 12.737 ( -28.989 -16.737 -6.831) 34.164 15.359 ( 16.220 9.365 2.570) 18.905 18.713 ( 5.478 3.163 6.500) 9.070 19.887 ( -1.447 -0.836 -7.447) 7.632 ======================= Grid point 361 (103/580) ======================= q-point: (-0.33 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 11.654 6.729 -0.776) 13.480 2.697 ( -0.948 -0.548 -1.867) 2.165 3.204 ( -10.888 -6.286 -26.733) 29.542 5.902 ( -13.840 -7.991 3.405) 16.340 6.887 ( 21.813 12.594 6.200) 25.939 10.502 ( -12.496 -7.215 8.988) 17.000 10.937 ( 1.672 0.965 7.010) 7.271 11.419 ( -3.046 -1.759 -8.336) 9.047 11.964 ( -31.276 -18.057 -7.842) 36.957 15.740 ( 14.625 8.444 2.996) 17.151 18.897 ( 7.407 4.276 13.311) 15.822 19.838 ( 0.530 0.306 -14.937) 14.950 ======================= Grid point 362 (104/580) ======================= q-point: (-0.28 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 12.500 7.217 -0.296) 14.436 2.652 ( -2.532 -1.462 -2.539) 3.872 2.827 ( -13.899 -8.025 -27.912) 32.197 5.534 ( -18.724 -10.810 4.609) 22.106 7.473 ( 26.637 15.379 4.875) 31.142 9.913 ( -41.618 -24.028 6.693) 48.520 10.971 ( -1.601 -0.925 8.595) 8.791 11.345 ( 0.059 0.034 -10.024) 10.024 11.457 ( -9.376 -5.413 -3.684) 11.437 16.031 ( 9.554 5.516 3.066) 11.451 19.118 ( 6.214 3.588 19.193) 20.490 19.829 ( 4.488 2.591 -21.904) 22.508 ======================= Grid point 363 (105/580) ======================= q-point: (-0.22 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 10.782 6.225 -0.252) 12.453 2.382 ( -16.912 -9.764 -24.866) 31.618 2.549 ( -6.068 -3.503 -2.919) 7.590 5.090 ( -20.393 -11.774 5.308) 24.139 8.110 ( 25.277 14.594 -0.656) 29.195 8.768 ( -54.413 -31.415 7.265) 63.249 10.910 ( -5.033 -2.906 4.634) 7.433 11.367 ( 3.659 2.113 -5.990) 7.331 11.390 ( 1.234 0.713 0.952) 1.714 16.209 ( 5.151 2.974 3.583) 6.944 19.266 ( 1.099 0.635 15.462) 15.514 19.933 ( 10.741 6.202 -19.781) 23.348 ======================= Grid point 364 (106/580) ======================= q-point: (-0.17 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -18.984 -10.961 -19.252) 29.175 2.331 ( -12.362 -7.137 -2.621) 14.512 2.385 ( 6.245 3.605 1.166) 7.304 4.657 ( -17.838 -10.299 5.051) 21.208 7.353 ( -60.001 -34.641 -2.815) 69.340 8.788 ( 24.679 14.248 6.550) 29.240 10.797 ( -5.106 -2.948 0.863) 5.959 11.449 ( 4.123 2.381 -2.023) 5.173 11.455 ( 3.182 1.837 2.742) 4.585 16.305 ( 2.319 1.339 3.699) 4.567 19.280 ( -1.936 -1.118 3.403) 4.071 20.175 ( 13.328 7.695 -8.948) 17.802 ======================= Grid point 365 (107/580) ======================= q-point: (-0.11 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -19.972 -11.531 -6.781) 24.038 1.947 ( -20.360 -11.755 -1.327) 23.547 2.442 ( -3.037 -1.753 2.302) 4.195 4.321 ( -12.133 -7.005 3.467) 14.433 5.967 ( -57.224 -33.038 -2.390) 66.120 9.338 ( 20.850 12.038 3.712) 24.360 10.691 ( -3.829 -2.210 -1.264) 4.598 11.534 ( 3.293 1.901 0.350) 3.819 11.537 ( 2.888 1.667 3.096) 4.550 16.346 ( 0.796 0.460 -1.002) 1.360 19.228 ( -2.226 -1.285 -1.698) 3.081 20.458 ( 11.973 6.913 -0.913) 13.855 ======================= Grid point 366 (108/580) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -19.005 -10.973 17.761) 28.232 1.393 ( -26.879 -15.518 0.601) 31.043 2.170 ( -23.929 -13.815 5.265) 28.128 4.115 ( -6.629 -3.827 1.016) 7.722 4.800 ( -39.868 -23.018 -3.298) 46.154 9.761 ( 14.624 8.443 1.877) 16.990 10.614 ( -2.294 -1.324 -2.629) 3.732 11.600 ( 2.112 1.219 1.953) 3.124 11.603 ( 1.890 1.091 2.714) 3.483 16.302 ( -2.390 -1.380 -29.795) 29.923 19.208 ( 0.493 0.284 15.841) 15.851 20.707 ( 8.795 5.078 4.493) 11.105 ======================= Grid point 369 (109/580) ======================= q-point: ( 0.11 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 32.589 8.964) 33.800 1.100 ( -0.000 32.329 24.107) 40.328 1.747 ( -0.000 28.265 67.886) 73.536 3.971 ( 0.000 3.962 -5.659) 6.908 4.101 ( 0.000 17.038 -9.417) 19.468 10.029 ( -0.000 -10.976 -1.018) 11.023 10.513 ( 0.000 0.874 -7.095) 7.149 11.669 ( -0.000 -0.038 3.444) 3.444 11.692 ( -0.000 -1.022 6.336) 6.418 14.021 ( 0.000 118.224 -146.855) 188.529 20.442 ( -0.000 -53.472 38.088) 65.650 21.174 ( -0.000 -25.797 47.220) 53.807 ======================= Grid point 370 (110/580) ======================= q-point: ( 0.17 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 17.303 27.504 8.636) 33.622 1.549 ( 9.617 14.310 36.842) 40.677 2.351 ( 11.514 22.281 47.362) 53.592 3.997 ( 0.536 7.434 -8.074) 10.988 4.492 ( 21.595 31.935 -8.324) 39.440 9.789 ( -11.032 -12.854 -4.861) 17.623 10.535 ( 2.685 2.221 -7.557) 8.322 11.649 ( -3.237 -0.009 3.699) 4.916 11.683 ( -1.405 -1.410 6.919) 7.200 14.864 ( 31.123 50.465 -100.480) 116.668 19.910 ( -16.783 -31.623 31.496) 47.683 21.053 ( -6.159 -11.577 30.604) 33.295 ======================= Grid point 371 (111/580) ======================= q-point: ( 0.22 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 17.458 20.259 9.382) 28.341 1.935 ( 9.364 6.678 30.547) 32.640 2.767 ( 4.136 6.437 42.107) 42.797 4.112 ( 5.139 12.675 -10.053) 16.975 5.438 ( 43.056 44.470 -5.414) 62.134 9.381 ( -16.354 -16.742 -7.314) 24.520 10.588 ( 2.538 4.239 -8.011) 9.412 11.594 ( -4.025 -0.619 3.914) 5.648 11.660 ( -2.267 -1.580 7.506) 7.998 15.400 ( 21.538 22.249 -63.725) 70.851 19.496 ( -12.281 -16.196 12.061) 23.635 20.913 ( -8.178 -10.465 26.803) 29.913 ======================= Grid point 372 (112/580) ======================= q-point: ( 0.28 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 3.837 0.129 11.451) 12.078 2.353 ( 11.627 11.401 9.360) 18.782 3.007 ( 3.147 3.194 50.600) 50.798 4.382 ( 11.088 19.986 -10.250) 25.049 6.718 ( 52.244 44.062 -5.150) 68.538 8.853 ( -20.394 -18.792 -7.900) 28.835 10.654 ( 2.507 5.521 -8.482) 10.426 11.527 ( -4.195 -0.904 4.446) 6.179 11.625 ( -2.808 -1.519 8.117) 8.722 15.688 ( 13.554 10.138 -41.144) 44.489 19.210 ( -8.416 -9.305 -2.411) 12.776 20.739 ( -9.469 -10.444 25.267) 28.934 ======================= Grid point 373 (113/580) ======================= q-point: ( 0.33 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -4.215 -4.833 0.085) 6.413 2.601 ( 5.662 3.738 7.481) 10.099 3.299 ( 6.415 3.485 52.639) 53.143 4.813 ( 14.863 25.506 -8.396) 30.692 7.884 ( 23.400 13.700 -21.204) 34.422 8.409 ( 6.030 6.205 6.586) 10.874 10.726 ( 2.293 6.002 -8.770) 10.871 11.470 ( -2.872 -0.728 5.432) 6.187 11.592 ( -2.537 -0.716 8.391) 8.795 15.818 ( 6.987 2.761 -27.247) 28.264 18.987 ( -6.291 -5.938 -10.539) 13.635 20.550 ( -9.447 -9.872 23.134) 26.868 ======================= Grid point 374 (114/580) ======================= q-point: ( 0.39 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -8.994 -6.442 -2.591) 11.362 2.701 ( 2.375 -0.565 5.074) 5.631 3.607 ( 6.503 1.686 45.824) 46.314 5.313 ( 14.200 26.689 -6.073) 30.836 7.477 ( -22.512 -17.378 -18.988) 34.195 9.382 ( 43.222 31.133 2.710) 53.336 10.793 ( 1.338 6.538 -8.493) 10.801 11.478 ( 3.076 -0.054 7.328) 7.948 11.588 ( -0.873 1.659 7.377) 7.612 15.807 ( 0.385 -2.936 -18.654) 18.887 18.801 ( -4.864 -4.051 -13.131) 14.577 20.371 ( -8.310 -8.666 19.493) 22.894 ======================= Grid point 375 (115/580) ======================= q-point: ( 0.44 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -10.637 -5.799 -3.085) 12.502 2.725 ( 1.118 -2.610 3.109) 4.210 3.830 ( 3.407 -1.796 34.582) 34.796 5.767 ( 10.119 23.586 -4.202) 26.006 6.882 ( -20.855 -11.335 -16.595) 28.962 10.220 ( 22.092 15.731 1.588) 27.167 10.847 ( -0.931 8.250 -6.958) 10.833 11.573 ( 1.304 0.379 6.937) 7.068 11.792 ( 21.499 9.323 6.149) 24.227 15.649 ( -6.444 -7.475 -13.252) 16.523 18.657 ( -3.087 -2.561 -11.562) 12.238 20.218 ( -6.665 -7.159 14.413) 17.418 ======================= Grid point 376 (116/580) ======================= q-point: ( 0.50 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -9.153 -3.267 -3.148) 10.215 2.718 ( 0.906 -3.486 1.619) 3.949 3.895 ( -1.841 -5.868 18.333) 19.337 6.066 ( 3.855 11.129 -3.616) 12.321 6.490 ( -13.226 5.499 -9.939) 17.434 10.525 ( 5.570 3.337 3.257) 7.264 10.875 ( -3.397 8.650 -3.632) 9.978 11.606 ( -0.457 1.598 3.526) 3.898 12.445 ( 33.683 11.331 3.560) 35.715 15.364 ( -11.187 -9.485 -9.219) 17.323 18.574 ( -0.572 -0.968 -7.550) 7.633 20.090 ( -5.068 -5.729 8.528) 11.456 ======================= Grid point 377 (117/580) ======================= q-point: ( 0.56 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -4.181 0.847 -3.062) 5.251 2.702 ( 1.125 -3.710 0.458) 3.904 3.775 ( -6.465 -8.130 -0.718) 10.412 6.113 ( 2.340 -1.795 -1.568) 3.340 6.466 ( -8.502 21.842 -1.880) 23.514 10.606 ( 1.631 0.194 5.130) 5.387 10.892 ( -3.302 8.312 -0.629) 8.966 11.607 ( -2.172 1.552 0.345) 2.692 13.002 ( 18.079 -0.715 -1.008) 18.121 15.096 ( -5.136 -4.367 -4.422) 8.063 18.573 ( 2.446 0.793 -2.443) 3.546 19.980 ( -3.748 -4.576 2.401) 6.384 ======================= Grid point 378 (118/580) ======================= q-point: (-0.39 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 2.930 5.081 -2.790) 6.495 2.687 ( 1.329 -3.555 -0.470) 3.824 3.534 ( -8.454 -7.674 -15.251) 19.052 6.186 ( 4.797 0.868 2.753) 5.598 6.518 ( -8.428 19.817 1.218) 21.569 10.638 ( 0.135 -0.795 7.059) 7.105 10.931 ( -1.898 8.354 1.794) 8.753 11.560 ( -4.307 1.053 -2.591) 5.136 12.921 ( -13.883 -18.508 -5.897) 23.876 15.174 ( 13.167 5.344 0.202) 14.212 18.661 ( 5.639 2.633 3.226) 7.010 19.881 ( -2.631 -3.702 -3.833) 5.943 ======================= Grid point 379 (119/580) ======================= q-point: (-0.33 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 8.867 7.549 -2.522) 11.915 2.672 ( 1.084 -3.288 -1.216) 3.670 3.241 ( -9.972 -6.647 -21.820) 24.894 6.169 ( -13.357 5.271 3.027) 14.675 6.709 ( 11.689 13.953 3.866) 18.608 10.623 ( -4.277 -2.998 9.054) 10.453 11.003 ( -0.892 8.504 4.360) 9.598 11.462 ( -6.095 0.128 -5.466) 8.188 12.265 ( -29.323 -24.261 -7.554) 38.800 15.531 ( 18.057 6.071 0.891) 19.071 18.840 ( 8.461 4.265 9.570) 13.467 19.789 ( -1.361 -2.945 -10.523) 11.012 ======================= Grid point 380 (120/580) ======================= q-point: (-0.28 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 11.813 7.948 -2.888) 14.528 2.644 ( -0.218 -3.478 -2.019) 4.028 2.911 ( -12.625 -6.019 -20.855) 25.111 5.892 ( -23.910 3.992 3.616) 24.509 7.174 ( 23.814 12.295 3.273) 26.999 10.354 ( -26.852 -13.739 8.974) 31.469 11.077 ( -3.633 6.992 8.295) 11.441 11.313 ( -4.485 -4.445 -9.957) 11.790 11.600 ( -16.555 -10.564 -5.418) 20.372 15.869 ( 14.622 3.390 0.171) 15.011 19.089 ( 9.120 4.818 17.036) 19.916 19.713 ( 1.300 -1.751 -18.420) 18.549 ======================= Grid point 381 (121/580) ======================= q-point: (-0.22 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 11.580 6.944 -6.619) 15.037 2.503 ( -12.222 -8.264 -9.500) 17.548 2.618 ( -6.646 -1.520 -4.626) 8.239 5.474 ( -27.859 1.043 4.007) 28.165 7.762 ( 28.449 11.166 0.597) 30.568 9.440 ( -52.615 -25.826 5.284) 58.849 11.014 ( -6.828 -0.967 3.345) 7.664 11.295 ( 4.194 2.436 -3.412) 5.930 11.424 ( -2.925 1.731 -0.827) 3.498 16.103 ( 9.940 1.177 -0.673) 10.032 19.306 ( 2.550 1.829 19.128) 19.384 19.726 ( 9.789 2.080 -21.087) 23.342 ======================= Grid point 382 (122/580) ======================= q-point: (-0.17 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -14.149 -4.278 -21.023) 25.700 2.323 ( 4.901 1.441 12.084) 13.120 2.472 ( -9.168 -2.334 -1.588) 9.593 5.002 ( -26.946 -1.203 3.597) 27.212 8.053 ( -44.261 -16.808 -10.782) 48.558 8.495 ( 11.807 -1.140 13.038) 17.626 10.891 ( -6.783 -0.492 -0.644) 6.832 11.398 ( 4.178 3.305 -0.004) 5.327 11.444 ( 1.511 2.342 2.528) 3.762 16.241 ( 6.009 0.102 -2.408) 6.474 19.323 ( -3.008 -1.186 3.245) 4.581 19.962 ( 15.765 5.124 -4.972) 17.306 ======================= Grid point 383 (123/580) ======================= q-point: (-0.11 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -19.923 -5.126 0.324) 20.574 2.213 ( -17.569 -3.297 -0.134) 17.876 2.455 ( 2.751 0.768 6.724) 7.306 4.570 ( -21.175 -2.136 1.948) 21.371 6.755 ( -64.708 -21.369 -3.293) 68.224 9.008 ( 27.289 4.623 2.994) 27.839 10.772 ( -6.334 0.715 -2.573) 6.873 11.494 ( 3.557 1.874 1.473) 4.282 11.516 ( 2.819 1.586 3.746) 4.949 16.299 ( 2.638 -0.270 -8.797) 9.188 19.257 ( -2.680 -0.876 -1.615) 3.250 20.284 ( 15.008 4.428 4.230) 16.209 ======================= Grid point 384 (124/580) ======================= q-point: (-0.06 0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -19.930 -2.558 24.168) 31.430 1.793 ( -26.937 -3.368 1.961) 27.218 2.424 ( -9.980 -2.543 8.311) 13.234 4.252 ( -13.117 -2.121 -0.869) 13.316 5.479 ( -58.966 -12.013 -3.438) 60.276 9.483 ( 22.781 1.583 0.326) 22.838 10.672 ( -5.063 1.143 -3.678) 6.361 11.569 ( 2.971 0.309 2.962) 4.206 11.584 ( 2.464 0.375 3.121) 3.994 16.240 ( -3.270 -0.840 -30.679) 30.864 19.243 ( 1.289 0.771 10.477) 10.584 20.582 ( 12.421 2.558 9.464) 15.824 ======================= Grid point 388 (125/580) ======================= q-point: ( 0.17 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 29.761 8.773) 31.027 1.733 ( -0.000 13.050 34.094) 36.506 2.640 ( -0.000 17.347 49.406) 52.363 4.054 ( 0.000 8.963 -7.232) 11.517 4.662 ( 0.000 47.650 -9.901) 48.668 9.740 ( -0.000 -16.290 -5.211) 17.103 10.494 ( 0.000 2.404 -8.479) 8.814 11.694 ( -0.000 -0.681 6.283) 6.320 11.702 ( -0.000 -2.540 7.325) 7.752 14.834 ( 0.000 52.855 -88.987) 103.501 19.798 ( -0.000 -32.537 21.986) 39.269 21.072 ( -0.000 -14.056 29.724) 32.879 ======================= Grid point 389 (126/580) ======================= q-point: ( 0.22 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 10.848 22.962 9.562) 27.136 1.976 ( 4.432 6.125 27.491) 28.511 2.935 ( 1.524 6.379 47.419) 47.870 4.158 ( 2.652 14.543 -8.639) 17.122 5.365 ( 21.223 58.012 -7.028) 62.171 9.429 ( -11.780 -18.920 -6.834) 23.312 10.539 ( 4.182 3.533 -8.724) 10.300 11.667 ( -3.035 -1.837 6.237) 7.176 11.699 ( -1.150 -1.699 7.924) 8.185 15.154 ( 12.740 33.245 -66.523) 75.451 19.503 ( -6.429 -22.379 9.970) 25.329 20.987 ( -4.107 -13.901 27.183) 30.806 ======================= Grid point 390 (127/580) ======================= q-point: ( 0.28 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 3.393 -1.690 14.257) 14.753 2.324 ( 10.051 13.766 9.591) 19.558 3.160 ( 1.900 2.644 50.891) 50.995 4.412 ( 8.353 23.613 -9.244) 26.698 6.425 ( 35.287 55.179 -6.006) 65.772 8.953 ( -16.791 -20.000 -7.283) 27.110 10.628 ( 4.039 5.073 -8.735) 10.879 11.609 ( -3.892 -1.266 5.608) 6.943 11.679 ( -2.135 -1.790 8.372) 8.823 15.446 ( 12.375 17.531 -46.476) 51.191 19.221 ( -6.572 -13.904 -1.392) 15.441 20.839 ( -6.525 -13.803 25.246) 29.503 ======================= Grid point 391 (128/580) ======================= q-point: ( 0.33 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -0.972 -6.479 3.646) 7.498 2.574 ( 5.132 4.702 7.803) 10.456 3.405 ( 4.244 1.577 52.269) 52.465 4.851 ( 12.534 31.904 -7.916) 35.180 7.520 ( 33.428 33.683 -14.432) 49.601 8.491 ( -10.673 -6.280 0.169) 12.385 10.718 ( 3.077 5.943 -8.376) 10.722 11.548 ( -4.083 -0.316 5.334) 6.725 11.651 ( -2.164 -1.297 8.341) 8.714 15.623 ( 8.761 6.773 -31.763) 33.638 18.987 ( -5.564 -8.544 -9.224) 13.749 20.658 ( -7.587 -13.283 23.052) 27.666 ======================= Grid point 392 (129/580) ======================= q-point: ( 0.39 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -5.357 -7.723 -1.159) 9.470 2.670 ( 1.986 -1.065 5.625) 6.060 3.661 ( 5.281 -0.973 47.264) 47.568 5.390 ( 12.056 35.213 -6.014) 37.702 7.559 ( -13.987 -16.858 -21.883) 30.963 9.039 ( 35.801 37.944 6.374) 52.555 10.800 ( 2.658 6.152 -7.701) 10.208 11.504 ( -2.763 0.522 5.857) 6.497 11.641 ( -1.149 0.349 7.450) 7.546 15.676 ( 4.014 -1.100 -21.683) 22.079 18.793 ( -4.536 -5.330 -12.763) 14.557 20.469 ( -7.418 -12.093 19.870) 24.415 ======================= Grid point 393 (130/580) ======================= q-point: ( 0.44 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -8.211 -6.438 -2.930) 10.837 2.680 ( 0.995 -4.256 3.771) 5.773 3.852 ( 3.593 -5.173 37.413) 37.939 5.886 ( 7.284 30.674 -4.891) 31.904 7.059 ( -17.054 -8.699 -18.116) 26.358 9.992 ( 28.631 26.846 3.694) 39.422 10.900 ( 3.710 8.969 -7.523) 12.280 11.532 ( 3.864 0.768 7.873) 8.803 11.680 ( 2.475 3.092 5.127) 6.479 15.597 ( -1.606 -6.859 -15.000) 16.572 18.641 ( -3.109 -3.265 -12.433) 13.226 20.293 ( -6.456 -10.403 15.507) 19.758 ======================= Grid point 394 (131/580) ======================= q-point: ( 0.50 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -8.889 -3.292 -3.604) 10.141 2.656 ( 1.201 -5.986 2.338) 6.538 3.904 ( -0.621 -9.893 22.703) 24.772 6.129 ( -1.286 7.510 -6.619) 10.093 6.810 ( -10.866 21.398 -9.784) 25.917 10.475 ( 7.578 8.129 3.849) 11.760 11.032 ( -1.383 13.653 -5.597) 14.821 11.641 ( 1.237 2.326 5.798) 6.369 11.983 ( 27.753 5.483 3.587) 28.516 15.392 ( -6.966 -9.875 -10.386) 15.934 18.545 ( -0.849 -1.587 -9.375) 9.547 20.139 ( -5.270 -8.598 10.316) 14.427 ======================= Grid point 395 (132/580) ======================= q-point: ( 0.56 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -6.728 1.162 -3.863) 7.845 2.624 ( 1.936 -6.737 1.224) 7.116 3.782 ( -5.238 -12.266 4.891) 14.206 6.075 ( -0.968 -2.196 -3.808) 4.501 6.931 ( -11.266 36.303 -3.093) 38.136 10.594 ( 1.946 1.080 4.538) 5.054 11.082 ( -5.756 13.049 -2.117) 14.418 11.675 ( -1.926 3.388 2.804) 4.801 12.559 ( 29.445 -2.289 0.102) 29.534 15.133 ( -7.433 -7.671 -6.342) 12.422 18.524 ( 2.130 0.076 -4.910) 5.353 20.003 ( -4.251 -7.009 4.858) 9.529 ======================= Grid point 396 (133/580) ======================= q-point: (-0.39 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -1.727 5.621 -3.862) 7.035 2.599 ( 2.719 -6.697 0.342) 7.236 3.542 ( -7.492 -10.620 -9.505) 16.102 6.096 ( 5.266 -0.002 1.307) 5.425 7.039 ( -17.399 34.752 -0.459) 38.867 10.637 ( 1.335 -0.796 5.627) 5.837 11.106 ( -5.368 12.427 -0.381) 13.542 11.661 ( -4.530 3.740 0.901) 5.944 12.784 ( 6.328 -18.627 -4.147) 20.105 15.041 ( 4.815 0.542 -2.260) 5.347 18.592 ( 5.485 1.814 0.052) 5.777 19.880 ( -3.509 -5.780 -0.494) 6.780 ======================= Grid point 397 (134/580) ======================= q-point: (-0.33 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 4.276 8.280 -3.780) 10.056 2.586 ( 3.067 -6.065 -0.317) 6.804 3.269 ( -8.393 -7.360 -16.240) 19.707 6.244 ( 8.265 2.204 3.302) 9.169 7.027 ( -19.915 29.327 1.013) 35.465 10.662 ( 0.070 -1.416 6.981) 7.124 11.148 ( -3.368 11.264 0.228) 11.759 11.597 ( -7.571 3.852 -0.017) 8.494 12.402 ( -17.944 -27.802 -6.423) 33.708 15.270 ( 16.753 3.763 -0.791) 17.189 18.752 ( 8.920 3.512 5.162) 10.888 19.761 ( -2.953 -4.889 -5.697) 8.067 ======================= Grid point 398 (135/580) ======================= q-point: (-0.28 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 8.805 8.585 -4.223) 13.002 2.577 ( 2.360 -5.253 -0.702) 5.801 2.997 ( -10.105 -4.733 -15.044) 18.731 6.330 ( -9.636 7.158 3.146) 12.409 7.055 ( -0.414 18.637 1.316) 18.688 10.609 ( -9.576 -3.935 8.495) 13.392 11.212 ( -0.685 8.227 -1.167) 8.338 11.433 ( -15.947 -3.266 0.601) 16.289 11.751 ( -18.357 -17.598 -6.312) 26.202 15.606 ( 17.816 1.793 -1.485) 17.967 19.001 ( 11.785 4.798 10.646) 16.590 19.642 ( -2.262 -4.211 -11.221) 12.197 ======================= Grid point 399 (136/580) ======================= q-point: (-0.22 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 10.553 7.385 -6.724) 14.530 2.539 ( -1.750 -5.233 -0.221) 5.522 2.736 ( -10.714 -2.300 -6.541) 12.762 6.056 ( -29.480 8.592 2.715) 30.826 7.408 ( 21.655 9.867 -0.192) 23.798 10.080 ( -43.085 -17.177 5.204) 46.674 11.080 ( -4.805 -8.433 -4.262) 10.601 11.306 ( -0.574 7.843 3.521) 8.616 11.516 ( -6.153 1.842 -1.346) 6.562 15.890 ( 14.388 0.002 -2.706) 14.640 19.308 ( 10.643 4.913 19.673) 22.901 19.534 ( 1.456 -3.226 -20.272) 20.579 ======================= Grid point 400 (137/580) ======================= q-point: (-0.17 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 4.520 5.344 -16.596) 18.012 2.391 ( -7.962 -4.538 14.814) 17.420 2.580 ( -5.930 -0.656 0.003) 5.966 5.568 ( -33.918 4.581 1.803) 34.274 7.924 ( 27.005 6.400 -4.241) 28.075 9.007 ( -56.441 -18.971 4.583) 59.720 10.972 ( -3.294 -1.849 -2.498) 4.529 11.390 ( 1.582 4.568 2.504) 5.444 11.472 ( -1.761 2.260 1.621) 3.291 16.087 ( 10.046 -0.423 -4.746) 11.118 19.373 ( -3.847 -1.561 -3.522) 5.444 19.710 ( 17.297 3.556 3.618) 18.026 ======================= Grid point 401 (138/580) ======================= q-point: (-0.11 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -14.787 1.932 -1.401) 14.979 2.411 ( 1.869 -1.240 10.566) 10.801 2.452 ( -7.969 0.068 6.271) 10.140 5.023 ( -30.985 0.455 -0.136) 30.989 7.712 ( -61.824 -7.755 -6.082) 62.604 8.547 ( 27.050 -1.140 3.877) 27.350 10.879 ( -5.663 0.524 -3.475) 6.665 11.465 ( 2.451 1.742 2.865) 4.153 11.497 ( 1.692 0.413 3.023) 3.489 16.197 ( 5.399 -0.009 -9.974) 11.341 19.281 ( -2.446 -0.842 -7.747) 8.167 20.066 ( 16.541 2.654 11.397) 20.262 ======================= Grid point 402 (139/580) ======================= q-point: (-0.06 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -17.872 3.626 21.880) 28.483 2.198 ( -18.965 0.653 3.121) 19.231 2.511 ( 0.726 -1.289 13.143) 13.226 4.537 ( -22.820 -1.709 -3.270) 23.117 6.521 ( -66.459 1.237 -2.901) 66.534 9.034 ( 27.900 -1.800 -1.707) 28.010 10.767 ( -6.140 0.527 -4.415) 7.581 11.527 ( 2.737 -0.498 2.816) 3.958 11.545 ( 2.869 -1.112 3.738) 4.841 16.191 ( -1.074 0.673 -23.443) 23.477 19.245 ( 1.048 0.422 -0.916) 1.455 20.399 ( 14.696 0.639 15.086) 21.071 ======================= Grid point 407 (140/580) ======================= q-point: ( 0.22 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -0.000 0.459 22.247) 22.252 2.068 ( 0.000 21.461 9.246) 23.368 3.130 ( -0.000 3.138 49.171) 49.271 4.255 ( 0.000 16.549 -8.103) 18.426 5.800 ( 0.000 66.549 -6.599) 66.876 9.316 ( -0.000 -21.121 -7.308) 22.349 10.501 ( 0.000 4.104 -9.017) 9.907 11.684 ( -0.000 -4.055 7.544) 8.565 11.720 ( -0.000 -1.675 8.268) 8.436 15.177 ( 0.000 31.339 -58.321) 66.208 19.358 ( -0.000 -20.489 3.861) 20.849 20.960 ( -0.000 -15.580 26.084) 30.383 ======================= Grid point 408 (141/580) ======================= q-point: ( 0.28 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 1.234 -5.384 13.769) 14.836 2.348 ( 6.240 13.888 8.974) 17.673 3.322 ( 0.961 1.132 50.861) 50.882 4.479 ( 7.071 22.854 -8.041) 25.238 6.572 ( 14.491 62.574 -7.103) 64.622 8.979 ( -10.879 -19.391 -6.671) 23.214 10.564 ( 4.721 4.771 -8.980) 11.211 11.652 ( -1.506 -3.793 7.012) 8.114 11.716 ( -1.214 -2.266 8.586) 8.963 15.334 ( 5.674 21.410 -45.383) 50.500 19.150 ( -3.015 -14.788 -3.449) 15.482 20.854 ( -3.158 -16.109 24.509) 29.499 ======================= Grid point 409 (142/580) ======================= q-point: ( 0.33 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.503 -9.448 6.082) 11.247 2.568 ( 4.258 5.489 7.392) 10.144 3.520 ( 2.470 -0.810 50.682) 50.749 4.913 ( 14.288 30.618 -6.876) 34.480 7.376 ( 17.873 35.695 -15.017) 42.651 8.633 ( -9.243 0.432 0.591) 9.272 10.674 ( 4.962 5.080 -8.317) 10.937 11.612 ( -1.987 -2.214 5.874) 6.584 11.695 ( -1.653 -2.197 8.385) 8.824 15.473 ( 5.977 10.745 -32.970) 35.188 18.947 ( -3.827 -9.378 -9.501) 13.888 20.697 ( -5.133 -15.840 22.518) 28.006 ======================= Grid point 410 (143/580) ======================= q-point: ( 0.39 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -1.456 -10.514 0.982) 10.660 2.655 ( 0.865 -0.401 5.459) 5.542 3.712 ( 3.623 -4.154 46.568) 46.893 5.498 ( 15.594 35.254 -5.269) 38.907 7.488 ( -4.983 -13.593 -23.219) 27.362 8.993 ( 18.720 42.901 7.930) 47.474 10.772 ( 3.640 4.227 -6.781) 8.780 11.581 ( -2.356 0.335 4.381) 4.985 11.680 ( -0.868 -1.105 7.839) 7.964 15.530 ( 3.936 1.660 -23.026) 23.419 18.769 ( -3.827 -5.557 -12.840) 14.505 20.515 ( -5.888 -14.755 19.756) 25.351 ======================= Grid point 411 (144/580) ======================= q-point: ( 0.44 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -3.652 -8.781 -1.923) 9.703 2.645 ( -0.688 -4.160 3.988) 5.803 3.848 ( 2.994 -8.910 38.121) 39.262 6.045 ( 8.436 29.227 -4.996) 30.827 7.149 ( -7.736 -5.732 -19.292) 21.561 9.847 ( 25.101 37.574 5.627) 45.536 10.851 ( 4.745 2.760 -5.240) 7.589 11.569 ( -2.008 2.795 3.862) 5.173 11.700 ( 0.622 0.994 6.255) 6.364 15.489 ( 0.628 -5.237 -15.723) 16.584 18.621 ( -3.178 -3.180 -13.109) 13.858 20.333 ( -5.668 -12.971 16.009) 21.369 ======================= Grid point 412 (145/580) ======================= q-point: ( 0.50 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -5.297 -4.754 -3.497) 7.930 2.589 ( -0.437 -6.828 2.936) 7.445 3.868 ( 0.134 -13.823 25.155) 28.703 6.201 ( -4.386 1.740 -8.583) 9.794 7.167 ( -0.686 31.761 -9.511) 33.162 10.471 ( 8.378 17.177 4.904) 19.730 11.040 ( 13.803 9.159 -5.734) 17.530 11.619 ( 3.622 3.515 5.783) 7.676 11.765 ( 3.825 2.316 3.385) 5.608 15.348 ( -3.290 -9.133 -10.559) 14.344 18.515 ( -1.503 -1.614 -10.804) 11.027 20.166 ( -4.976 -10.834 11.467) 16.541 ======================= Grid point 413 (146/580) ======================= q-point: ( 0.56 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -5.604 0.669 -4.293) 7.091 2.522 ( 0.978 -8.626 2.113) 8.935 3.741 ( -3.580 -15.929 9.409) 18.843 6.072 ( -3.422 -3.151 -5.438) 7.156 7.502 ( -6.501 45.066 -3.996) 45.708 10.609 ( -0.428 3.062 3.969) 5.031 11.282 ( -0.297 13.444 -4.103) 14.060 11.746 ( 0.596 4.419 5.640) 7.190 12.014 ( 25.466 -4.587 0.436) 25.880 15.145 ( -5.622 -8.514 -6.725) 12.219 18.473 ( 1.253 -0.309 -6.950) 7.069 20.018 ( -4.296 -8.747 6.650) 11.798 ======================= Grid point 414 (147/580) ======================= q-point: ( 0.61 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -3.897 5.838 -4.572) 8.377 2.470 ( 2.849 -9.286 1.407) 9.815 3.515 ( -5.723 -13.390 -3.821) 15.055 6.028 ( 2.030 -1.047 -0.519) 2.342 7.751 ( -16.876 45.374 -1.280) 48.428 10.627 ( 0.317 -0.478 3.755) 3.798 11.335 ( -5.921 12.613 -2.175) 14.103 11.784 ( -3.068 5.369 3.841) 7.279 12.335 ( 20.625 -19.037 -2.392) 28.170 14.994 ( -1.303 -2.910 -3.597) 4.807 18.511 ( 4.694 0.993 -2.637) 5.475 19.883 ( -3.881 -6.954 2.111) 8.238 ======================= Grid point 415 (148/580) ======================= q-point: (-0.33 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -0.240 8.837 -4.558) 9.946 2.447 ( 4.391 -8.588 0.860) 9.684 3.274 ( -6.274 -8.410 -10.515) 14.854 6.113 ( 7.708 0.344 1.834) 7.931 7.801 ( -26.471 39.836 0.348) 47.830 10.649 ( 1.673 -0.914 3.838) 4.286 11.339 ( -5.921 10.449 -1.550) 12.109 11.776 ( -5.910 6.304 3.220) 9.221 12.257 ( -0.083 -29.467 -4.456) 29.802 15.056 ( 9.816 1.655 -1.894) 10.133 18.639 ( 8.409 2.248 1.264) 8.796 19.756 ( -3.772 -5.480 -1.704) 6.867 ======================= Grid point 416 (149/580) ======================= q-point: (-0.28 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 4.165 8.956 -4.716) 10.945 2.454 ( 4.813 -6.810 0.725) 8.371 3.063 ( -7.157 -3.941 -9.872) 12.814 6.298 ( 11.128 1.252 1.883) 11.356 7.646 ( -30.743 29.830 0.714) 42.842 10.685 ( 0.430 0.470 4.612) 4.655 11.322 ( -5.587 5.065 -2.744) 8.025 11.699 ( -14.109 -2.340 5.270) 15.242 11.808 ( -10.878 -18.498 -6.055) 22.297 15.307 ( 16.672 1.144 -2.040) 16.835 18.854 ( 12.089 3.042 3.835) 13.042 19.631 ( -3.925 -4.134 -4.139) 7.045 ======================= Grid point 417 (150/580) ======================= q-point: (-0.22 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 7.625 7.140 -5.809) 11.952 2.474 ( 3.425 -4.650 1.653) 6.007 2.878 ( -8.970 -0.982 -2.912) 9.482 6.454 ( -1.207 3.294 1.150) 3.691 7.428 ( -15.994 16.202 -0.596) 22.774 10.586 ( -22.892 -3.043 5.871) 23.828 11.043 ( -9.451 -15.295 -7.476) 19.472 11.427 ( -4.409 2.026 3.639) 6.065 11.669 ( -7.914 4.348 0.035) 9.030 15.603 ( 16.977 -0.044 -2.991) 17.238 19.133 ( 15.285 2.388 1.816) 15.577 19.515 ( -4.199 -2.178 -1.967) 5.123 ======================= Grid point 418 (151/580) ======================= q-point: (-0.17 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 8.442 5.068 -8.842) 13.234 2.477 ( -0.704 -2.748 6.737) 7.309 2.720 ( -9.414 0.714 6.748) 11.605 6.201 ( -30.050 3.449 0.202) 30.248 7.550 ( 17.036 4.678 -3.223) 17.958 9.813 ( -50.317 -9.375 1.690) 51.211 10.947 ( 2.134 -2.122 -2.610) 3.984 11.428 ( -0.523 1.905 3.604) 4.110 11.574 ( -6.623 2.257 0.517) 7.016 15.861 ( 13.868 0.113 -4.656) 14.629 19.324 ( 5.070 -3.359 -21.815) 22.647 19.541 ( 8.102 4.027 22.303) 24.068 ======================= Grid point 419 (152/580) ======================= q-point: (-0.11 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 2.577 4.822 -10.923) 12.215 2.450 ( -3.462 -1.804 19.351) 19.741 2.615 ( -7.751 1.110 11.728) 14.102 5.611 ( -36.111 -1.305 -1.757) 36.178 7.968 ( 26.437 1.590 -7.566) 27.544 8.806 ( -57.829 -2.369 3.352) 57.974 10.940 ( -1.978 0.596 -3.359) 3.943 11.457 ( 1.358 -0.491 4.604) 4.825 11.502 ( -2.534 -0.617 1.119) 2.838 16.047 ( 9.075 1.028 -8.373) 12.390 19.254 ( -0.003 -1.868 -17.409) 17.509 19.864 ( 14.636 2.319 20.275) 25.113 ======================= Grid point 420 (153/580) ======================= q-point: (-0.06 0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -8.354 6.465 4.746) 11.581 2.442 ( -5.557 0.155 7.814) 9.590 2.552 ( -4.363 -0.909 25.844) 26.225 4.978 ( -31.530 -3.160 -4.603) 32.021 7.723 ( -63.194 12.509 -5.268) 64.635 8.493 ( 28.469 -5.043 -1.145) 28.935 10.859 ( -5.775 0.036 -5.123) 7.720 11.479 ( 1.914 -3.228 1.581) 4.073 11.500 ( 1.994 -0.983 5.751) 6.166 16.127 ( 2.661 1.924 -16.598) 16.920 19.203 ( 1.570 -0.490 -11.735) 11.850 20.200 ( 14.752 -0.163 20.679) 25.402 ======================= Grid point 426 (154/580) ======================= q-point: ( 0.28 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -0.000 -9.858 10.632) 14.499 2.450 ( -0.000 11.110 8.117) 13.759 3.482 ( -0.000 -0.795 50.618) 50.624 4.614 ( 0.000 23.920 -7.411) 25.042 7.040 ( 0.000 55.405 -10.230) 56.342 8.889 ( -0.000 -11.829 -4.186) 12.548 10.540 ( 0.000 5.608 -9.056) 10.652 11.641 ( -0.000 -5.105 7.503) 9.075 11.727 ( -0.000 -3.198 8.578) 9.155 15.356 ( 0.000 18.546 -39.063) 43.242 19.021 ( 0.000 -11.964 -7.196) 13.961 20.791 ( -0.000 -17.252 23.286) 28.980 ======================= Grid point 427 (155/580) ======================= q-point: ( 0.33 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.499 -12.940 6.490) 14.485 2.589 ( 2.370 5.583 6.792) 9.106 3.632 ( 0.959 -3.666 49.008) 49.154 4.945 ( 11.471 27.419 -6.292) 30.381 7.443 ( 2.994 18.906 -18.996) 26.968 8.849 ( -3.633 20.808 3.831) 21.467 10.612 ( 4.415 5.780 -8.625) 11.282 11.612 ( -0.071 -4.628 6.990) 8.383 11.714 ( -0.633 -3.448 8.040) 8.771 15.415 ( 1.915 11.449 -30.619) 32.745 18.875 ( -1.810 -7.792 -10.920) 13.537 20.668 ( -2.466 -17.364 21.601) 27.824 ======================= Grid point 428 (156/580) ======================= q-point: ( 0.39 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.712 -13.974 2.753) 14.260 2.665 ( 0.326 0.674 5.042) 5.097 3.755 ( 1.817 -7.883 44.803) 45.527 5.501 ( 19.619 30.613 -4.552) 36.644 7.346 ( -4.015 -14.388 -23.156) 27.556 9.273 ( 6.167 49.010 7.306) 49.934 10.723 ( 4.356 4.881 -6.949) 9.544 11.600 ( 0.567 -2.516 5.176) 5.783 11.698 ( -0.305 -2.517 7.353) 7.777 15.435 ( 1.475 3.428 -22.415) 22.723 18.734 ( -2.837 -4.241 -13.243) 14.192 20.507 ( -3.946 -16.489 19.243) 25.647 ======================= Grid point 429 (157/580) ======================= q-point: ( 0.44 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.653 -12.525 -0.177) 12.543 2.650 ( -2.212 -2.686 3.641) 5.037 3.819 ( 1.854 -13.109 37.229) 39.513 6.113 ( 14.337 25.784 -3.895) 29.758 7.070 ( 0.668 -8.372 -20.435) 22.094 9.953 ( 12.728 45.325 5.942) 47.452 10.798 ( 2.008 2.239 -4.007) 5.010 11.617 ( 0.814 1.149 2.023) 2.465 11.710 ( 0.975 -0.688 6.857) 6.960 15.385 ( 0.054 -3.546 -15.478) 15.879 18.606 ( -3.203 -1.968 -13.467) 13.982 20.334 ( -4.429 -14.716 16.018) 22.198 ======================= Grid point 430 (158/580) ======================= q-point: ( 0.50 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.357 -8.403 -2.333) 8.728 2.569 ( -3.375 -5.363 2.850) 6.948 3.789 ( 0.374 -17.754 25.869) 31.378 6.258 ( -5.278 -1.592 -8.954) 10.515 7.318 ( 17.134 30.048 -9.736) 35.934 10.587 ( 8.926 31.897 5.694) 33.608 10.834 ( 6.892 -1.789 -2.706) 7.617 11.661 ( 0.409 4.676 0.220) 4.699 11.761 ( 1.927 1.131 5.439) 5.881 15.269 ( -1.733 -7.935 -10.083) 12.947 18.500 ( -2.503 -0.708 -11.598) 11.886 20.169 ( -4.247 -12.337 12.020) 17.740 ======================= Grid point 431 (159/580) ======================= q-point: ( 0.56 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -0.236 -2.071 -3.835) 4.365 2.456 ( -2.676 -7.940 2.515) 8.748 3.650 ( -1.949 -18.964 12.436) 22.761 6.092 ( -4.966 -3.715 -6.226) 8.787 7.934 ( 9.842 44.325 -4.913) 45.670 10.717 ( -5.742 4.809 3.284) 8.178 11.183 ( 19.563 6.395 -1.094) 20.610 11.728 ( 2.280 4.212 -0.295) 4.799 11.822 ( 1.411 1.859 4.364) 4.949 15.114 ( -3.126 -8.170 -6.157) 10.697 18.437 ( -0.410 0.054 -8.254) 8.265 20.020 ( -3.887 -9.779 7.712) 13.046 ======================= Grid point 432 (160/580) ======================= q-point: ( 0.61 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -1.164 4.787 -4.723) 6.825 2.346 ( -0.037 -10.159 2.385) 10.435 3.446 ( -3.504 -15.402 1.010) 15.828 6.001 ( -0.854 -1.572 -1.898) 2.609 8.444 ( -5.502 49.695 -2.108) 50.043 10.662 ( -3.838 0.375 2.477) 4.583 11.462 ( 7.280 3.277 -2.119) 8.260 11.804 ( 10.781 -13.203 -1.978) 17.160 11.885 ( 0.196 5.568 5.054) 7.522 14.982 ( -2.303 -4.241 -3.495) 5.959 18.440 ( 2.852 0.686 -4.439) 5.321 19.887 ( -3.696 -7.376 3.738) 9.058 ======================= Grid point 433 (161/580) ======================= q-point: (-0.33 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -1.816 9.289 -4.960) 10.686 2.279 ( 3.789 -10.688 2.198) 11.550 3.248 ( -3.850 -9.142 -5.221) 11.210 6.015 ( 3.827 -0.463 0.487) 3.886 8.681 ( -23.214 46.369 0.044) 51.855 10.629 ( 0.039 -0.813 1.491) 1.699 11.522 ( -3.423 5.627 -1.634) 6.786 11.800 ( 11.970 -26.353 -3.406) 29.144 11.940 ( -2.020 3.570 4.547) 6.124 14.952 ( 2.830 0.034 -2.036) 3.486 18.523 ( 6.653 1.245 -1.261) 6.885 19.767 ( -3.770 -5.217 0.747) 6.480 ======================= Grid point 434 (162/580) ======================= q-point: (-0.28 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.584 9.190 -4.694) 10.336 2.282 ( 6.603 -8.222 1.931) 10.721 3.101 ( -4.130 -3.176 -5.226) 7.379 6.125 ( 8.851 -0.072 0.777) 8.885 8.556 ( -36.111 31.997 0.568) 48.251 10.666 ( 3.203 1.632 1.138) 3.771 11.465 ( -6.479 -0.977 -1.427) 6.705 11.645 ( 0.627 -22.355 -1.946) 22.449 11.923 ( -5.855 4.849 2.647) 8.049 15.070 ( 10.530 1.001 -1.720) 10.716 18.683 ( 10.320 1.329 0.030) 10.405 19.658 ( -3.961 -3.097 -0.351) 5.040 ======================= Grid point 435 (163/580) ======================= q-point: (-0.22 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 2.897 5.808 -4.577) 7.942 2.346 ( 6.743 -4.074 2.078) 8.148 3.001 ( -5.497 0.927 0.536) 5.601 6.316 ( 12.352 -0.055 -0.361) 12.358 8.118 ( -38.807 13.771 -0.510) 41.181 10.766 ( 3.361 5.034 1.551) 6.249 11.140 ( -19.601 -15.324 -3.221) 25.088 11.510 ( -3.572 -0.546 2.537) 4.415 11.849 ( -7.624 2.600 0.418) 8.066 15.306 ( 15.740 0.549 -2.208) 15.903 18.893 ( 12.917 0.073 -2.920) 13.244 19.574 ( -3.569 -0.439 2.740) 4.521 ======================= Grid point 436 (164/580) ======================= q-point: (-0.17 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 6.564 2.219 -5.218) 8.674 2.435 ( 4.707 -0.547 3.373) 5.816 2.925 ( -7.769 3.104 10.378) 13.331 6.475 ( 1.947 -0.878 -1.852) 2.827 7.597 ( -22.538 -0.182 -2.607) 22.689 10.532 ( -37.035 -4.025 -1.485) 37.282 10.881 ( 3.349 4.537 0.432) 5.656 11.469 ( -2.178 -0.664 3.772) 4.406 11.718 ( -8.167 -0.525 -0.522) 8.201 15.588 ( 16.286 0.950 -3.455) 16.675 19.073 ( 11.060 -2.868 -13.715) 17.851 19.578 ( 0.737 2.996 13.953) 14.290 ======================= Grid point 437 (165/580) ======================= q-point: (-0.11 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 8.327 0.067 -6.413) 10.510 2.512 ( 1.509 1.659 6.246) 6.636 2.860 ( -9.765 3.772 21.934) 24.304 6.170 ( -30.212 -5.492 -2.919) 30.846 7.526 ( 16.876 -4.294 -5.780) 18.348 9.785 ( -49.227 6.195 -0.861) 49.623 10.960 ( -0.003 4.472 -1.423) 4.693 11.437 ( -0.307 -4.105 4.015) 5.750 11.576 ( -6.200 -1.550 1.051) 6.477 15.846 ( 13.056 1.814 -6.156) 14.549 19.118 ( 5.170 -3.265 -20.235) 21.139 19.759 ( 8.627 3.045 21.905) 23.739 ======================= Grid point 438 (166/580) ======================= q-point: (-0.06 0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 7.041 -0.300 -6.450) 9.553 2.555 ( -2.046 2.685 8.263) 8.926 2.809 ( -10.524 3.411 34.498) 36.229 5.501 ( -34.720 -6.234 -4.829) 35.604 7.875 ( 28.260 -5.358 -9.556) 30.309 8.965 ( -57.097 15.716 0.767) 59.225 10.936 ( -4.821 0.988 -5.421) 7.322 11.412 ( 1.807 -4.749 3.469) 6.153 11.504 ( -1.755 -1.229 5.263) 5.683 16.018 ( 7.296 2.267 -11.506) 13.811 19.098 ( 3.580 -1.884 -18.027) 18.475 20.037 ( 12.062 0.317 23.133) 26.091 ======================= Grid point 445 (167/580) ======================= q-point: ( 0.33 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -0.000 -15.773 5.390) 16.669 2.640 ( -0.000 3.896 5.879) 7.053 3.728 ( -0.000 -7.477 46.829) 47.422 5.082 ( 0.000 26.083 -5.882) 26.738 7.421 ( 0.000 -6.917 -22.443) 23.485 9.229 ( 0.000 45.285 6.529) 45.753 10.605 ( 0.000 6.613 -8.688) 10.918 11.583 ( -0.000 -5.443 7.421) 9.203 11.705 ( -0.000 -4.089 7.458) 8.505 15.411 ( 0.000 8.072 -25.824) 27.056 18.788 ( 0.000 -4.796 -12.603) 13.484 20.580 ( -0.000 -17.830 20.259) 26.988 ======================= Grid point 446 (168/580) ======================= q-point: ( 0.39 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 1.001 -17.084 3.560) 17.480 2.687 ( 0.057 1.099 4.567) 4.698 3.779 ( 0.344 -12.466 42.512) 44.304 5.455 ( 14.699 26.051 -4.581) 30.260 7.176 ( -3.404 -18.368 -22.624) 29.340 9.762 ( 0.488 53.369 6.299) 53.742 10.683 ( 3.885 6.800 -7.605) 10.917 11.563 ( 1.158 -4.688 6.638) 8.209 11.691 ( 0.216 -3.200 6.641) 7.374 15.389 ( -0.249 2.440 -20.087) 20.236 18.698 ( -1.582 -1.909 -13.640) 13.863 20.450 ( -1.868 -17.221 18.307) 25.204 ======================= Grid point 447 (169/580) ======================= q-point: ( 0.44 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 2.595 -16.263 1.521) 16.539 2.681 ( -2.135 -1.327 3.226) 4.090 3.763 ( 0.523 -17.875 35.229) 39.508 6.037 ( 21.111 23.910 -2.678) 32.009 6.873 ( -0.180 -14.269 -20.633) 25.088 10.302 ( 2.404 43.140 3.808) 43.375 10.808 ( 2.468 10.405 -3.439) 11.233 11.581 ( 3.120 -2.197 3.628) 5.265 11.700 ( 1.133 -1.249 6.077) 6.306 15.314 ( -1.240 -3.359 -14.403) 14.841 18.605 ( -2.845 0.004 -13.383) 13.682 20.298 ( -2.902 -15.566 15.551) 22.193 ======================= Grid point 448 (170/580) ======================= q-point: ( 0.50 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 4.459 -12.780 -0.397) 13.541 2.608 ( -4.620 -3.187 2.289) 6.062 3.669 ( 0.242 -21.628 25.130) 33.156 6.291 ( -3.976 -2.347 -8.003) 9.240 7.108 ( 30.803 20.358 -9.710) 38.178 10.660 ( 6.086 9.787 -1.451) 11.616 10.979 ( -4.752 28.589 4.723) 29.363 11.650 ( 4.406 1.647 -0.835) 4.777 11.746 ( 2.333 0.325 5.596) 6.071 15.191 ( -1.878 -7.428 -9.334) 12.076 18.514 ( -3.313 0.912 -11.597) 12.095 20.145 ( -3.192 -13.076 12.002) 18.034 ======================= Grid point 449 (171/580) ======================= q-point: ( 0.56 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 5.963 -6.809 -1.970) 9.263 2.479 ( -6.168 -4.959 1.895) 8.139 3.512 ( -0.516 -21.189 13.902) 25.347 6.126 ( -5.546 -3.783 -6.244) 9.169 7.936 ( 32.630 32.379 -5.129) 46.254 10.747 ( 4.159 -5.227 -0.668) 6.713 11.181 ( -6.294 23.197 5.201) 24.592 11.744 ( 2.706 4.206 -3.373) 6.033 11.815 ( 3.133 0.948 4.781) 5.794 15.056 ( -1.663 -7.872 -5.311) 9.640 18.440 ( -2.409 1.182 -8.560) 8.971 20.007 ( -3.116 -10.164 8.051) 13.335 ======================= Grid point 450 (172/580) ======================= q-point: ( 0.61 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 6.280 0.419 -3.135) 7.031 2.316 ( -5.977 -7.066 2.002) 9.469 3.336 ( -1.162 -16.156 4.445) 16.796 6.011 ( -2.884 -1.595 -2.629) 4.216 8.782 ( 22.166 41.318 -3.028) 46.986 10.735 ( -0.088 -3.829 0.995) 3.957 11.223 ( -1.537 -3.361 1.928) 4.169 11.768 ( -2.073 2.283 -2.656) 4.070 11.917 ( 3.568 3.719 3.464) 6.210 14.956 ( -0.837 -4.596 -2.685) 5.388 18.407 ( 0.049 1.183 -5.050) 5.187 19.886 ( -3.061 -7.247 4.364) 8.996 ======================= Grid point 451 (173/580) ======================= q-point: ( 0.67 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 4.179 7.529 -4.111) 9.542 2.158 ( -2.684 -9.853 2.615) 10.541 3.193 ( -1.343 -8.783 -1.054) 8.947 5.974 ( 0.390 -0.564 -0.422) 0.806 9.431 ( -2.599 48.934 -0.574) 49.006 10.668 ( -5.267 -0.500 0.478) 5.312 11.128 ( 13.753 -31.588 -1.106) 34.470 11.727 ( -4.841 3.148 -0.375) 5.787 12.007 ( 1.116 3.464 2.080) 4.192 14.920 ( 0.541 -0.843 -1.374) 1.701 18.438 ( 3.582 1.095 -2.142) 4.315 19.783 ( -3.177 -4.541 1.658) 5.785 ======================= Grid point 452 (174/580) ======================= q-point: (-0.28 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -2.363 10.406 -4.586) 11.614 2.083 ( 6.008 -10.124 3.166) 12.191 3.111 ( -1.396 -1.853 -1.683) 2.866 6.009 ( 4.322 -0.329 0.122) 4.337 9.499 ( -36.084 28.895 0.611) 46.231 10.633 ( 2.347 1.823 -0.703) 3.054 11.138 ( 20.265 -24.991 -1.831) 32.227 11.663 ( -6.027 2.485 2.044) 6.833 12.028 ( -2.077 1.426 0.163) 2.524 14.952 ( 4.020 0.680 -0.869) 4.169 18.537 ( 7.190 0.714 -0.996) 7.294 19.697 ( -3.295 -1.994 0.704) 3.915 ======================= Grid point 453 (175/580) ======================= q-point: (-0.22 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -2.684 2.580 -3.015) 4.790 2.182 ( 9.344 -1.437 1.891) 9.641 3.090 ( -2.090 2.961 2.481) 4.392 6.119 ( 8.875 -0.517 -0.774) 8.924 8.911 ( -42.915 -0.675 -0.905) 42.930 10.708 ( 4.061 -1.076 -0.947) 4.307 11.239 ( 1.952 2.633 -0.471) 3.311 11.588 ( -5.020 0.271 4.059) 6.462 11.963 ( -4.937 -1.660 -1.765) 5.500 15.078 ( 10.185 0.699 -0.992) 10.257 18.683 ( 9.716 -0.461 -2.853) 10.137 19.640 ( -2.803 0.593 2.625) 3.886 ======================= Grid point 454 (176/580) ======================= q-point: (-0.17 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 2.400 -2.093 -2.714) 4.184 2.346 ( 7.354 2.939 1.960) 8.158 3.104 ( -3.882 5.407 10.498) 12.431 6.292 ( 11.936 -1.221 -2.723) 12.303 8.099 ( -38.896 -14.418 -2.299) 41.546 10.702 ( -0.606 -7.180 -3.704) 8.102 11.221 ( -16.372 20.314 3.388) 26.309 11.520 ( -4.089 -2.134 3.764) 5.953 11.826 ( -6.547 -3.398 -1.649) 7.558 15.308 ( 15.428 0.896 -2.016) 15.585 18.825 ( 9.863 -2.363 -8.515) 13.243 19.644 ( -0.442 2.952 8.468) 8.979 ======================= Grid point 455 (177/580) ======================= q-point: (-0.11 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 6.952 -4.082 -3.307) 8.714 2.497 ( 4.721 4.136 2.921) 6.923 3.125 ( -6.375 6.161 20.894) 22.697 6.398 ( -1.420 -4.536 -4.450) 6.511 7.389 ( -16.736 -16.330 -4.490) 23.810 10.470 ( -20.786 0.372 -4.724) 21.319 11.157 ( -14.513 18.318 1.508) 23.419 11.416 ( -2.584 -7.555 3.904) 8.888 11.684 ( -7.192 -0.377 1.724) 7.405 15.590 ( 16.087 1.293 -4.264) 16.693 18.909 ( 7.494 -3.345 -14.921) 17.029 19.748 ( 4.121 3.421 15.649) 16.540 ======================= Grid point 456 (178/580) ======================= q-point: (-0.06 0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 9.541 -4.699 -3.972) 11.353 2.605 ( 1.752 3.763 3.869) 5.674 3.143 ( -8.565 6.110 32.253) 33.926 5.982 ( -29.986 -9.187 -4.606) 31.698 7.325 ( 20.816 -10.211 -8.815) 24.805 9.989 ( -39.881 13.438 -3.073) 42.196 11.044 ( -9.340 2.082 -6.419) 11.523 11.368 ( 0.178 -1.305 7.899) 8.008 11.579 ( -6.191 0.445 4.689) 7.779 15.835 ( 12.310 1.149 -8.134) 14.799 18.933 ( 5.480 -2.789 -17.266) 18.328 19.942 ( 8.141 1.302 19.878) 21.519 ======================= Grid point 464 (179/580) ======================= q-point: ( 0.39 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -0.000 -19.137 3.526) 19.459 2.710 ( -0.000 0.480 3.828) 3.858 3.760 ( -0.000 -17.988 38.737) 42.710 5.546 ( 0.000 22.891 -4.541) 23.337 6.942 ( 0.000 -19.438 -21.087) 28.679 10.320 ( 0.000 52.149 5.187) 52.406 10.687 ( 0.000 6.910 -7.824) 10.438 11.524 ( -0.000 -5.166 7.143) 8.815 11.686 ( -0.000 -0.876 6.175) 6.237 15.342 ( 0.000 -0.991 -16.634) 16.663 18.660 ( 0.000 0.400 -13.615) 13.621 20.351 ( -0.000 -16.882 16.793) 23.812 ======================= Grid point 465 (180/580) ======================= q-point: ( 0.44 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 2.298 -19.305 2.853) 19.650 2.712 ( -1.223 -0.691 2.833) 3.163 3.667 ( -0.208 -23.040 32.036) 39.462 5.902 ( 16.762 20.561 -3.091) 26.707 6.676 ( -1.666 -15.500 -18.334) 24.066 10.652 ( -4.509 17.029 -3.022) 17.873 10.918 ( 7.336 31.062 0.058) 31.917 11.515 ( 2.161 -4.085 5.935) 7.522 11.723 ( -0.721 5.541 6.008) 8.205 15.252 ( -1.227 -5.246 -12.587) 13.692 18.614 ( -1.772 1.950 -12.771) 13.040 20.227 ( -1.326 -15.431 14.496) 21.213 ======================= Grid point 466 (181/580) ======================= q-point: ( 0.50 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 5.788 -16.544 1.744) 17.614 2.665 ( -3.696 -1.740 1.848) 4.484 3.512 ( 0.092 -25.012 23.103) 34.049 6.291 ( 0.538 0.340 -5.457) 5.494 6.686 ( 28.330 9.649 -10.077) 31.579 10.686 ( -1.748 4.413 -2.943) 5.585 11.327 ( 4.876 25.659 1.859) 26.184 11.563 ( 4.846 -1.327 2.595) 5.655 11.798 ( -4.001 12.672 5.453) 14.364 15.119 ( -1.937 -8.365 -8.369) 11.990 18.554 ( -3.247 2.602 -10.830) 11.602 20.097 ( -1.981 -12.983 11.352) 17.360 ======================= Grid point 467 (182/580) ======================= q-point: ( 0.56 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 9.316 -10.692 0.570) 14.193 2.560 ( -6.405 -2.537 1.146) 6.983 3.338 ( 0.660 -22.114 13.870) 26.112 6.164 ( -5.149 -3.291 -5.620) 8.302 7.488 ( 43.295 18.661 -4.157) 47.328 10.671 ( -0.654 -1.566 -0.998) 1.969 11.594 ( -2.022 18.151 6.472) 19.376 11.668 ( 7.543 1.550 -3.836) 8.603 11.835 ( -7.166 9.628 3.163) 12.411 14.983 ( -1.096 -8.228 -4.510) 9.447 18.487 ( -3.742 2.578 -7.859) 9.078 19.977 ( -2.151 -9.892 7.651) 12.689 ======================= Grid point 468 (183/580) ======================= q-point: ( 0.61 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 11.465 -3.816 -0.221) 12.085 2.404 ( -8.508 -3.171 0.768) 9.112 3.197 ( 1.010 -15.136 6.184) 16.382 6.049 ( -3.994 -1.116 -2.651) 4.921 8.462 ( 46.139 21.072 -2.603) 50.790 10.634 ( 0.669 -5.263 0.374) 5.318 11.569 ( -22.847 12.001 4.051) 26.123 11.776 ( 2.562 1.518 -4.076) 5.048 11.859 ( 6.425 0.950 2.579) 6.988 14.903 ( 0.643 -4.649 -1.782) 5.020 18.432 ( -2.723 2.195 -4.420) 5.637 19.876 ( -2.182 -6.633 4.041) 8.068 ======================= Grid point 469 (184/580) ======================= q-point: ( 0.67 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 12.010 1.589 -0.440) 12.123 2.214 ( -9.482 -3.622 0.501) 10.163 3.117 ( 1.041 -6.736 1.352) 6.948 5.985 ( -2.134 -0.054 -0.705) 2.248 9.463 ( 43.054 24.071 -1.459) 49.348 10.592 ( 2.130 -9.075 1.171) 9.394 11.129 ( -30.896 -4.127 0.067) 31.171 11.805 ( -0.740 1.798 -0.064) 1.945 11.980 ( 4.709 0.940 0.414) 4.820 14.892 ( 1.356 -0.937 -0.489) 1.719 18.415 ( -0.180 1.711 -1.460) 2.257 19.795 ( -2.289 -3.581 1.273) 4.437 ======================= Grid point 470 (185/580) ======================= q-point: (-0.28 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 11.724 4.069 0.082) 12.410 2.015 ( -9.190 -3.333 -0.104) 9.777 3.105 ( 0.882 0.558 0.021) 1.044 5.969 ( 0.382 0.189 0.019) 0.426 10.327 ( -31.697 -2.981 1.182) 31.859 10.404 ( 41.274 3.719 -0.695) 41.447 10.657 ( -6.945 -0.135 -1.158) 7.042 11.780 ( -4.099 0.738 2.759) 4.996 12.029 ( 1.324 -1.548 -2.125) 2.944 14.915 ( 1.451 0.616 0.021) 1.576 18.453 ( 3.103 1.133 -0.001) 3.304 19.734 ( -2.382 -0.876 0.000) 2.538 ======================= Grid point 471 (186/580) ======================= q-point: (-0.22 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -5.336 -6.890 0.632) 8.738 2.039 ( 9.008 8.425 -0.558) 12.347 3.153 ( 0.477 5.369 2.286) 5.855 6.004 ( 3.750 -0.043 -0.437) 3.775 9.484 ( -36.372 -29.184 -0.858) 46.640 10.625 ( 1.727 -2.716 -1.035) 3.381 11.167 ( 21.036 27.908 0.867) 34.959 11.699 ( -6.055 -1.601 5.321) 8.218 11.979 ( -2.066 -4.667 -4.662) 6.913 14.963 ( 3.867 0.565 0.128) 3.910 18.539 ( 5.809 0.184 -0.824) 5.871 19.698 ( -2.035 1.471 0.809) 2.639 ======================= Grid point 472 (187/580) ======================= q-point: (-0.17 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -1.766 -6.733 -0.400) 6.972 2.268 ( 7.844 7.687 0.569) 10.997 3.236 ( -0.484 7.536 7.811) 10.864 6.097 ( 7.772 -0.683 -2.064) 8.070 8.533 ( -36.602 -31.706 -1.714) 48.455 10.624 ( 1.637 -3.025 -2.218) 4.092 11.563 ( -5.860 -2.551 7.911) 10.170 11.656 ( -1.884 24.190 -2.211) 24.364 11.863 ( -2.156 -2.623 -2.320) 4.112 15.081 ( 9.942 -0.016 -0.660) 9.964 18.639 ( 6.903 -1.160 -4.107) 8.116 19.705 ( -0.627 3.218 4.052) 5.212 ======================= Grid point 473 (188/580) ======================= q-point: (-0.11 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 3.187 -7.003 -1.334) 7.809 2.463 ( 5.891 6.600 1.460) 8.967 3.330 ( -2.151 7.737 15.861) 17.778 6.234 ( 9.908 -2.010 -4.542) 11.083 7.611 ( -31.623 -29.431 -2.800) 43.290 10.590 ( -2.097 -1.795 -3.553) 4.500 11.400 ( -5.711 -11.446 1.912) 12.934 11.607 ( -11.040 5.500 -1.545) 12.431 11.926 ( -11.195 22.262 5.309) 25.478 15.300 ( 15.617 -0.609 -2.759) 15.870 18.718 ( 6.359 -2.204 -8.680) 10.984 19.772 ( 2.038 3.594 8.930) 9.839 ======================= Grid point 474 (189/580) ======================= q-point: (-0.06 0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 7.712 -6.934 -2.239) 10.610 2.609 ( 3.561 4.812 2.223) 6.386 3.416 ( -4.168 6.912 25.240) 26.499 6.248 ( -8.775 -6.722 -5.232) 12.229 6.976 ( -3.684 -19.259 -6.564) 20.678 10.475 ( -10.768 2.648 -3.978) 11.781 11.154 ( -7.792 -11.024 -5.913) 14.738 11.510 ( -6.527 4.216 6.754) 10.295 11.882 ( -19.674 20.178 6.385) 28.896 15.560 ( 16.197 -1.415 -5.975) 17.322 18.760 ( 5.322 -2.397 -12.257) 13.576 19.901 ( 5.047 2.032 13.461) 14.519 ======================= Grid point 483 (190/580) ======================= q-point: ( 0.44 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -0.000 -20.957 3.813) 21.301 2.725 ( -0.000 -0.724 2.278) 2.390 3.514 ( -0.000 -26.908 26.791) 37.971 5.919 ( 0.000 16.644 -3.299) 16.968 6.499 ( 0.000 -11.961 -14.397) 18.717 10.775 ( 0.000 6.353 -6.325) 8.965 11.127 ( 0.000 19.671 0.737) 19.685 11.470 ( -0.000 -4.561 6.284) 7.765 11.909 ( 0.000 24.380 6.883) 25.333 15.160 ( 0.000 -8.122 -10.051) 12.923 18.617 ( 0.000 3.271 -11.498) 11.955 20.134 ( -0.000 -14.218 12.657) 19.035 ======================= Grid point 484 (191/580) ======================= q-point: ( 0.50 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 4.605 -19.389 4.213) 20.369 2.707 ( -1.933 -1.049 1.522) 2.674 3.319 ( 0.251 -26.440 19.665) 32.952 6.217 ( 13.797 10.971 -1.307) 17.675 6.367 ( 4.682 -4.554 -11.027) 12.817 10.775 ( -3.943 4.595 -3.947) 7.228 11.317 ( 7.960 5.508 -1.901) 9.865 11.481 ( 3.835 -3.148 5.483) 7.395 12.175 ( -6.133 31.091 6.063) 32.265 15.029 ( -1.063 -9.913 -6.858) 12.101 18.600 ( -2.044 3.804 -9.364) 10.312 20.031 ( -0.841 -11.943 9.905) 15.539 ======================= Grid point 485 (192/580) ======================= q-point: ( 0.56 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 10.209 -12.843 3.782) 16.836 2.642 ( -4.611 -1.258 0.711) 4.832 3.146 ( 1.466 -20.671 12.334) 24.116 6.200 ( -3.912 -2.119 -4.439) 6.284 6.890 ( 38.215 10.085 -2.694) 39.615 10.717 ( -4.684 1.186 -1.287) 5.000 11.500 ( 10.173 1.452 -5.048) 11.449 11.579 ( 7.404 -0.745 5.699) 9.373 12.295 ( -14.664 23.301 3.986) 27.818 14.901 ( -0.589 -8.196 -3.350) 8.874 18.562 ( -3.691 3.667 -6.320) 8.186 19.935 ( -1.194 -8.858 6.409) 10.999 ======================= Grid point 486 (193/580) ======================= q-point: ( 0.61 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 13.523 -4.598 2.984) 14.591 2.526 ( -7.428 -1.171 0.033) 7.519 3.048 ( 2.592 -11.732 6.036) 13.446 6.107 ( -4.223 0.017 -1.955) 4.654 7.742 ( 49.029 7.693 -1.158) 49.642 10.640 ( -3.919 -0.855 0.259) 4.020 11.658 ( 8.729 0.572 -5.634) 10.405 11.739 ( 8.493 0.097 4.589) 9.654 12.134 ( -24.029 9.551 1.978) 25.933 14.840 ( 1.068 -3.186 -0.533) 3.402 18.510 ( -4.254 3.116 -2.766) 5.954 19.856 ( -1.291 -5.446 2.759) 6.240 ======================= Grid point 487 (194/580) ======================= q-point: (-0.33 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 14.089 0.561 2.654) 14.347 2.367 ( -9.642 -0.504 -0.649) 9.677 3.037 ( 2.938 -2.773 1.526) 4.318 6.040 ( -3.788 1.185 -0.226) 3.976 8.689 ( 53.229 1.403 -0.050) 53.247 10.576 ( -2.672 -0.220 0.872) 2.819 11.672 ( -27.298 -2.683 -2.252) 27.522 11.780 ( 2.607 1.215 -1.938) 3.468 11.890 ( 5.257 0.102 3.182) 6.145 14.860 ( 1.830 0.946 0.756) 2.194 18.467 ( -3.294 2.474 0.459) 4.145 19.799 ( -1.381 -2.224 -0.248) 2.630 ======================= Grid point 488 (195/580) ======================= q-point: (-0.28 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 12.845 0.851 3.260) 13.280 2.191 ( -10.303 1.981 -1.822) 10.649 3.096 ( 2.682 4.071 -0.706) 4.926 5.999 ( -2.667 1.580 0.654) 3.168 9.490 ( 42.920 -21.615 1.207) 48.071 10.584 ( 1.415 7.871 0.321) 8.003 11.114 ( -29.599 3.194 -1.052) 29.790 11.823 ( 0.569 -0.210 0.404) 0.729 11.955 ( 2.949 -3.172 -1.017) 4.449 14.908 ( 1.046 2.444 1.083) 2.870 18.455 ( -1.024 1.915 2.416) 3.249 19.762 ( -1.483 0.475 -1.973) 2.514 ======================= Grid point 489 (196/580) ======================= q-point: (-0.22 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 4.774 -6.793 4.334) 9.365 2.100 ( -3.226 10.230 -3.219) 11.199 3.199 ( 2.239 8.095 -0.473) 8.412 5.986 ( -0.773 1.466 0.712) 1.804 9.451 ( -4.835 -47.791 1.291) 48.053 10.636 ( -4.528 -0.221 -2.016) 4.962 11.155 ( 15.463 32.225 1.394) 35.770 11.790 ( -4.321 -2.109 5.185) 7.071 11.920 ( 0.177 -6.087 -6.159) 8.661 14.946 ( 0.175 2.396 1.185) 2.679 18.485 ( 1.530 1.291 2.456) 3.168 19.745 ( -1.331 2.526 -2.039) 3.508 ======================= Grid point 490 (197/580) ======================= q-point: (-0.17 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -3.217 -8.471 1.855) 9.250 2.246 ( 5.264 11.084 -1.001) 12.311 3.326 ( 1.752 9.467 2.244) 9.885 6.008 ( 1.967 0.934 -0.166) 2.184 8.682 ( -24.742 -45.181 0.067) 51.512 10.587 ( -0.388 -0.467 -1.736) 1.839 11.620 ( -4.340 -8.011 7.200) 11.612 11.808 ( 1.447 4.970 -7.227) 8.890 11.858 ( 11.272 19.787 1.198) 22.804 14.982 ( 1.917 1.351 0.813) 2.482 18.541 ( 3.183 0.428 0.512) 3.252 19.756 ( -0.536 3.782 -0.311) 3.833 ======================= Grid point 491 (198/580) ======================= q-point: (-0.11 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -1.374 -7.670 0.199) 7.795 2.442 ( 5.534 8.554 0.305) 10.192 3.459 ( 1.107 8.782 7.328) 11.491 6.072 ( 5.273 -0.062 -2.131) 5.687 7.788 ( -27.835 -38.830 -0.981) 47.786 10.579 ( 0.227 -0.366 -1.996) 2.042 11.394 ( -7.531 -13.833 1.865) 15.860 11.711 ( -3.984 -2.864 -1.814) 5.231 12.333 ( 2.478 29.520 2.730) 29.749 15.066 ( 7.969 -0.804 -0.844) 8.054 18.598 ( 3.579 -0.451 -2.755) 4.539 19.803 ( 1.054 3.890 2.882) 4.955 ======================= Grid point 492 (199/580) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 3.158 -7.139 -1.026) 7.874 2.600 ( 4.059 5.813 1.060) 7.168 3.585 ( 0.188 6.822 14.337) 15.878 6.163 ( 6.371 -1.607 -4.718) 8.089 6.990 ( -22.237 -28.767 -2.610) 36.453 10.563 ( -1.641 0.518 -1.998) 2.637 11.131 ( -6.432 -13.215 -2.001) 14.833 11.619 ( -3.965 -1.466 2.337) 4.830 12.514 ( -15.752 27.708 4.362) 32.169 15.237 ( 14.541 -3.379 -3.859) 15.419 18.636 ( 3.307 -0.991 -6.156) 7.058 19.888 ( 3.081 2.535 6.625) 7.734 ======================= Grid point 502 (200/580) ======================= q-point: ( 0.50 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.000 -19.465 7.041) 20.700 2.719 ( -0.000 -0.830 1.105) 1.382 3.118 ( -0.000 -23.442 14.776) 27.710 6.161 ( 0.000 9.015 -1.871) 9.207 6.280 ( 0.000 -3.533 -6.284) 7.209 10.855 ( 0.000 4.879 -3.987) 6.301 11.261 ( 0.000 0.913 -1.709) 1.938 11.422 ( -0.000 -3.783 4.425) 5.822 12.556 ( 0.000 27.429 5.124) 27.903 14.918 ( -0.000 -9.653 -4.404) 10.611 18.633 ( 0.000 4.315 -7.120) 8.325 19.956 ( -0.000 -9.887 7.493) 12.405 ======================= Grid point 503 (201/580) ======================= q-point: ( 0.56 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 8.123 -11.902 8.390) 16.675 2.695 ( -2.261 -0.702 0.458) 2.411 2.970 ( 1.425 -15.454 9.177) 18.030 6.228 ( -2.109 -0.194 -2.769) 3.486 6.422 ( 22.140 5.147 -1.047) 22.755 10.828 ( -5.691 2.534 -1.418) 6.389 11.334 ( 7.699 0.728 -4.470) 8.933 11.453 ( 5.944 -2.755 3.941) 7.646 12.711 ( -8.619 14.166 3.148) 16.878 14.829 ( -0.111 -4.915 -1.033) 5.024 18.638 ( -2.275 4.164 -4.002) 6.207 19.886 ( -0.437 -6.940 4.167) 8.107 ======================= Grid point 504 (202/580) ======================= q-point: (-0.39 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 13.181 -1.188 6.866) 14.909 2.627 ( -4.950 -0.325 -0.301) 4.970 2.925 ( 3.002 -5.573 3.778) 7.372 6.182 ( -3.651 2.002 -0.571) 4.203 7.000 ( 39.548 1.308 0.375) 39.571 10.732 ( -6.230 0.723 0.502) 6.292 11.477 ( 9.494 0.687 -7.052) 11.847 11.586 ( 9.558 -1.583 4.085) 10.514 12.550 ( -17.323 -1.928 1.177) 17.469 14.820 ( 0.312 2.147 1.943) 2.912 18.613 ( -4.068 3.541 -0.286) 5.401 19.832 ( -0.581 -3.525 0.425) 3.598 ======================= Grid point 505 (203/580) ======================= q-point: (-0.33 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 13.730 4.002 5.334) 15.264 2.516 ( -7.578 0.494 -1.014) 7.661 2.978 ( 3.783 2.708 -0.849) 4.729 6.138 ( -4.619 3.387 1.034) 5.821 7.769 ( 48.982 -5.053 1.488) 49.264 10.649 ( -4.360 1.322 1.126) 4.693 11.613 ( 8.301 -1.030 -7.361) 11.142 11.745 ( 8.017 -1.636 2.855) 8.666 12.124 ( -22.169 -11.367 0.816) 24.926 14.879 ( 0.149 6.116 3.198) 6.903 18.572 ( -4.717 2.826 3.259) 6.393 19.798 ( -0.667 -0.262 -2.889) 2.976 ======================= Grid point 506 (204/580) ======================= q-point: (-0.28 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 12.099 4.222 4.839) 13.698 2.377 ( -9.049 2.394 -1.918) 9.554 3.091 ( 3.810 7.908 -4.153) 9.711 6.097 ( -4.906 4.086 2.096) 6.720 8.515 ( 46.061 -18.573 2.535) 49.729 10.638 ( -0.258 5.160 0.714) 5.216 11.496 ( -18.239 -13.059 -2.449) 22.565 11.759 ( 3.075 -0.746 -5.636) 6.463 11.882 ( 2.717 -3.499 4.150) 6.070 14.954 ( -0.576 7.029 3.217) 7.752 18.536 ( -3.946 2.363 5.730) 7.348 19.783 ( -0.803 2.333 -5.064) 5.633 ======================= Grid point 507 (205/580) ======================= q-point: (-0.22 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 7.134 0.014 4.986) 8.704 2.267 ( -6.698 6.758 -2.949) 9.961 3.232 ( 3.570 10.232 -5.856) 12.318 6.065 ( -4.444 4.265 2.670) 6.713 8.846 ( 20.929 -39.829 3.241) 45.110 10.706 ( -2.314 2.604 -1.475) 3.783 11.210 ( 2.344 4.241 0.644) 4.888 11.791 ( 3.145 -2.151 -6.123) 7.212 11.860 ( -2.043 -5.632 3.280) 6.830 15.014 ( -1.894 7.065 2.970) 7.894 18.524 ( -2.225 2.122 6.505) 7.195 19.783 ( -0.834 4.044 -5.786) 7.108 ======================= Grid point 508 (206/580) ======================= q-point: (-0.17 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -1.929 -4.884 3.640) 6.389 2.299 ( 0.872 10.661 -2.262) 10.933 3.377 ( 3.384 10.324 -5.812) 12.321 6.048 ( -3.231 3.995 2.677) 5.793 8.491 ( -7.574 -48.477 2.439) 49.126 10.613 ( -3.764 -1.039 -1.451) 4.166 11.557 ( 11.402 -0.504 6.373) 13.071 11.738 ( 2.223 -4.229 -8.747) 9.967 11.839 ( 6.491 7.724 0.881) 10.127 15.046 ( -3.501 6.820 2.749) 8.144 18.541 ( -0.575 1.805 5.464) 5.783 19.798 ( -0.473 4.811 -5.020) 6.969 ======================= Grid point 509 (207/580) ======================= q-point: (-0.11 -0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -5.020 -5.370 1.561) 7.514 2.447 ( 4.047 9.339 -0.823) 10.211 3.515 ( 3.337 8.727 -3.892) 10.122 6.052 ( -1.286 3.253 1.870) 3.966 7.777 ( -18.749 -44.084 1.227) 47.922 10.573 ( -0.342 -0.281 -0.708) 0.835 11.395 ( -8.037 -14.420 1.831) 16.610 11.712 ( -0.695 -3.787 -1.974) 4.327 12.351 ( 23.197 17.884 -0.938) 29.306 15.052 ( -3.531 5.390 2.039) 6.759 18.569 ( 0.278 1.297 3.036) 3.313 19.832 ( 0.444 4.526 -2.940) 5.415 ======================= Grid point 510 (208/580) ======================= q-point: (-0.06 0.50 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -2.815 -4.876 -0.000) 5.631 2.596 ( 3.724 6.450 -0.000) 7.448 3.641 ( 3.403 5.895 -0.000) 6.807 6.082 ( 1.219 2.111 -0.000) 2.438 7.044 ( -19.387 -33.580 0.000) 38.774 10.573 ( 0.150 0.260 0.000) 0.300 11.116 ( -7.504 -12.997 -0.000) 15.007 11.649 ( -1.773 -3.070 -0.000) 3.545 12.828 ( 9.884 17.119 -0.000) 19.767 15.063 ( 0.978 1.695 -0.000) 1.957 18.591 ( 0.440 0.762 0.000) 0.880 19.885 ( 1.778 3.080 -0.000) 3.556 ======================= Grid point 522 (209/580) ======================= q-point: (-0.44 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -0.000 -3.193 12.372) 12.777 2.709 ( -0.000 -0.499 0.154) 0.522 2.866 ( -0.000 -6.618 4.574) 8.045 6.253 ( 0.000 0.839 -0.370) 0.917 6.256 ( 0.000 2.903 0.201) 2.910 10.914 ( 0.000 2.440 -0.437) 2.479 11.247 ( 0.000 0.150 -3.712) 3.715 11.377 ( -0.000 -2.536 1.193) 2.803 12.856 ( -0.000 -2.709 1.078) 2.916 14.820 ( -0.000 2.980 2.534) 3.911 18.692 ( 0.000 4.011 -0.834) 4.097 19.842 ( -0.000 -4.143 0.898) 4.239 ======================= Grid point 523 (210/580) ======================= q-point: (-0.39 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 8.288 7.142 10.272) 15.007 2.686 ( -2.224 -0.173 -0.423) 2.270 2.870 ( 1.877 2.440 -0.658) 3.148 6.265 ( -1.713 3.746 0.858) 4.208 6.457 ( 21.463 -1.264 2.355) 21.629 10.859 ( -6.688 0.510 1.576) 6.890 11.316 ( 7.337 0.992 -6.545) 9.882 11.423 ( 7.289 -1.945 1.238) 7.645 12.671 ( -8.191 -18.522 -0.690) 20.264 14.897 ( -0.688 9.794 5.569) 11.288 18.711 ( -2.442 3.325 2.998) 5.100 19.812 ( -0.164 -0.780 -2.994) 3.098 ======================= Grid point 524 (211/580) ======================= q-point: (-0.33 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 10.663 10.160 7.385) 16.476 2.625 ( -4.674 0.494 -1.064) 4.819 2.961 ( 3.150 8.388 -5.776) 10.661 6.270 ( -3.965 5.771 2.489) 7.431 6.953 ( 37.439 -6.461 3.391) 38.144 10.753 ( -5.842 0.304 2.115) 6.220 11.433 ( 8.041 -0.527 -8.359) 11.610 11.573 ( 10.381 -1.759 2.028) 10.722 12.241 ( -13.415 -26.344 -1.272) 29.591 15.005 ( -2.118 11.782 6.831) 13.783 18.696 ( -4.290 2.526 6.774) 8.406 19.801 ( -0.269 2.476 -6.632) 7.084 ======================= Grid point 525 (212/580) ======================= q-point: (-0.28 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 10.055 9.316 6.000) 14.964 2.531 ( -6.716 1.843 -1.834) 7.202 3.095 ( 3.884 10.697 -10.084) 15.205 6.259 ( -5.738 7.013 3.792) 9.823 7.574 ( 42.580 -15.367 4.110) 45.455 10.700 ( -1.869 2.418 1.778) 3.536 11.458 ( 0.089 -14.991 -6.402) 16.301 11.707 ( 2.964 -3.575 -0.594) 4.682 11.794 ( -2.482 -14.405 -0.455) 14.624 15.098 ( -3.177 11.442 6.740) 13.654 18.664 ( -4.967 2.129 9.598) 11.015 19.807 ( -0.478 4.934 -9.197) 10.448 ======================= Grid point 526 (213/580) ======================= q-point: (-0.22 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 6.891 6.169 5.564) 10.794 2.433 ( -6.691 4.420 -2.752) 8.478 3.236 ( 4.421 10.529 -13.248) 17.490 6.238 ( -6.716 7.521 4.777) 11.157 8.037 ( 31.632 -29.706 4.691) 43.647 10.757 ( 1.320 5.605 0.479) 5.778 11.113 ( -2.596 -23.691 -1.342) 23.871 11.687 ( 2.818 -1.871 -7.612) 8.329 11.810 ( 3.216 -5.656 2.896) 7.122 15.172 ( -3.711 11.257 6.050) 13.308 18.636 ( -4.484 2.248 10.908) 12.006 19.821 ( -0.704 6.280 -10.391) 12.161 ======================= Grid point 527 (214/580) ======================= q-point: (-0.17 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -0.160 1.514 4.841) 5.075 2.400 ( -2.414 7.924 -3.020) 8.817 3.369 ( 4.914 8.958 -15.115) 18.245 6.211 ( -6.821 7.330 5.414) 11.383 8.031 ( 7.841 -42.318 4.514) 43.274 10.667 ( -5.758 -5.940 -0.693) 8.301 11.228 ( 24.051 -3.268 2.194) 24.371 11.646 ( -0.996 -6.378 -7.611) 9.980 11.795 ( 1.842 -3.676 1.200) 4.284 15.232 ( -4.911 11.741 5.353) 13.807 18.626 ( -3.488 2.529 10.564) 11.409 19.839 ( -0.688 6.521 -10.264) 12.180 ======================= Grid point 528 (215/580) ======================= q-point: (-0.11 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -6.511 -0.837 2.906) 7.179 2.480 ( 2.097 8.607 -1.977) 9.076 3.486 ( 5.377 6.561 -15.541) 17.705 6.185 ( -6.128 6.381 5.510) 10.423 7.579 ( -8.822 -42.890 3.570) 43.933 10.569 ( -0.467 -3.362 0.671) 3.460 11.386 ( -4.833 -13.527 4.271) 14.986 11.625 ( 6.717 -3.907 -4.820) 9.144 11.971 ( 25.564 2.486 -3.901) 25.979 15.262 ( -7.521 11.991 4.754) 14.931 18.631 ( -2.745 2.591 8.806) 9.581 19.861 ( -0.230 5.722 -8.941) 10.618 ======================= Grid point 541 (216/580) ======================= q-point: (-0.39 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -0.000 14.283 9.890) 17.373 2.701 ( 0.000 -0.250 -0.689) 0.733 2.903 ( 0.000 9.203 -6.439) 11.232 6.188 ( -0.000 -7.439 0.818) 7.484 6.404 ( -0.000 10.174 5.824) 11.723 10.942 ( -0.000 -1.072 4.458) 4.585 11.219 ( 0.000 -0.538 -5.879) 5.903 11.341 ( 0.000 -0.131 -3.378) 3.380 12.481 ( -0.000 -30.854 -2.032) 30.921 15.052 ( -0.000 13.774 8.666) 16.274 18.778 ( -0.000 2.520 6.921) 7.366 19.805 ( 0.000 2.589 -7.147) 7.602 ======================= Grid point 542 (217/580) ======================= q-point: (-0.33 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 5.147 15.436 7.747) 18.022 2.680 ( -1.837 -0.053 -1.148) 2.167 2.996 ( 1.505 11.987 -12.323) 17.257 6.236 ( 13.050 -9.659 0.453) 16.242 6.569 ( 4.615 11.647 8.932) 15.386 10.862 ( -6.475 -2.586 4.300) 8.192 11.264 ( 7.239 -3.772 -6.869) 10.669 11.395 ( 7.180 -0.187 -2.847) 7.727 12.086 ( -5.589 -33.949 -2.550) 34.501 15.205 ( -2.147 13.595 10.361) 17.228 18.806 ( -2.451 1.570 10.777) 11.163 19.817 ( -0.144 5.895 -11.123) 12.589 ======================= Grid point 543 (218/580) ======================= q-point: (-0.28 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 6.747 13.732 6.362) 16.570 2.629 ( -3.709 0.718 -1.744) 4.161 3.102 ( 2.808 11.177 -17.394) 20.865 6.360 ( 6.880 -3.511 1.825) 7.937 6.888 ( 20.586 1.484 9.354) 22.661 10.747 ( -3.205 -4.626 2.629) 6.211 11.238 ( 2.176 -21.270 -5.260) 22.019 11.538 ( 10.277 -2.187 -1.099) 10.564 11.695 ( -4.240 -15.673 -4.403) 16.823 15.314 ( -4.031 12.185 10.743) 16.738 18.800 ( -4.145 1.156 13.676) 14.337 19.842 ( -0.494 8.281 -13.998) 16.272 ======================= Grid point 544 (219/580) ======================= q-point: (-0.22 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 5.677 10.901 5.828) 13.602 2.560 ( -4.884 2.301 -2.593) 5.989 3.200 ( 4.286 8.589 -21.289) 23.353 6.411 ( -0.572 1.341 4.156) 4.404 7.293 ( 25.747 -12.047 8.256) 29.601 10.677 ( 6.633 -18.623 -0.240) 19.770 10.918 ( -6.423 -18.943 -0.349) 20.005 11.609 ( 2.007 -1.096 -7.664) 7.998 11.668 ( 7.053 -4.024 0.612) 8.144 15.390 ( -4.564 11.614 10.084) 16.044 18.782 ( -4.795 1.539 15.191) 16.003 19.870 ( -0.996 9.325 -15.511) 18.126 ======================= Grid point 545 (220/580) ======================= q-point: (-0.17 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 1.253 7.203 5.580) 9.197 2.507 ( -3.467 4.729 -3.440) 6.798 3.284 ( 5.804 5.508 -23.957) 25.258 6.402 ( -3.622 1.178 5.572) 6.749 7.495 ( 13.040 -23.250 7.537) 27.702 10.517 ( 9.458 -32.710 -1.025) 34.066 10.876 ( 7.628 3.579 1.282) 8.523 11.589 ( -0.547 -2.963 -7.145) 7.754 11.705 ( 3.178 -5.713 0.385) 6.549 15.462 ( -4.460 12.339 8.803) 15.800 18.768 ( -4.732 2.363 15.326) 16.213 19.891 ( -1.367 9.071 -15.848) 18.311 ======================= Grid point 546 (221/580) ======================= q-point: (-0.11 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -5.646 4.040 4.324) 8.179 2.527 ( 0.449 6.455 -3.200) 7.218 3.355 ( 7.129 2.518 -25.320) 26.425 6.347 ( -3.716 -3.257 6.022) 7.789 7.333 ( -4.721 -24.627 6.811) 25.984 10.437 ( 9.684 -17.735 1.766) 20.284 11.145 ( 19.637 -6.082 3.583) 20.867 11.475 ( -2.879 -4.983 -7.577) 9.515 11.705 ( 4.753 -4.763 -2.548) 7.195 15.532 ( -5.775 13.300 7.377) 16.268 18.764 ( -4.583 3.080 14.263) 15.294 19.901 ( -1.326 7.702 -15.159) 17.056 ======================= Grid point 560 (222/580) ======================= q-point: (-0.33 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 16.943 6.790) 18.252 2.686 ( 0.000 -0.614 -1.496) 1.618 3.055 ( 0.000 11.927 -18.850) 22.306 5.967 ( -0.000 -15.217 1.407) 15.282 6.752 ( -0.000 19.179 10.795) 22.008 10.927 ( -0.000 -4.864 8.855) 10.103 11.042 ( -0.000 -19.608 -7.555) 21.013 11.335 ( 0.000 3.122 -7.349) 7.985 11.801 ( -0.000 -26.622 -3.491) 26.850 15.395 ( -0.000 12.159 12.954) 17.766 18.879 ( -0.000 0.407 14.530) 14.535 19.852 ( 0.000 9.334 -15.397) 18.005 ======================= Grid point 561 (223/580) ======================= q-point: (-0.28 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 3.078 15.614 5.829) 16.948 2.663 ( -1.066 -0.760 -1.912) 2.317 3.102 ( 1.286 9.101 -24.289) 25.969 5.946 ( 15.614 -18.941 1.175) 24.576 6.985 ( -1.541 21.716 12.577) 25.142 10.656 ( -3.599 -33.279 -3.458) 33.651 10.961 ( 4.229 -14.462 5.590) 16.071 11.389 ( 4.959 3.018 -6.945) 9.052 11.604 ( -0.642 -7.027 -5.393) 8.881 15.528 ( -2.558 9.962 14.365) 17.667 18.912 ( -2.144 -0.150 17.136) 17.270 19.899 ( -0.518 11.802 -18.439) 21.899 ======================= Grid point 562 (224/580) ======================= q-point: (-0.22 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 4.051 13.076 5.417) 14.722 2.624 ( -2.054 -0.084 -2.500) 3.236 3.124 ( 2.984 5.276 -28.371) 29.011 6.078 ( 21.078 -22.357 1.201) 30.750 7.210 ( -1.412 19.668 13.255) 23.760 10.217 ( 3.415 -48.041 -4.437) 48.367 10.899 ( -1.041 -5.401 5.738) 7.949 11.497 ( 6.610 0.904 -5.741) 8.801 11.572 ( 1.419 0.030 -5.488) 5.668 15.609 ( -3.877 8.774 14.437) 17.333 18.920 ( -3.467 0.297 18.371) 18.698 19.944 ( -1.426 12.753 -20.073) 23.824 ======================= Grid point 563 (225/580) ======================= q-point: (-0.17 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 2.445 10.136 5.613) 11.842 2.580 ( -2.346 1.409 -3.566) 4.494 3.130 ( 5.183 1.468 -31.109) 31.572 6.178 ( 16.159 -25.337 2.439) 30.150 7.397 ( -2.629 14.254 12.407) 19.080 9.859 ( 14.230 -47.673 -3.407) 49.868 10.878 ( -0.041 0.440 4.026) 4.051 11.554 ( 0.624 0.427 -8.091) 8.126 11.589 ( 3.679 -3.557 -1.061) 5.226 15.678 ( -3.513 9.292 13.138) 16.471 18.923 ( -4.088 1.405 18.572) 19.069 19.970 ( -2.389 12.236 -20.705) 24.168 ======================= Grid point 564 (226/580) ======================= q-point: (-0.11 -0.33 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -2.743 7.333 5.658) 9.659 2.563 ( -0.225 3.116 -4.535) 5.507 3.133 ( 7.502 -1.880 -32.423) 33.333 6.136 ( 9.654 -29.355 3.981) 31.157 7.446 ( -11.181 11.216 10.500) 19.001 9.784 ( 27.982 -39.065 -0.769) 48.059 10.937 ( 4.825 0.657 3.191) 5.822 11.484 ( -4.160 -3.197 -5.081) 7.304 11.596 ( 2.279 -4.090 -3.215) 5.679 15.761 ( -3.202 10.649 10.830) 15.522 18.929 ( -4.499 2.543 18.138) 18.860 19.969 ( -2.997 10.485 -20.650) 23.352 ======================= Grid point 579 (227/580) ======================= q-point: (-0.28 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 14.825 4.880) 15.608 2.648 ( 0.000 -2.271 -2.288) 3.224 3.076 ( 0.000 5.556 -29.562) 30.080 5.607 ( -0.000 -21.328 1.476) 21.379 7.288 ( -0.000 24.966 13.765) 28.509 10.197 ( -0.000 -53.420 -6.851) 53.857 10.869 ( -0.000 -6.964 10.306) 12.438 11.369 ( 0.000 5.314 -8.392) 9.933 11.552 ( 0.000 -0.423 -6.867) 6.880 15.687 ( -0.000 6.993 17.134) 18.506 18.983 ( -0.000 -0.897 19.011) 19.032 19.972 ( 0.000 14.435 -21.388) 25.804 ======================= Grid point 580 (228/580) ======================= q-point: (-0.22 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 2.198 12.299 4.075) 13.142 2.614 ( 0.287 -3.072 -2.663) 4.076 3.021 ( 1.267 1.918 -33.169) 33.249 5.516 ( 14.169 -24.209 1.386) 28.085 7.547 ( -3.680 23.143 14.688) 27.657 9.626 ( 1.328 -55.762 -7.022) 56.218 10.853 ( 1.997 -6.427 9.246) 11.436 11.421 ( 2.799 4.782 -7.571) 9.382 11.546 ( 0.576 2.187 -7.374) 7.713 15.785 ( -2.047 4.907 18.588) 19.334 19.024 ( -1.534 -0.570 19.247) 19.317 20.040 ( -1.274 15.508 -22.735) 27.550 ======================= Grid point 581 (229/580) ======================= q-point: (-0.17 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 3.318 9.206 3.925) 10.544 2.582 ( 0.445 -2.644 -3.346) 4.287 2.946 ( 2.924 -1.335 -35.465) 35.610 5.567 ( 19.651 -28.391 1.862) 34.579 7.728 ( -5.054 19.231 15.215) 25.037 9.126 ( 7.644 -52.414 -7.163) 53.450 10.865 ( 2.082 -3.704 7.123) 8.294 11.493 ( 3.254 2.337 -6.067) 7.270 11.550 ( -0.094 1.372 -6.432) 6.578 15.851 ( -2.333 4.693 18.158) 18.899 19.050 ( -2.378 0.476 18.608) 18.766 20.083 ( -2.991 15.055 -23.138) 27.766 ======================= Grid point 582 (230/580) ======================= q-point: (-0.11 -0.28 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 2.030 6.755 5.102) 8.706 2.555 ( 0.686 -1.386 -5.486) 5.700 2.869 ( 5.260 -4.504 -36.072) 36.731 5.586 ( 16.127 -32.916 3.345) 36.806 7.861 ( -8.558 19.874 14.022) 25.784 8.852 ( 22.961 -47.895 -5.833) 53.433 10.896 ( 2.360 -2.079 5.415) 6.262 11.511 ( -2.897 -0.925 -4.299) 5.266 11.525 ( 1.343 -0.270 -5.345) 5.518 15.928 ( -1.387 6.126 15.587) 16.805 19.075 ( -2.870 1.517 17.987) 18.278 20.083 ( -4.644 13.349 -23.186) 27.154 ======================= Grid point 598 (231/580) ======================= q-point: (-0.22 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.000 8.917 1.725) 9.082 2.550 ( -0.000 -6.233 -2.964) 6.902 2.904 ( 0.000 -0.455 -35.174) 35.177 5.154 ( -0.000 -23.976 1.326) 24.013 7.809 ( -0.000 8.661 16.793) 18.895 9.063 ( -0.000 -45.124 -9.930) 46.203 10.791 ( -0.000 -7.092 9.580) 11.919 11.431 ( 0.000 5.880 -7.516) 9.543 11.544 ( 0.000 3.392 -8.156) 8.833 15.900 ( -0.000 1.669 21.917) 21.980 19.092 ( -0.000 -0.391 17.762) 17.767 20.140 ( 0.000 16.764 -23.332) 28.730 ======================= Grid point 599 (232/580) ======================= q-point: (-0.17 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 2.934 3.903 -1.364) 5.069 2.488 ( 2.575 -8.071 -3.203) 9.058 2.785 ( 0.573 -1.534 -34.645) 34.683 5.024 ( 11.464 -24.939 1.466) 27.487 7.786 ( 5.334 -30.561 15.759) 34.796 8.719 ( -5.584 -7.778 -9.209) 13.284 10.787 ( 3.459 -5.949 8.387) 10.849 11.474 ( 1.010 4.933 -6.562) 8.271 11.552 ( -0.153 3.054 -7.635) 8.225 15.972 ( -0.993 0.245 23.381) 23.404 19.137 ( -0.853 0.497 15.067) 15.099 20.214 ( -2.240 16.500 -22.738) 28.183 ======================= Grid point 600 (233/580) ======================= q-point: (-0.11 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 6.678 -0.979 -4.218) 7.959 2.458 ( 4.213 -7.842 -3.714) 9.646 2.666 ( 0.440 -2.071 -32.080) 32.150 5.009 ( 14.930 -27.633 2.629) 31.518 7.630 ( 23.134 -50.787 10.203) 56.733 8.585 ( -13.937 15.762 -3.741) 21.370 10.828 ( 3.883 -4.570 6.592) 8.911 11.506 ( 0.149 2.483 -4.897) 5.492 11.540 ( -1.668 1.797 -6.021) 6.501 16.039 ( -0.322 1.195 21.685) 21.721 19.173 ( -1.201 1.187 12.630) 12.742 20.238 ( -4.918 15.042 -21.718) 26.872 ======================= Grid point 617 (234/580) ======================= q-point: (-0.17 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 -4.014 -10.154) 10.919 2.337 ( -0.000 -13.547 -3.169) 13.913 2.670 ( 0.000 -0.199 -28.355) 28.355 4.698 ( -0.000 -21.448 1.038) 21.473 7.233 ( -0.000 -63.941 8.690) 64.529 8.891 ( 0.000 22.005 -3.279) 22.248 10.716 ( -0.000 -6.012 7.914) 9.939 11.499 ( 0.000 5.260 -6.085) 8.044 11.562 ( 0.000 3.361 -7.601) 8.311 16.049 ( -0.000 -2.730 27.656) 27.790 19.193 ( -0.000 1.312 9.439) 9.529 20.330 ( 0.000 16.412 -20.686) 26.406 ======================= Grid point 618 (235/580) ======================= q-point: (-0.11 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 5.482 -10.578 -18.038) 21.618 2.227 ( 6.125 -16.302 -3.061) 17.681 2.585 ( -0.620 0.041 -20.578) 20.588 4.573 ( 7.927 -20.201 1.393) 21.745 6.710 ( 14.326 -65.720 5.823) 67.515 9.028 ( -10.504 24.337 -0.872) 26.521 10.726 ( 4.148 -4.969 6.488) 9.164 11.527 ( -0.376 4.031 -4.948) 6.393 11.565 ( -0.752 2.746 -6.150) 6.777 16.111 ( 0.212 -2.998 28.549) 28.707 19.228 ( -0.343 1.838 3.907) 4.331 20.398 ( -3.213 15.139 -18.003) 23.741 ======================= Grid point 636 (236/580) ======================= q-point: (-0.11 -0.11 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.000 -16.290 -24.652) 29.548 1.952 ( -0.000 -23.124 -2.385) 23.247 2.517 ( 0.000 -4.328 -13.527) 14.203 4.337 ( -0.000 -14.614 0.278) 14.617 5.929 ( -0.000 -65.972 5.197) 66.177 9.364 ( 0.000 23.334 -1.367) 23.374 10.656 ( -0.000 -4.347 5.628) 7.111 11.558 ( 0.000 3.932 -4.329) 5.848 11.580 ( 0.000 2.777 -5.494) 6.156 16.168 ( -0.000 -5.018 33.687) 34.058 19.250 ( 0.000 2.479 -5.310) 5.860 20.523 ( 0.000 14.003 -13.744) 19.621 ======================= Grid point 695 (237/580) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -0.000 0.000 19.861) 19.861 0.388 ( -0.000 0.000 19.861) 19.861 1.804 ( -0.000 0.000 91.039) 91.039 3.900 ( 0.000 -0.000 -7.893) 7.893 3.900 ( 0.000 -0.000 -7.893) 7.893 10.485 ( 0.000 -0.000 -7.657) 7.657 10.485 ( 0.000 -0.000 -7.657) 7.657 10.831 ( 0.000 -0.000 -18.769) 18.769 11.721 ( -0.000 0.000 7.022) 7.022 11.721 ( -0.000 0.000 7.022) 7.022 20.916 ( -0.000 0.000 0.568) 0.568 22.249 ( -0.000 0.000 1.239) 1.239 ======================= Grid point 696 (238/580) ======================= q-point: ( 0.17 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 27.255 15.736 12.451) 33.845 1.209 ( 36.082 20.832 14.321) 44.057 2.242 ( 12.870 7.430 81.243) 82.591 3.877 ( 1.575 0.910 -9.941) 10.106 4.075 ( 16.474 9.511 -9.942) 21.465 9.968 ( -12.797 -7.388 -5.404) 15.734 10.481 ( 1.489 0.859 -8.122) 8.302 11.645 ( 0.163 0.094 0.466) 0.503 11.727 ( -1.245 -0.719 7.500) 7.636 13.235 ( 102.545 59.204 -105.641) 158.684 20.590 ( -31.249 -18.042 11.282) 37.806 21.492 ( -30.794 -17.779 43.694) 56.334 ======================= Grid point 697 (239/580) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 26.615 15.366 11.481) 32.807 1.862 ( 16.171 9.336 24.525) 30.825 2.792 ( 10.706 6.181 59.494) 60.765 3.918 ( 5.431 3.135 -11.811) 13.372 4.717 ( 42.868 24.750 -7.591) 50.079 9.616 ( -16.462 -9.504 -9.249) 21.139 10.501 ( 2.598 1.500 -8.519) 9.032 11.621 ( -2.324 -1.342 3.650) 4.531 11.713 ( -2.119 -1.223 7.841) 8.214 14.610 ( 50.431 29.116 -82.833) 101.254 19.898 ( -27.873 -16.093 16.843) 36.326 21.190 ( -12.765 -7.370 31.165) 34.475 ======================= Grid point 698 (240/580) ======================= q-point: ( 0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 19.764 11.411 11.850) 25.715 2.175 ( 5.314 3.068 16.072) 17.203 3.124 ( 4.094 2.364 55.312) 55.514 4.075 ( 12.116 6.995 -12.703) 18.897 5.910 ( 58.535 33.795 -4.703) 67.753 9.140 ( -21.649 -12.499 -10.704) 27.193 10.545 ( 3.637 2.100 -8.866) 9.811 11.569 ( -3.252 -1.877 5.040) 6.285 11.683 ( -2.726 -1.574 8.133) 8.721 15.257 ( 27.640 15.958 -55.363) 63.903 19.419 ( -17.406 -10.049 4.514) 20.599 21.001 ( -12.165 -7.023 26.595) 30.077 ======================= Grid point 699 (241/580) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -3.535 -2.041 4.229) 5.877 2.528 ( 10.144 5.857 10.151) 15.500 3.413 ( 5.278 3.047 56.711) 57.038 4.408 ( 19.786 11.424 -11.000) 25.358 7.261 ( 56.526 32.636 -8.339) 65.802 8.579 ( -21.950 -12.673 -7.840) 26.531 10.608 ( 4.217 2.435 -9.064) 10.289 11.512 ( -2.960 -1.709 6.110) 7.002 11.645 ( -2.793 -1.612 8.326) 8.929 15.592 ( 15.108 8.723 -36.930) 40.843 19.090 ( -11.276 -6.510 -5.494) 14.132 20.799 ( -12.310 -7.107 23.683) 27.622 ======================= Grid point 700 (242/580) ======================= q-point: ( 0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -8.943 -5.163 -0.746) 10.353 2.704 ( 3.404 1.965 6.903) 7.944 3.719 ( 5.204 3.005 51.609) 51.958 4.884 ( 22.995 13.276 -7.694) 27.644 7.710 ( -18.992 -10.965 -24.679) 33.015 8.798 ( 46.258 26.707 6.959) 53.866 10.675 ( 3.909 2.257 -8.732) 9.830 11.495 ( 0.355 0.205 6.941) 6.953 11.613 ( -2.108 -1.217 8.037) 8.397 15.729 ( 5.637 3.254 -25.088) 25.919 18.848 ( -7.511 -4.336 -10.585) 13.684 20.593 ( -11.594 -6.694 20.243) 24.269 ======================= Grid point 701 (243/580) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -11.138 -6.430 -2.489) 13.100 2.760 ( 0.348 0.201 4.138) 4.158 3.962 ( 1.959 1.131 41.700) 41.761 5.381 ( 21.076 12.168 -4.871) 24.819 7.088 ( -24.086 -13.906 -21.320) 35.043 9.847 ( 37.225 21.492 3.622) 43.136 10.727 ( 2.828 1.633 -7.323) 8.018 11.602 ( -0.994 -0.574 6.656) 6.754 11.639 ( 12.247 7.071 6.938) 15.752 15.690 ( -2.936 -1.695 -17.564) 17.888 18.672 ( -4.578 -2.643 -11.206) 12.390 20.399 ( -10.130 -5.849 15.763) 19.629 ======================= Grid point 702 (244/580) ======================= q-point: ( 0.50 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -10.408 -6.009 -3.290) 12.460 2.763 ( -0.750 -0.433 2.188) 2.354 4.053 ( -4.252 -2.455 26.319) 26.773 5.802 ( 15.990 9.232 -2.770) 18.670 6.538 ( -16.814 -9.707 -16.625) 25.560 10.433 ( 13.129 7.580 5.002) 15.964 10.760 ( 1.867 1.078 -4.792) 5.254 11.605 ( -0.425 -0.245 4.058) 4.088 12.162 ( 29.579 17.078 4.409) 34.439 15.486 ( -10.082 -5.821 -12.465) 17.056 18.567 ( -1.615 -0.933 -8.672) 8.871 20.228 ( -8.395 -4.847 10.439) 14.245 ======================= Grid point 703 (245/580) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -6.266 -3.617 -3.823) 8.183 2.747 ( -0.956 -0.552 0.808) 1.368 3.929 ( -10.636 -6.141 5.640) 13.514 6.089 ( 9.119 5.265 -1.059) 10.583 6.243 ( -5.020 -2.899 -7.209) 9.251 10.612 ( 2.895 1.671 7.006) 7.762 10.789 ( 1.770 1.022 -1.774) 2.707 11.599 ( -1.064 -0.614 0.836) 1.486 12.854 ( 25.122 14.504 0.416) 29.012 15.189 ( -10.765 -6.215 -7.783) 14.666 18.544 ( 1.565 0.904 -4.432) 4.786 20.078 ( -6.789 -3.920 4.725) 9.153 ======================= Grid point 704 (246/580) ======================= q-point: (-0.39 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.947 0.547 -4.151) 4.293 2.727 ( -0.828 -0.478 -0.188) 0.975 3.639 ( -12.479 -7.205 -11.932) 18.709 6.210 ( 1.388 0.801 0.451) 1.665 6.247 ( 5.778 3.336 0.661) 6.705 10.671 ( 0.516 0.298 8.554) 8.574 10.836 ( 2.453 1.416 1.194) 3.074 11.554 ( -2.615 -1.510 -2.442) 3.883 13.123 ( -4.402 -2.542 -4.961) 7.103 15.079 ( 5.329 3.077 -2.251) 6.552 18.612 ( 4.900 2.829 0.605) 5.691 19.943 ( -5.477 -3.162 -1.065) 6.414 ======================= Grid point 705 (247/580) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 8.086 4.669 -4.378) 10.313 2.707 ( -0.781 -0.451 -0.883) 1.262 3.306 ( -11.529 -6.657 -20.226) 24.214 6.155 ( -6.377 -3.681 1.779) 7.575 6.493 ( 14.612 8.436 3.231) 17.179 10.695 ( -1.466 -0.846 10.202) 10.341 10.912 ( 3.286 1.897 4.045) 5.546 11.461 ( -4.206 -2.428 -5.622) 7.429 12.666 ( -29.515 -17.040 -7.459) 34.887 15.370 ( 16.849 9.728 -0.479) 19.461 18.776 ( 8.221 4.746 6.212) 11.344 19.816 ( -4.384 -2.531 -6.987) 8.628 ======================= Grid point 706 (248/580) ======================= q-point: (-0.28 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 12.076 6.972 -5.351) 14.936 2.681 ( -1.247 -0.720 -1.299) 1.939 2.974 ( -11.628 -6.713 -19.138) 23.378 5.933 ( -13.277 -7.666 2.845) 15.593 6.929 ( 21.864 12.623 2.411) 25.362 10.605 ( -12.707 -7.337 11.573) 18.688 11.007 ( 3.043 1.757 7.251) 8.057 11.333 ( -4.427 -2.556 -9.077) 10.417 11.890 ( -30.728 -17.741 -7.101) 36.186 15.747 ( 14.916 8.612 -1.721) 17.309 19.028 ( 10.654 6.151 12.849) 17.789 19.695 ( -3.022 -1.745 -13.778) 14.213 ======================= Grid point 707 (249/580) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 12.238 7.065 -9.503) 17.029 2.633 ( -2.787 -1.609 -1.380) 3.502 2.642 ( -12.883 -7.438 -8.435) 17.101 5.574 ( -18.279 -10.553 3.480) 21.392 7.496 ( 26.141 15.092 -0.091) 30.185 9.984 ( -43.562 -25.151 7.506) 50.858 11.048 ( -3.309 -1.910 6.269) 7.342 11.252 ( 1.832 1.058 -8.189) 8.458 11.436 ( -6.842 -3.950 -0.519) 7.918 16.028 ( 10.100 5.831 -3.613) 12.210 19.317 ( 7.246 4.184 21.303) 22.887 19.611 ( 2.926 1.689 -22.387) 22.640 ======================= Grid point 708 (250/580) ======================= q-point: (-0.17 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 1.203 0.695 -21.856) 21.900 2.394 ( -5.867 -3.387 15.874) 17.260 2.530 ( -6.202 -3.581 -0.945) 7.223 5.133 ( -20.184 -11.653 3.380) 23.550 8.063 ( 17.731 10.237 -8.206) 22.057 8.857 ( -47.744 -27.565 10.287) 56.081 10.926 ( -6.252 -3.610 -1.852) 7.453 11.336 ( 5.012 2.894 0.017) 5.788 11.415 ( 1.945 1.123 4.212) 4.774 16.195 ( 5.834 3.368 -6.467) 9.338 19.362 ( -3.610 -2.084 0.197) 4.173 19.814 ( 14.903 8.604 -0.687) 17.222 ======================= Grid point 709 (251/580) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -13.133 -7.582 -1.981) 15.294 2.320 ( -12.238 -7.066 0.307) 14.135 2.463 ( 3.012 1.739 14.203) 14.622 4.692 ( -18.026 -10.407 2.137) 20.923 7.308 ( -58.005 -33.489 -6.234) 67.268 8.847 ( 22.243 12.842 5.409) 26.247 10.779 ( -5.321 -3.072 -4.441) 7.581 11.454 ( 4.511 2.604 2.836) 5.930 11.496 ( 3.078 1.777 5.581) 6.617 16.255 ( 2.040 1.178 -13.531) 13.735 19.271 ( -2.620 -1.513 -5.249) 6.059 20.176 ( 14.416 8.323 9.049) 18.946 ======================= Grid point 714 (252/580) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.000 29.866 12.998) 32.571 1.271 ( 0.000 42.927 14.810) 45.410 2.513 ( -0.000 12.059 82.978) 83.849 3.896 ( 0.000 4.406 -9.532) 10.501 3.992 ( 0.000 16.807 -12.671) 21.049 9.993 ( 0.000 -12.458 -6.771) 14.179 10.433 ( 0.000 0.819 -8.795) 8.833 11.701 ( -0.000 3.195 2.257) 3.912 11.763 ( -0.000 -1.080 7.881) 7.955 12.855 ( 0.000 111.951 -92.924) 145.492 20.615 ( -0.000 -32.805 7.223) 33.591 21.617 ( -0.000 -35.263 37.144) 51.217 ======================= Grid point 715 (253/580) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 17.374 26.543 12.169) 33.977 1.814 ( 11.973 21.004 20.384) 31.624 2.947 ( 5.107 9.811 69.015) 69.896 3.900 ( -0.441 8.132 -11.661) 14.223 4.399 ( 23.473 32.997 -10.009) 41.713 9.718 ( -11.836 -12.657 -9.930) 19.972 10.452 ( 2.819 2.169 -9.022) 9.698 11.691 ( -3.851 1.288 4.645) 6.169 11.758 ( -1.441 -1.415 8.142) 8.388 13.940 ( 39.755 62.257 -85.919) 113.307 20.118 ( -17.317 -32.075 13.162) 38.754 21.373 ( -8.510 -16.150 31.949) 36.797 ======================= Grid point 716 (254/580) ======================= q-point: ( 0.28 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 17.505 19.356 12.592) 28.977 2.164 ( 6.176 5.046 17.996) 19.684 3.278 ( 2.817 3.238 58.315) 58.473 3.998 ( 4.670 13.561 -13.070) 19.405 5.384 ( 44.129 44.997 -4.873) 63.212 9.289 ( -16.767 -15.927 -11.682) 25.908 10.502 ( 2.610 4.238 -9.172) 10.435 11.642 ( -4.247 -0.189 5.670) 7.086 11.739 ( -2.273 -1.502 8.249) 8.687 14.768 ( 30.610 31.586 -63.490) 77.237 19.588 ( -16.139 -20.712 6.816) 27.128 21.182 ( -9.192 -11.870 26.920) 30.824 ======================= Grid point 717 (255/580) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -0.781 -2.888 8.020) 8.560 2.458 ( 10.827 10.052 11.811) 18.914 3.547 ( 3.887 2.157 57.388) 57.560 4.271 ( 11.570 21.494 -12.079) 27.235 6.664 ( 51.107 42.664 -5.594) 66.809 8.761 ( -19.522 -16.790 -10.908) 27.964 10.567 ( 2.509 5.626 -9.114) 11.001 11.581 ( -4.140 -0.942 6.475) 7.743 11.706 ( -2.779 -1.453 8.159) 8.740 15.265 ( 20.307 16.313 -44.070) 51.192 19.187 ( -11.795 -12.872 -2.284) 17.608 20.982 ( -10.177 -11.170 23.678) 28.089 ======================= Grid point 718 (256/580) ======================= q-point: ( 0.39 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -6.413 -6.236 1.639) 9.094 2.679 ( 4.538 2.418 8.335) 9.793 3.826 ( 4.736 1.026 53.917) 54.135 4.729 ( 15.786 26.932 -8.647) 32.392 7.660 ( 13.334 6.437 -24.049) 28.241 8.472 ( 15.555 13.901 6.122) 21.742 10.640 ( 2.310 6.252 -8.742) 10.993 11.532 ( -2.581 -0.861 7.105) 7.608 11.672 ( -2.587 -0.871 7.705) 8.174 15.532 ( 11.563 6.813 -30.212) 33.059 18.894 ( -8.144 -7.992 -8.460) 14.204 20.765 ( -10.392 -10.578 20.422) 25.238 ======================= Grid point 719 (257/580) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -9.786 -7.052 -1.421) 12.146 2.751 ( 1.439 -1.393 5.100) 5.479 4.059 ( 2.945 -1.803 45.822) 45.952 5.255 ( 14.984 27.499 -5.458) 31.788 7.262 ( -20.914 -15.581 -24.555) 35.820 9.426 ( 41.533 30.187 6.025) 51.696 10.712 ( 1.653 6.766 -7.847) 10.493 11.551 ( 3.558 0.318 7.462) 8.274 11.656 ( -1.459 0.882 6.395) 6.618 15.610 ( 3.323 -0.244 -20.913) 21.176 18.685 ( -5.095 -4.755 -10.660) 12.737 20.549 ( -9.723 -9.580 16.467) 21.389 ======================= Grid point 720 (258/580) ======================= q-point: ( 0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -10.899 -6.082 -3.012) 12.839 2.755 ( 0.416 -3.054 2.863) 4.206 4.161 ( -2.135 -6.405 32.329) 33.026 5.729 ( 10.757 23.685 -3.381) 26.232 6.700 ( -18.763 -8.730 -20.233) 28.942 10.257 ( 22.004 15.544 5.947) 27.589 10.783 ( 0.278 8.547 -5.922) 10.402 11.633 ( -0.295 0.289 5.204) 5.220 11.846 ( 21.272 8.581 4.837) 23.442 15.510 ( -4.516 -5.578 -14.707) 16.364 18.553 ( -2.072 -2.304 -9.462) 9.956 20.347 ( -8.516 -8.287 11.752) 16.713 ======================= Grid point 721 (259/580) ======================= q-point: ( 0.56 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -9.191 -3.348 -4.089) 10.602 2.733 ( 0.356 -3.707 1.356) 3.963 4.047 ( -9.230 -10.988 12.344) 18.928 6.033 ( 4.441 9.101 -3.170) 10.611 6.392 ( -9.640 10.788 -9.591) 17.358 10.575 ( 5.971 2.764 6.625) 9.337 10.846 ( -2.126 9.425 -2.067) 9.881 11.634 ( -1.815 1.339 2.228) 3.170 12.469 ( 32.450 10.445 1.262) 34.113 15.269 ( -9.486 -7.884 -9.950) 15.847 18.507 ( 1.158 -0.169 -6.098) 6.209 20.164 ( -7.199 -6.957 6.595) 11.988 ======================= Grid point 722 (260/580) ======================= q-point: ( 0.61 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -4.044 0.976 -4.948) 6.465 2.706 ( 0.669 -3.809 0.322) 3.881 3.737 ( -12.884 -11.508 -6.840) 18.580 6.103 ( 4.362 -0.593 -0.414) 4.421 6.449 ( -6.983 22.832 -1.632) 23.932 10.671 ( 2.445 -0.409 7.531) 7.929 10.891 ( -2.441 8.665 0.814) 9.039 11.606 ( -3.639 1.587 -0.553) 4.008 12.981 ( 16.121 -1.803 -3.256) 16.545 15.049 ( -2.876 -2.802 -5.023) 6.430 18.552 ( 4.551 1.844 -1.726) 5.205 19.999 ( -6.062 -5.798 1.397) 8.504 ======================= Grid point 723 (261/580) ======================= q-point: (-0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 3.205 5.397 -5.629) 8.431 2.683 ( 0.942 -3.592 -0.365) 3.731 3.374 ( -12.030 -8.587 -16.955) 22.493 6.212 ( 5.152 1.668 2.466) 5.951 6.526 ( -6.990 19.854 0.501) 21.055 10.720 ( 1.113 -1.403 9.069) 9.244 10.951 ( -0.834 8.171 2.423) 8.564 11.533 ( -5.974 1.630 -2.888) 6.832 12.858 ( -14.908 -18.729 -6.706) 24.859 15.165 ( 14.194 5.791 -1.933) 15.451 18.692 ( 8.088 3.804 2.981) 9.422 19.844 ( -5.206 -4.895 -3.575) 7.990 ======================= Grid point 724 (262/580) ======================= q-point: (-0.28 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 9.007 7.908 -6.717) 13.740 2.663 ( 0.744 -3.294 -0.716) 3.452 3.049 ( -10.798 -5.702 -16.702) 20.690 6.196 ( -13.439 5.795 2.458) 14.840 6.734 ( 12.419 13.552 1.106) 18.415 10.721 ( -3.290 -3.665 10.621) 11.707 11.043 ( 1.010 7.740 3.712) 8.643 11.412 ( -8.430 1.377 -4.620) 9.711 12.193 ( -29.518 -24.111 -7.021) 38.754 15.522 ( 18.104 6.058 -2.839) 19.301 18.927 ( 11.535 5.551 7.712) 14.944 19.695 ( -4.585 -4.210 -8.275) 10.355 ======================= Grid point 725 (263/580) ======================= q-point: (-0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 11.158 8.143 -9.749) 16.907 2.631 ( -0.724 -3.558 -0.406) 3.654 2.774 ( -10.788 -3.759 -6.835) 13.312 5.923 ( -23.586 4.103 2.647) 24.086 7.186 ( 23.558 11.930 -0.850) 26.420 10.446 ( -28.500 -15.600 9.405) 33.824 11.158 ( -0.366 7.539 7.563) 10.685 11.216 ( -7.832 -4.884 -9.257) 13.073 11.558 ( -14.118 -8.887 -3.028) 16.955 15.845 ( 14.570 3.529 -5.053) 15.820 19.247 ( 13.978 6.642 13.006) 20.215 19.547 ( -3.819 -3.576 -13.436) 14.419 ======================= Grid point 726 (264/580) ======================= q-point: (-0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 7.252 6.006 -16.112) 18.662 2.527 ( -7.196 -4.592 12.079) 14.791 2.601 ( -5.474 -1.283 0.701) 5.666 5.505 ( -27.589 0.806 2.394) 27.704 7.741 ( 26.761 10.476 -4.839) 29.143 9.496 ( -52.048 -26.525 6.094) 58.734 11.009 ( -6.822 -2.778 -4.420) 8.591 11.294 ( 3.911 5.060 3.359) 7.224 11.435 ( -1.210 1.694 3.023) 3.670 16.060 ( 9.755 1.478 -8.113) 12.773 19.398 ( -4.314 -2.828 -9.765) 11.044 19.626 ( 16.470 6.840 10.026) 20.458 ======================= Grid point 727 (265/580) ======================= q-point: (-0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -5.871 0.985 -7.917) 9.905 2.466 ( -7.846 -2.277 2.289) 8.484 2.501 ( -1.264 -0.430 21.962) 22.002 5.025 ( -26.924 -1.850 1.149) 27.012 7.931 ( -35.118 -12.953 -13.679) 39.852 8.617 ( 2.380 -5.748 11.492) 13.068 10.858 ( -6.875 -0.455 -5.745) 8.971 11.419 ( 3.941 3.580 4.245) 6.810 11.486 ( 2.236 1.855 5.698) 6.396 16.159 ( 4.710 0.150 -14.130) 14.896 19.275 ( -2.591 -1.644 -11.504) 11.906 20.019 ( 16.127 6.208 15.083) 22.937 ======================= Grid point 733 (266/580) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 28.903 12.183) 31.366 1.994 ( -0.000 16.559 21.499) 27.137 3.216 ( -0.000 6.280 63.657) 63.966 3.963 ( 0.000 9.565 -11.178) 14.711 4.566 ( 0.000 50.181 -8.381) 50.876 9.658 ( 0.000 -15.825 -11.647) 19.649 10.407 ( 0.000 2.401 -8.983) 9.298 11.761 ( -0.000 0.229 7.271) 7.275 11.777 ( -0.000 -2.680 7.828) 8.274 14.004 ( 0.000 65.364 -78.734) 102.330 19.951 ( -0.000 -35.006 10.555) 36.563 21.368 ( -0.000 -17.269 28.925) 33.688 ======================= Grid point 734 (267/580) ======================= q-point: ( 0.28 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 11.025 22.247 12.387) 27.747 2.196 ( 2.659 3.962 18.506) 19.111 3.463 ( 1.155 2.251 56.848) 56.904 4.056 ( 2.044 15.707 -12.217) 20.003 5.307 ( 21.886 58.669 -3.748) 62.731 9.334 ( -11.790 -17.839 -12.804) 24.923 10.451 ( 4.158 3.583 -9.074) 10.605 11.732 ( -3.726 -1.466 6.926) 8.000 11.780 ( -1.054 -1.572 8.349) 8.561 14.510 ( 17.250 43.905 -63.325) 78.964 19.578 ( -8.067 -27.151 5.616) 28.875 21.251 ( -4.532 -15.422 25.741) 30.347 ======================= Grid point 735 (268/580) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.327 -4.348 10.406) 11.283 2.431 ( 9.503 11.693 12.085) 19.315 3.693 ( 2.521 0.941 55.702) 55.767 4.309 ( 8.390 25.553 -11.622) 29.298 6.371 ( 34.603 53.347 -4.328) 63.734 8.860 ( -16.181 -17.532 -11.875) 26.649 10.540 ( 4.099 5.302 -8.966) 11.193 11.669 ( -4.204 -1.353 6.619) 7.958 11.761 ( -2.222 -1.699 8.205) 8.668 14.984 ( 17.364 25.243 -46.615) 55.783 19.207 ( -8.786 -18.208 -1.464) 20.270 21.078 ( -7.006 -14.640 22.979) 28.133 ======================= Grid point 736 (269/580) ======================= q-point: ( 0.39 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -3.483 -8.264 4.154) 9.884 2.656 ( 4.351 2.938 8.745) 10.200 3.928 ( 3.653 -1.103 53.440) 53.576 4.770 ( 13.088 33.763 -8.534) 37.203 7.366 ( 26.066 24.691 -16.837) 39.656 8.489 ( -3.754 3.214 -0.726) 4.995 10.635 ( 3.150 6.493 -8.396) 11.071 11.607 ( -3.981 -0.909 6.553) 7.721 11.730 ( -2.350 -1.318 7.559) 8.025 15.303 ( 12.785 12.102 -32.807) 37.231 18.905 ( -7.154 -11.416 -7.346) 15.345 20.871 ( -8.294 -13.978 20.099) 25.848 ======================= Grid point 737 (270/580) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -6.728 -8.684 0.151) 10.986 2.725 ( 1.260 -2.125 5.605) 6.125 4.127 ( 2.907 -4.826 47.196) 47.531 5.333 ( 12.550 36.219 -5.523) 38.728 7.321 ( -12.567 -14.572 -26.381) 32.653 9.110 ( 34.218 36.713 7.934) 50.810 10.725 ( 2.574 6.975 -7.528) 10.580 11.566 ( -2.090 -0.284 6.513) 6.847 11.710 ( -1.634 0.050 6.450) 6.654 15.456 ( 6.825 2.573 -22.677) 23.821 18.681 ( -4.986 -6.734 -10.284) 13.265 20.649 ( -8.514 -12.898 16.660) 22.724 ======================= Grid point 738 (271/580) ======================= q-point: ( 0.50 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -8.870 -6.998 -2.259) 11.522 2.716 ( 0.381 -4.744 3.449) 5.878 4.213 ( -0.767 -10.251 35.749) 37.197 5.841 ( 7.465 30.066 -4.206) 31.263 6.862 ( -14.991 -4.914 -21.782) 26.895 10.044 ( 28.114 26.421 6.860) 39.186 10.829 ( 3.601 9.308 -6.821) 12.088 11.603 ( 4.789 0.546 6.461) 8.061 11.728 ( 1.333 2.390 4.407) 5.187 15.444 ( 0.213 -4.242 -15.675) 16.240 18.531 ( -2.435 -3.517 -10.085) 10.955 20.431 ( -7.960 -11.384 12.546) 18.718 ======================= Grid point 739 (272/580) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -9.185 -3.592 -3.878) 10.597 2.677 ( 0.660 -6.136 2.031) 6.497 4.105 ( -7.041 -15.475 17.821) 24.630 6.064 ( -0.782 5.414 -6.438) 8.448 6.713 ( -7.808 27.190 -9.523) 29.849 10.526 ( 7.333 7.315 6.078) 12.009 10.987 ( 0.530 14.087 -3.321) 14.483 11.690 ( -0.479 2.542 4.192) 4.925 12.009 ( 27.051 4.537 1.718) 27.483 15.287 ( -5.652 -7.853 -10.712) 14.435 18.462 ( 0.598 -1.128 -7.519) 7.626 20.229 ( -7.065 -9.666 7.976) 14.386 ======================= Grid point 740 (273/580) ======================= q-point: ( 0.61 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -6.821 1.141 -5.132) 8.612 2.635 ( 1.442 -6.707 1.077) 6.945 3.802 ( -11.572 -15.850 -1.002) 19.650 6.045 ( 1.241 -0.848 -2.186) 2.653 6.902 ( -10.004 37.502 -2.773) 38.912 10.644 ( 2.455 0.389 5.178) 5.743 11.072 ( -4.697 12.719 0.481) 13.567 11.699 ( -3.240 3.902 1.960) 5.437 12.550 ( 28.049 -3.130 -1.902) 28.287 15.069 ( -5.995 -6.001 -6.556) 10.721 18.482 ( 3.966 0.842 -3.752) 5.524 20.044 ( -6.202 -8.006 3.387) 10.678 ======================= Grid point 741 (274/580) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -1.683 5.904 -6.142) 8.684 2.603 ( 2.270 -6.572 0.454) 6.968 3.433 ( -11.529 -11.232 -12.273) 20.241 6.110 ( 6.512 0.494 1.669) 6.740 7.034 ( -16.703 35.213 -0.614) 38.978 10.693 ( 2.369 -1.685 5.410) 6.142 11.111 ( -4.765 11.520 1.875) 12.607 11.668 ( -5.788 4.864 0.557) 7.581 12.738 ( 4.965 -18.830 -5.145) 20.142 15.013 ( 5.994 1.341 -3.339) 6.991 18.593 ( 7.525 2.576 0.166) 7.955 19.874 ( -5.574 -6.555 -0.723) 8.635 ======================= Grid point 742 (275/580) ======================= q-point: (-0.28 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 4.249 8.769 -7.189) 12.110 2.586 ( 2.696 -5.832 0.231) 6.429 3.121 ( -9.591 -5.715 -13.652) 17.636 6.272 ( 8.594 2.076 2.263) 9.126 7.032 ( -19.617 29.525 -0.004) 35.448 10.728 ( 1.577 -2.521 6.067) 6.756 11.156 ( -3.057 9.713 1.868) 10.352 11.599 ( -8.641 5.877 0.347) 10.456 12.340 ( -18.525 -27.460 -5.951) 33.655 15.249 ( 16.786 3.851 -3.279) 17.531 18.794 ( 11.193 3.965 3.224) 12.304 19.714 ( -5.237 -5.269 -3.666) 8.284 ======================= Grid point 743 (276/580) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 8.222 9.172 -9.057) 15.290 2.578 ( 2.170 -4.740 0.953) 5.299 2.893 ( -8.658 -1.996 -5.900) 10.666 6.356 ( -9.437 6.902 1.985) 11.859 7.054 ( -0.704 18.492 -1.469) 18.563 10.689 ( -8.257 -4.968 7.416) 12.160 11.190 ( -2.730 2.612 -2.531) 4.548 11.457 ( -16.087 1.601 3.515) 16.544 11.696 ( -16.834 -16.151 -4.648) 23.788 15.573 ( 17.421 2.020 -5.144) 18.277 19.073 ( 14.494 4.314 2.692) 15.360 19.566 ( -5.008 -3.653 -2.898) 6.843 ======================= Grid point 744 (277/580) ======================= q-point: (-0.17 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 8.489 8.022 -11.952) 16.711 2.566 ( 0.196 -3.601 4.368) 5.665 2.737 ( -8.310 -0.181 7.201) 10.997 6.077 ( -29.399 8.117 1.420) 30.532 7.385 ( 20.949 9.587 -4.517) 23.477 10.129 ( -44.162 -19.069 4.770) 48.339 11.024 ( -2.540 -6.563 -6.531) 9.601 11.360 ( -1.964 6.511 6.771) 9.596 11.513 ( -4.918 2.614 0.797) 5.627 15.837 ( 13.715 0.519 -7.805) 15.789 19.309 ( 7.022 -1.619 -19.902) 21.167 19.533 ( 5.153 3.453 20.295) 21.222 ======================= Grid point 745 (278/580) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 3.406 6.378 -10.770) 12.972 2.542 ( -2.164 -2.267 7.571) 8.194 2.651 ( -6.787 0.352 21.370) 22.424 5.577 ( -33.991 3.670 -0.036) 34.188 7.853 ( 23.121 5.979 -10.130) 25.941 9.061 ( -52.851 -19.509 6.158) 56.672 10.930 ( -3.472 -1.052 -5.796) 6.837 11.432 ( 0.944 4.311 5.785) 7.276 11.499 ( -0.442 1.531 3.899) 4.212 16.002 ( 8.466 0.147 -12.310) 14.941 19.238 ( -0.611 -2.392 -18.761) 18.923 19.860 ( 14.872 4.862 21.376) 26.491 ======================= Grid point 752 (279/580) ======================= q-point: ( 0.28 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -0.000 20.231 12.164) 23.606 2.241 ( -0.000 -2.766 15.903) 16.141 3.651 ( -0.000 1.079 54.565) 54.575 4.157 ( 0.000 17.836 -11.811) 21.392 5.751 ( 0.000 65.808 -2.339) 65.850 9.212 ( 0.000 -19.272 -14.035) 23.842 10.414 ( 0.000 4.056 -8.645) 9.549 11.758 ( -0.000 -4.130 7.367) 8.446 11.803 ( -0.000 -1.432 8.491) 8.611 14.613 ( 0.000 41.462 -55.590) 69.349 19.387 ( -0.000 -25.511 2.174) 25.604 21.208 ( -0.000 -16.653 23.858) 29.095 ======================= Grid point 753 (280/580) ======================= q-point: ( 0.33 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -0.318 -8.227 10.879) 13.643 2.447 ( 6.102 11.918 11.216) 17.466 3.843 ( 1.147 -0.442 53.732) 53.747 4.386 ( 7.216 24.728 -10.840) 27.947 6.512 ( 13.855 59.122 -4.546) 60.894 8.887 ( -10.106 -15.561 -12.277) 22.249 10.478 ( 4.741 4.838 -8.500) 10.869 11.721 ( -1.912 -3.806 6.863) 8.077 11.799 ( -1.282 -2.317 8.162) 8.581 14.892 ( 7.964 29.524 -43.855) 53.463 19.120 ( -3.974 -19.263 -2.713) 19.855 21.083 ( -3.385 -16.836 21.770) 27.728 ======================= Grid point 754 (281/580) ======================= q-point: ( 0.39 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -1.386 -11.383 5.970) 12.928 2.647 ( 3.672 3.635 8.460) 9.913 4.027 ( 2.156 -3.426 51.638) 51.796 4.840 ( 14.778 32.499 -7.934) 36.572 7.223 ( 13.899 26.840 -16.113) 34.252 8.627 ( -5.346 9.550 -1.847) 11.099 10.594 ( 5.228 5.524 -7.917) 10.979 11.671 ( -2.459 -2.583 6.150) 7.110 11.773 ( -1.741 -2.345 7.329) 7.890 15.149 ( 8.717 16.692 -32.180) 37.285 18.864 ( -4.852 -12.594 -7.340) 15.363 20.904 ( -5.614 -16.460 19.377) 26.037 ======================= Grid point 755 (282/580) ======================= q-point: ( 0.44 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -3.049 -11.647 2.056) 12.213 2.710 ( 0.350 -1.614 5.587) 5.826 4.172 ( 2.076 -8.091 46.659) 47.400 5.446 ( 15.899 36.441 -5.083) 40.082 7.243 ( -4.891 -12.302 -26.506) 29.628 9.070 ( 18.758 42.446 7.731) 47.046 10.705 ( 3.953 5.284 -6.605) 9.337 11.628 ( -2.535 -0.861 5.103) 5.763 11.751 ( -1.099 -1.166 6.350) 6.549 15.304 ( 6.253 5.893 -22.523) 24.106 18.656 ( -4.267 -7.344 -10.150) 13.235 20.693 ( -6.715 -15.455 16.454) 23.552 ======================= Grid point 756 (283/580) ======================= q-point: ( 0.50 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -4.780 -9.474 -0.845) 10.645 2.683 ( -1.050 -4.763 3.660) 6.098 4.219 ( -0.332 -14.210 37.022) 39.657 5.996 ( 7.657 28.039 -4.827) 29.463 6.944 ( -5.140 -1.069 -22.249) 22.861 9.911 ( 24.681 36.878 7.260) 44.965 10.798 ( 4.349 4.119 -5.326) 8.015 11.607 ( -1.215 1.132 3.895) 4.234 11.758 ( -0.087 0.820 5.180) 5.245 15.335 ( 2.260 -2.171 -15.321) 15.638 18.505 ( -2.778 -3.744 -10.482) 11.472 20.475 ( -6.867 -13.834 12.904) 20.126 ======================= Grid point 757 (284/580) ======================= q-point: ( 0.56 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -6.007 -5.194 -3.017) 8.495 2.616 ( -0.768 -6.993 2.519) 7.473 4.099 ( -5.105 -19.584 21.530) 29.549 6.114 ( -3.998 1.132 -8.892) 9.815 7.074 ( 1.935 36.229 -9.069) 37.397 10.528 ( 7.520 16.111 6.353) 18.881 10.990 ( 13.656 10.541 -4.203) 17.756 11.664 ( 5.792 2.305 3.367) 7.085 11.798 ( 1.942 2.035 3.166) 4.235 15.245 ( -2.231 -6.802 -10.226) 12.483 18.420 ( -0.375 -1.354 -8.577) 8.692 20.267 ( -6.453 -11.800 8.886) 16.120 ======================= Grid point 758 (285/580) ======================= q-point: ( 0.61 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -5.986 0.486 -4.688) 7.619 2.542 ( 0.597 -8.506 1.843) 8.724 3.810 ( -9.223 -19.691 4.526) 22.210 6.025 ( -1.401 -1.528 -3.967) 4.476 7.465 ( -5.302 46.184 -3.460) 46.616 10.648 ( -0.453 2.255 3.542) 4.223 11.259 ( 0.660 13.193 -0.254) 13.212 11.792 ( -0.576 4.931 3.769) 6.233 12.010 ( 24.837 -5.371 -1.158) 25.437 15.079 ( -4.791 -6.708 -6.521) 10.511 18.412 ( 2.780 0.319 -5.349) 6.037 20.074 ( -5.888 -9.638 4.828) 12.283 ======================= Grid point 759 (286/580) ======================= q-point: ( 0.67 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -4.056 6.000 -5.940) 9.367 2.484 ( 2.417 -9.011 1.436) 9.439 3.462 ( -9.808 -14.065 -6.842) 18.462 6.027 ( 3.382 -0.499 0.339) 3.435 7.740 ( -16.172 45.984 -1.036) 48.755 10.659 ( 0.758 -1.283 2.535) 2.940 11.330 ( -5.383 11.643 1.465) 12.911 11.815 ( -3.753 5.936 2.353) 7.406 12.306 ( 19.497 -18.979 -3.339) 27.413 14.957 ( -0.586 -1.805 -3.865) 4.306 18.488 ( 6.304 1.565 -1.995) 6.794 19.900 ( -5.443 -7.545 1.341) 9.399 ======================= Grid point 760 (287/580) ======================= q-point: (-0.28 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.365 9.365 -6.887) 11.630 2.458 ( 4.013 -8.212 1.327) 9.236 3.173 ( -7.901 -6.608 -9.840) 14.245 6.129 ( 8.144 0.110 1.408) 8.265 7.803 ( -26.233 40.219 -0.024) 48.018 10.678 ( 2.546 -1.845 1.985) 3.718 11.342 ( -5.855 9.410 2.317) 11.323 11.800 ( -6.041 6.738 1.385) 9.155 12.215 ( -0.947 -28.542 -3.963) 28.832 15.031 ( 9.878 2.069 -3.098) 10.557 18.646 ( 9.853 2.315 0.160) 10.122 19.744 ( -5.148 -5.476 -0.678) 7.546 ======================= Grid point 761 (288/580) ======================= q-point: (-0.22 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 3.738 9.810 -7.882) 13.128 2.467 ( 4.707 -6.328 1.883) 8.108 2.992 ( -6.215 -0.798 -4.487) 7.707 6.310 ( 11.143 0.691 0.449) 11.173 7.647 ( -31.041 29.873 -0.548) 43.085 10.719 ( 2.021 -0.296 2.161) 2.974 11.314 ( -7.627 2.878 1.294) 8.254 11.744 ( -15.678 -8.353 3.608) 18.127 11.754 ( -8.281 -9.961 -4.537) 13.725 15.276 ( 16.158 1.585 -4.202) 16.771 18.867 ( 12.733 1.872 -1.290) 12.934 19.615 ( -4.498 -2.900 0.973) 5.440 ======================= Grid point 762 (289/580) ======================= q-point: (-0.17 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 6.551 8.333 -8.997) 13.903 2.501 ( 4.072 -4.090 3.336) 6.666 2.900 ( -6.133 2.250 7.260) 9.766 6.457 ( -0.622 2.405 -0.557) 2.546 7.409 ( -17.312 16.181 -3.280) 23.922 10.636 ( -23.721 -4.432 4.167) 24.489 10.976 ( -8.488 -13.769 -5.841) 17.198 11.472 ( -3.692 0.779 5.618) 6.768 11.671 ( -8.018 4.877 0.212) 9.387 15.557 ( 16.116 0.693 -6.220) 17.288 19.073 ( 11.172 -1.289 -12.043) 16.477 19.574 ( 0.094 1.584 12.131) 12.234 ======================= Grid point 763 (290/580) ======================= q-point: (-0.11 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 6.962 6.461 -8.956) 13.055 2.540 ( 2.100 -2.011 4.996) 5.780 2.863 ( -6.784 3.056 22.017) 23.241 6.196 ( -30.026 2.365 -1.197) 30.143 7.496 ( 15.764 4.800 -7.781) 18.223 9.832 ( -49.649 -10.649 2.220) 50.826 10.916 ( 1.618 -0.775 -3.655) 4.071 11.480 ( -0.278 1.290 6.716) 6.844 11.581 ( -5.980 1.768 0.740) 6.279 15.790 ( 12.357 0.988 -9.476) 15.604 19.115 ( 3.914 -3.198 -20.517) 21.131 19.759 ( 9.931 4.119 21.957) 24.448 ======================= Grid point 771 (291/580) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -0.000 -12.427 9.191) 15.457 2.540 ( -0.000 9.259 9.916) 13.567 3.994 ( -0.000 -2.639 52.684) 52.750 4.528 ( 0.000 25.762 -10.112) 27.675 6.944 ( 0.000 48.425 -9.135) 49.279 8.824 ( 0.000 -4.537 -9.177) 10.237 10.455 ( 0.000 5.501 -8.023) 9.728 11.712 ( -0.000 -5.033 6.903) 8.543 11.808 ( -0.000 -3.409 7.601) 8.330 14.979 ( 0.000 25.768 -36.991) 45.082 18.959 ( -0.000 -15.988 -5.328) 16.853 21.006 ( -0.000 -17.834 20.235) 26.973 ======================= Grid point 772 (292/580) ======================= q-point: ( 0.39 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -0.386 -14.740 6.466) 16.100 2.661 ( 2.009 3.838 7.816) 8.936 4.123 ( 0.436 -6.416 50.208) 50.618 4.876 ( 12.088 29.080 -7.710) 32.422 7.250 ( 1.475 11.823 -20.340) 23.573 8.872 ( -1.988 28.290 0.836) 28.372 10.533 ( 4.649 5.869 -7.542) 10.627 11.679 ( -0.508 -4.609 6.430) 7.928 11.787 ( -0.708 -3.747 6.635) 7.653 15.122 ( 3.122 17.122 -28.568) 33.452 18.781 ( -2.224 -10.816 -8.220) 13.766 20.865 ( -2.724 -17.900 18.333) 25.767 ======================= Grid point 773 (293/580) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -0.514 -15.118 3.669) 15.565 2.716 ( -0.135 -0.580 5.327) 5.360 4.200 ( 0.561 -11.910 45.310) 46.853 5.454 ( 20.202 31.836 -4.659) 37.992 7.103 ( -4.206 -13.488 -26.218) 29.783 9.340 ( 6.631 48.921 6.193) 49.755 10.658 ( 5.050 5.626 -6.193) 9.773 11.650 ( -0.403 -3.099 5.116) 5.996 11.763 ( -0.265 -2.710 5.634) 6.257 15.222 ( 3.017 7.611 -20.550) 22.121 18.619 ( -3.116 -6.023 -10.222) 12.266 20.681 ( -4.528 -17.108 15.916) 23.802 ======================= Grid point 774 (294/580) ======================= q-point: ( 0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -0.606 -13.219 1.100) 13.278 2.685 ( -2.472 -3.434 3.449) 5.459 4.184 ( -0.718 -18.551 36.755) 41.178 6.074 ( 12.945 25.013 -3.906) 28.434 6.856 ( 3.344 -3.813 -22.865) 23.420 10.013 ( 12.869 44.015 6.061) 46.257 10.759 ( 2.544 3.971 -3.756) 6.029 11.640 ( -0.045 -0.415 2.594) 2.627 11.768 ( 0.913 -0.675 4.953) 5.082 15.239 ( 1.411 -0.470 -13.892) 13.972 18.488 ( -2.986 -2.583 -10.559) 11.273 20.477 ( -5.360 -15.509 12.891) 20.867 ======================= Grid point 775 (295/580) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -0.783 -8.786 -1.195) 8.901 2.595 ( -3.427 -5.726 2.402) 7.092 4.033 ( -3.726 -23.535 23.518) 33.479 6.164 ( -5.316 -1.320 -9.856) 11.275 7.226 ( 19.432 33.836 -8.853) 40.011 10.647 ( 10.323 31.476 6.376) 33.734 10.807 ( 5.257 -0.712 -2.642) 5.926 11.662 ( 0.675 2.823 0.149) 2.906 11.809 ( 1.469 1.153 4.126) 4.529 15.175 ( -0.792 -5.587 -8.888) 10.528 18.399 ( -1.710 -0.453 -9.076) 9.247 20.274 ( -5.447 -13.279 9.363) 17.137 ======================= Grid point 776 (296/580) ======================= q-point: ( 0.61 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -1.162 -2.197 -3.211) 4.060 2.478 ( -2.649 -7.976 2.020) 8.643 3.756 ( -6.577 -22.859 9.037) 25.445 6.034 ( -3.336 -1.860 -5.275) 6.513 7.889 ( 10.935 45.289 -4.120) 46.772 10.743 ( -5.313 3.501 1.861) 6.630 11.186 ( 17.962 7.980 1.786) 19.736 11.719 ( 3.219 1.935 -1.283) 3.969 11.861 ( 0.929 2.673 3.263) 4.319 15.057 ( -2.575 -6.363 -5.418) 8.745 18.365 ( 0.760 0.755 -6.297) 6.388 20.086 ( -5.174 -10.706 5.717) 13.194 ======================= Grid point 777 (297/580) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -1.773 4.898 -4.861) 7.125 2.368 ( -0.117 -9.884 2.072) 10.099 3.443 ( -7.216 -16.414 -1.460) 17.989 5.986 ( 0.404 -0.836 -1.002) 1.366 8.426 ( -4.577 50.287 -1.466) 50.516 10.679 ( -3.831 -0.221 0.909) 3.944 11.459 ( 6.756 2.871 1.617) 7.516 11.783 ( 10.181 -13.169 -2.225) 16.794 11.923 ( 0.481 5.401 2.545) 5.990 14.949 ( -2.015 -3.017 -3.226) 4.855 18.402 ( 4.048 1.373 -3.291) 5.395 19.918 ( -4.858 -8.042 2.581) 9.744 ======================= Grid point 778 (298/580) ======================= q-point: (-0.28 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -2.084 9.704 -5.971) 11.583 2.302 ( 3.506 -10.225 2.291) 11.050 3.195 ( -5.694 -7.689 -5.558) 11.065 6.020 ( 4.345 -0.578 0.595) 4.424 8.682 ( -22.878 46.871 0.162) 52.157 10.635 ( 0.276 -1.523 -0.261) 1.570 11.525 ( -2.724 4.133 2.239) 5.433 11.767 ( 10.175 -24.193 -3.090) 26.426 11.972 ( -1.382 2.729 1.967) 3.637 14.931 ( 2.789 0.742 -2.290) 3.684 18.510 ( 7.489 1.471 -1.407) 7.761 19.775 ( -4.547 -5.342 0.817) 7.062 ======================= Grid point 779 (299/580) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -0.822 10.130 -6.502) 12.065 2.305 ( 6.384 -7.923 2.577) 10.496 3.061 ( -3.670 -0.206 -2.718) 4.572 6.129 ( 8.723 -0.575 0.038) 8.742 8.558 ( -36.401 31.890 -0.182) 48.394 10.669 ( 3.840 1.206 -0.492) 4.055 11.465 ( -6.089 -6.134 0.883) 8.689 11.632 ( 0.067 -15.433 -0.137) 15.433 11.941 ( -5.772 3.167 0.890) 6.643 15.049 ( 10.043 1.623 -2.637) 10.509 18.672 ( 10.178 0.664 -2.346) 10.466 19.665 ( -3.764 -2.353 1.864) 4.815 ======================= Grid point 780 (300/580) ======================= q-point: (-0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 2.309 7.252 -6.713) 10.148 2.373 ( 6.967 -4.100 3.088) 8.654 3.034 ( -2.907 4.255 6.188) 8.053 6.304 ( 11.949 -0.731 -1.911) 12.123 8.105 ( -39.371 13.333 -2.037) 41.617 10.770 ( 4.500 3.595 -0.376) 5.772 11.117 ( -20.460 -13.604 -1.478) 24.614 11.549 ( -3.212 0.015 5.404) 6.286 11.847 ( -7.610 1.509 -0.716) 7.791 15.275 ( 14.872 1.320 -4.023) 15.463 18.837 ( 10.341 -1.480 -8.172) 13.262 19.629 ( -0.856 1.182 7.870) 8.004 ======================= Grid point 781 (301/580) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 5.684 3.818 -6.603) 9.512 2.472 ( 5.529 -0.743 3.815) 6.759 3.071 ( -3.812 5.808 18.849) 20.089 6.447 ( 2.277 -1.737 -3.712) 4.689 7.558 ( -24.060 -0.303 -5.191) 24.616 10.518 ( -34.774 -6.735 -1.078) 35.436 10.883 ( 0.998 7.364 -0.164) 7.434 11.520 ( -2.053 -1.239 6.471) 6.901 11.712 ( -7.656 -0.699 -0.808) 7.730 15.538 ( 14.957 1.756 -6.510) 16.407 18.923 ( 6.884 -3.223 -15.954) 17.672 19.731 ( 5.371 3.497 16.378) 17.588 ======================= Grid point 790 (302/580) ======================= q-point: ( 0.39 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -0.000 -17.169 5.846) 18.137 2.701 ( -0.000 2.345 6.615) 7.019 4.199 ( -0.000 -11.010 48.705) 49.934 5.016 ( 0.000 27.563 -7.496) 28.564 7.189 ( 0.000 -8.400 -24.844) 26.226 9.281 ( 0.000 47.709 3.914) 47.869 10.527 ( 0.000 6.511 -7.151) 9.671 11.652 ( -0.000 -5.279 6.541) 8.406 11.770 ( -0.000 -4.350 5.794) 7.245 15.167 ( 0.000 12.795 -23.185) 26.481 18.679 ( 0.000 -7.152 -9.463) 11.862 20.763 ( -0.000 -18.348 16.924) 24.961 ======================= Grid point 791 (303/580) ======================= q-point: ( 0.44 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.376 -18.031 4.591) 18.610 2.734 ( -0.233 -0.101 4.882) 4.889 4.205 ( -0.763 -17.094 43.885) 47.103 5.406 ( 15.514 27.152 -5.211) 31.703 6.938 ( -3.414 -16.409 -25.709) 30.690 9.816 ( 0.600 52.824 4.560) 53.024 10.615 ( 4.531 7.181 -6.171) 10.496 11.625 ( 0.468 -4.744 5.882) 7.571 11.748 ( 0.150 -3.283 4.965) 5.955 15.203 ( 0.463 6.049 -17.323) 18.354 18.580 ( -1.667 -3.320 -10.374) 11.019 20.614 ( -2.185 -17.829 15.018) 23.414 ======================= Grid point 792 (304/580) ======================= q-point: ( 0.50 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 1.589 -16.843 3.015) 17.185 2.713 ( -2.431 -2.133 3.176) 4.533 4.112 ( -1.560 -23.636 35.478) 42.659 6.011 ( 21.342 24.565 -2.377) 32.628 6.658 ( 0.801 -10.627 -23.055) 25.399 10.334 ( 2.549 39.343 2.588) 39.510 10.779 ( 3.883 14.003 -2.640) 14.770 11.616 ( 1.442 -2.983 3.640) 4.922 11.752 ( 1.152 -1.140 4.426) 4.714 15.184 ( -0.262 -0.668 -11.835) 11.857 18.489 ( -2.705 -0.414 -10.319) 10.676 20.436 ( -3.565 -16.369 12.507) 20.907 ======================= Grid point 793 (305/580) ======================= q-point: ( 0.56 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 3.276 -13.047 1.290) 13.513 2.629 ( -4.716 -3.701 1.959) 6.307 3.913 ( -2.855 -27.395 24.024) 36.548 6.205 ( -4.879 -2.135 -9.501) 10.892 7.018 ( 33.245 24.526 -8.241) 42.126 10.647 ( 6.073 7.530 -1.151) 9.741 11.023 ( -3.312 31.326 3.817) 31.731 11.645 ( 2.964 0.138 -0.042) 2.967 11.792 ( 2.213 0.278 3.842) 4.442 15.109 ( -1.002 -5.366 -7.261) 9.083 18.413 ( -2.787 1.343 -8.958) 9.477 20.251 ( -4.137 -14.094 9.430) 17.455 ======================= Grid point 794 (306/580) ======================= q-point: ( 0.61 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 4.733 -6.705 -0.440) 8.219 2.495 ( -5.998 -5.293 1.358) 8.114 3.642 ( -4.053 -25.213 12.185) 28.295 6.065 ( -4.361 -1.781 -5.865) 7.523 7.889 ( 33.157 33.467 -4.233) 47.301 10.741 ( 4.745 -4.503 -0.532) 6.563 11.233 ( -7.118 22.743 4.964) 24.343 11.713 ( 2.790 2.916 -2.615) 4.809 11.853 ( 3.034 0.852 2.962) 4.325 15.010 ( -1.135 -6.272 -3.950) 7.499 18.366 ( -1.578 2.143 -6.461) 6.988 20.076 ( -4.157 -11.270 6.094) 13.470 ======================= Grid point 795 (307/580) ======================= q-point: ( 0.67 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 5.015 0.973 -2.059) 5.508 2.333 ( -5.523 -7.315 1.377) 9.269 3.374 ( -4.214 -17.735 3.130) 18.495 5.987 ( -1.873 -0.604 -2.022) 2.822 8.755 ( 22.920 41.807 -2.257) 47.731 10.741 ( 0.244 -3.782 0.263) 3.799 11.244 ( -3.237 -4.160 2.092) 5.671 11.750 ( -1.247 2.878 -0.906) 3.265 11.940 ( 3.482 3.015 1.409) 4.817 14.933 ( -0.691 -3.479 -2.011) 4.077 18.364 ( 0.882 2.245 -3.609) 4.341 19.923 ( -3.946 -8.205 3.084) 9.613 ======================= Grid point 796 (308/580) ======================= q-point: ( 0.72 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 2.876 8.311 -3.660) 9.526 2.181 ( -1.996 -9.897 2.075) 10.307 3.180 ( -3.102 -8.183 -1.496) 8.878 5.971 ( 0.898 -0.400 -0.154) 0.995 9.428 ( -1.572 49.432 -0.007) 49.457 10.665 ( -5.980 -0.897 -1.064) 6.139 11.119 ( 12.737 -31.643 -0.624) 34.116 11.737 ( -4.138 3.791 2.370) 6.092 12.015 ( 1.196 2.455 -0.265) 2.744 14.907 ( 0.442 -0.110 -1.172) 1.257 18.419 ( 4.011 1.835 -1.611) 4.696 19.797 ( -3.625 -5.099 1.181) 6.367 ======================= Grid point 797 (309/580) ======================= q-point: (-0.22 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -2.618 11.048 -5.104) 12.448 2.115 ( 5.798 -9.763 3.166) 11.788 3.098 ( -1.289 0.200 -1.015) 1.653 6.010 ( 4.252 -0.606 -0.066) 4.296 9.503 ( -36.635 28.488 0.333) 46.409 10.621 ( 2.984 1.998 -1.593) 3.929 11.121 ( 19.534 -24.046 -1.564) 31.020 11.699 ( -5.516 2.963 5.018) 8.023 12.019 ( -1.867 -0.108 -2.024) 2.756 14.943 ( 3.685 1.295 -1.085) 4.054 18.523 ( 6.746 0.857 -1.760) 7.024 19.707 ( -2.896 -1.983 1.352) 3.761 ======================= Grid point 798 (310/580) ======================= q-point: (-0.17 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -2.997 4.508 -4.813) 7.243 2.207 ( 9.312 -2.280 2.907) 10.018 3.125 ( 0.078 5.507 4.442) 7.076 6.108 ( 8.252 -1.004 -1.525) 8.451 8.898 ( -43.375 -1.245 -1.824) 43.432 10.698 ( 3.728 -1.671 -0.753) 4.154 11.232 ( 2.331 4.436 -1.070) 5.124 11.643 ( -5.106 0.618 6.947) 8.643 11.938 ( -4.328 -3.064 -3.272) 6.231 15.064 ( 9.467 1.295 -1.882) 9.739 18.643 ( 7.820 -0.778 -5.016) 9.323 19.676 ( -0.910 1.033 4.579) 4.782 ======================= Grid point 799 (311/580) ======================= q-point: (-0.11 0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 1.716 -0.443 -4.493) 4.830 2.371 ( 7.825 2.276 2.849) 8.633 3.225 ( 0.043 7.573 13.826) 15.764 6.258 ( 11.084 -1.786 -4.179) 11.979 8.071 ( -39.549 -14.496 -3.534) 42.269 10.673 ( -1.787 -7.681 -1.919) 8.117 11.239 ( -15.411 20.968 0.192) 26.023 11.573 ( -4.406 -3.728 6.791) 8.912 11.809 ( -5.512 -2.295 -1.650) 6.194 15.278 ( 14.280 1.375 -3.918) 14.871 18.730 ( 6.657 -2.263 -10.402) 12.556 19.737 ( 2.975 3.007 10.235) 11.075 ======================= Grid point 809 (312/580) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -0.000 -19.739 4.894) 20.337 2.749 ( -0.000 -0.552 4.040) 4.078 4.151 ( -0.000 -23.768 40.545) 46.998 5.496 ( 0.000 23.932 -5.445) 24.544 6.722 ( 0.000 -16.005 -23.630) 28.540 10.361 ( 0.000 51.130 2.821) 51.208 10.619 ( 0.000 6.917 -6.021) 9.170 11.589 ( -0.000 -5.087 6.131) 7.967 11.740 ( -0.000 -0.471 4.913) 4.936 15.192 ( 0.000 1.851 -13.465) 13.592 18.542 ( 0.000 -0.383 -10.357) 10.364 20.501 ( -0.000 -17.589 13.647) 22.262 ======================= Grid point 810 (313/580) ======================= q-point: ( 0.50 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 1.706 -19.551 4.706) 20.181 2.740 ( -1.426 -1.477 2.863) 3.523 3.988 ( -1.572 -29.441 32.978) 44.236 5.869 ( 17.854 21.498 -3.347) 28.145 6.488 ( -1.812 -11.299 -19.676) 22.762 10.620 ( -3.330 12.935 -3.300) 13.759 10.915 ( 7.283 33.407 -1.205) 34.213 11.571 ( 1.357 -4.065 5.475) 6.953 11.779 ( -1.137 6.589 5.363) 8.571 15.143 ( -0.733 -3.077 -9.427) 9.944 18.502 ( -1.669 1.927 -9.803) 10.129 20.356 ( -1.682 -16.360 11.669) 20.166 ======================= Grid point 811 (314/580) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 4.728 -16.518 4.053) 17.653 2.683 ( -3.899 -2.305 1.677) 4.830 3.741 ( -2.064 -30.829 23.238) 38.661 6.226 ( -2.693 -1.201 -7.828) 8.365 6.598 ( 32.676 15.836 -7.572) 37.092 10.661 ( -0.955 4.614 -2.089) 5.154 11.320 ( 7.127 22.777 -3.213) 24.082 11.601 ( 2.720 -0.278 4.919) 5.628 11.850 ( -5.058 13.414 5.117) 15.222 15.049 ( -1.247 -6.651 -5.617) 8.795 18.459 ( -2.886 3.348 -8.360) 9.456 20.198 ( -2.655 -14.205 9.046) 17.049 ======================= Grid point 812 (315/580) ======================= q-point: ( 0.61 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 8.049 -10.419 2.995) 13.502 2.570 ( -6.449 -2.967 0.748) 7.138 3.476 ( -1.837 -26.353 13.886) 29.844 6.108 ( -4.382 -1.204 -5.680) 7.274 7.452 ( 43.465 19.978 -3.251) 47.946 10.665 ( -0.128 -1.060 -0.271) 1.102 11.591 ( 6.534 10.511 -6.373) 13.921 11.686 ( -0.430 8.130 6.794) 10.603 11.866 ( -8.342 9.079 3.056) 12.702 14.948 ( -0.572 -6.836 -2.536) 7.314 18.418 ( -3.144 3.923 -5.957) 7.795 20.045 ( -2.970 -11.333 5.973) 13.151 ======================= Grid point 813 (316/580) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 10.222 -3.144 1.840) 10.852 2.409 ( -8.336 -3.622 0.155) 9.091 3.259 ( -1.271 -17.529 6.387) 18.699 6.023 ( -3.303 0.154 -2.444) 4.112 8.438 ( 46.129 21.969 -2.055) 51.134 10.641 ( 0.929 -4.955 0.974) 5.134 11.598 ( -23.976 10.483 1.094) 26.190 11.742 ( 4.404 1.864 -2.309) 5.310 11.883 ( 5.521 0.752 2.298) 6.028 14.890 ( 0.754 -3.655 -0.703) 3.798 18.395 ( -2.133 3.785 -3.074) 5.322 19.911 ( -2.873 -8.073 2.951) 9.063 ======================= Grid point 814 (317/580) ======================= q-point: ( 0.72 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 10.768 2.946 0.934) 11.202 2.216 ( -9.030 -4.457 -0.184) 10.072 3.131 ( -0.398 -7.473 1.572) 7.647 5.978 ( -1.759 0.511 -0.584) 1.923 9.449 ( 43.203 24.650 -1.282) 49.757 10.607 ( 2.326 -8.644 1.841) 9.139 11.126 ( -31.778 -4.947 -0.637) 32.167 11.806 ( 0.943 2.023 -0.045) 2.232 11.982 ( 3.629 0.392 0.165) 3.654 14.889 ( 1.200 -0.294 -0.061) 1.237 18.405 ( 0.019 3.138 -0.714) 3.218 19.805 ( -2.562 -4.759 0.704) 5.450 ======================= Grid point 815 (318/580) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 9.536 7.758 0.083) 12.294 2.014 ( -7.562 -6.329 -0.104) 9.862 3.106 ( 0.835 0.991 0.021) 1.296 5.969 ( 0.336 0.343 0.019) 0.481 10.342 ( -33.296 -11.112 1.713) 35.143 10.394 ( 39.929 12.996 -1.211) 42.008 10.644 ( -4.640 -0.640 -1.157) 4.825 11.813 ( -2.690 1.260 3.464) 4.564 12.002 ( 0.506 -2.856 -2.846) 4.063 14.915 ( 1.225 1.135 0.021) 1.670 18.453 ( 2.532 2.129 -0.001) 3.308 19.734 ( -1.946 -1.644 0.000) 2.547 ======================= Grid point 816 (319/580) ======================= q-point: (-0.17 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -7.167 -3.206 -2.172) 8.147 2.045 ( 10.452 5.474 1.710) 11.922 3.174 ( 2.196 6.312 1.984) 6.971 5.999 ( 3.161 -0.108 -0.581) 3.216 9.475 ( -37.067 -29.030 -1.059) 47.094 10.617 ( 1.680 -3.293 -0.322) 3.711 11.171 ( 20.928 29.135 -0.060) 35.872 11.762 ( -5.408 -1.012 7.064) 8.954 11.926 ( -1.923 -6.209 -5.837) 8.736 14.962 ( 3.404 1.020 -0.350) 3.570 18.526 ( 4.200 0.810 -1.614) 4.572 19.709 ( -0.578 1.025 1.441) 1.860 ======================= Grid point 817 (320/580) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -2.638 -5.289 -2.378) 6.371 2.279 ( 8.450 6.889 1.638) 11.024 3.311 ( 3.104 8.351 7.342) 11.544 6.074 ( 6.589 -0.848 -2.505) 7.100 8.513 ( -37.294 -31.318 -2.158) 48.748 10.609 ( 1.142 -3.528 -0.596) 3.756 11.616 ( -5.361 11.282 -4.932) 13.429 11.650 ( -4.518 3.591 8.653) 10.401 11.847 ( 1.199 4.209 -1.030) 4.496 15.069 ( 8.952 0.261 -1.819) 9.138 18.593 ( 4.339 -0.465 -5.138) 6.741 19.749 ( 1.922 2.699 4.884) 5.902 ======================= Grid point 828 (321/580) ======================= q-point: ( 0.50 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -0.000 -20.656 6.223) 21.573 2.747 ( -0.000 -1.412 2.309) 2.707 3.785 ( -0.000 -33.556 27.999) 43.703 5.884 ( 0.000 17.527 -3.744) 17.922 6.355 ( 0.000 -7.363 -14.498) 16.260 10.721 ( 0.000 6.629 -4.677) 8.113 11.114 ( 0.000 18.720 -3.254) 19.001 11.528 ( -0.000 -4.821 5.436) 7.266 11.979 ( 0.000 24.646 7.274) 25.697 15.076 ( 0.000 -6.366 -6.708) 9.248 18.516 ( 0.000 3.804 -8.914) 9.692 20.246 ( -0.000 -15.416 10.233) 18.503 ======================= Grid point 829 (322/580) ======================= q-point: ( 0.56 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 3.774 -18.625 7.328) 20.367 2.721 ( -2.099 -1.610 1.483) 3.033 3.521 ( -0.820 -32.302 21.041) 38.559 6.204 ( 12.592 10.524 -1.416) 16.471 6.260 ( 6.450 0.577 -10.530) 12.362 10.741 ( -2.940 5.185 -2.906) 6.632 11.279 ( 7.089 5.474 -5.649) 10.589 11.533 ( 3.952 -3.478 5.076) 7.313 12.238 ( -6.493 29.964 6.607) 31.363 14.976 ( -0.717 -8.333 -3.753) 9.167 18.518 ( -1.826 5.007 -7.385) 9.107 20.120 ( -1.194 -13.525 8.088) 15.804 ======================= Grid point 830 (323/580) ======================= q-point: ( 0.61 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 8.688 -12.161 7.285) 16.626 2.649 ( -4.801 -1.725 0.526) 5.128 3.276 ( -0.044 -25.331 14.068) 28.976 6.154 ( -3.493 0.047 -4.763) 5.907 6.868 ( 38.284 11.448 -1.796) 40.000 10.708 ( -3.996 1.801 -0.563) 4.419 11.438 ( 9.779 1.383 -7.442) 12.366 11.631 ( 7.624 -1.168 4.666) 9.015 12.339 ( -15.239 21.917 4.752) 27.113 14.880 ( -0.253 -6.655 -0.933) 6.724 18.506 ( -3.244 5.512 -5.006) 8.122 19.993 ( -1.765 -10.814 5.290) 12.167 ======================= Grid point 831 (324/580) ======================= q-point: ( 0.67 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 12.030 -4.123 6.058) 14.086 2.525 ( -7.532 -1.586 -0.392) 7.707 3.117 ( 1.095 -15.257 7.917) 17.224 6.087 ( -3.858 1.578 -2.121) 4.677 7.732 ( 48.885 8.785 -0.740) 49.674 10.646 ( -3.608 -0.592 0.942) 3.776 11.593 ( 9.443 0.456 -7.489) 12.061 11.779 ( 7.929 -0.460 3.543) 8.697 12.159 ( -24.247 8.613 3.175) 25.927 14.842 ( 0.987 -1.938 0.935) 2.368 18.486 ( -3.781 5.338 -1.988) 6.837 19.881 ( -1.808 -7.567 2.209) 8.087 ======================= Grid point 832 (325/580) ======================= q-point: (-0.28 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 13.036 1.202 4.782) 13.937 2.357 ( -9.731 -0.999 -1.248) 9.861 3.059 ( 1.953 -5.294 2.975) 6.379 6.037 ( -3.620 2.231 -0.424) 4.274 8.688 ( 53.023 2.595 -0.121) 53.086 10.588 ( -2.544 -0.424 1.618) 3.045 11.645 ( -18.990 -2.794 -3.264) 19.470 11.756 ( -2.826 -0.307 -2.547) 3.817 11.926 ( 2.680 0.608 3.922) 4.789 14.871 ( 1.393 1.784 1.433) 2.678 18.473 ( -3.159 4.657 0.871) 5.695 19.795 ( -1.534 -4.199 -0.477) 4.496 ======================= Grid point 833 (326/580) ======================= q-point: (-0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 12.449 1.880 4.341) 13.318 2.170 ( -10.668 1.233 -2.388) 11.002 3.091 ( 2.680 2.338 -0.247) 3.566 6.004 ( -2.773 2.332 0.490) 3.656 9.500 ( 42.935 -20.069 0.730) 47.400 10.591 ( 0.900 6.363 1.055) 6.512 11.107 ( -29.484 3.636 -0.290) 29.709 11.807 ( 3.773 -0.956 -3.933) 5.533 11.961 ( 0.220 -2.998 2.335) 3.807 14.920 ( 0.592 3.107 1.200) 3.383 18.479 ( -1.581 3.734 2.502) 4.765 19.742 ( -1.028 -1.141 -2.011) 2.530 ======================= Grid point 834 (327/580) ======================= q-point: (-0.17 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 3.587 -7.092 3.771) 8.797 2.069 ( -2.540 10.883 -2.928) 11.553 3.190 ( 3.596 6.805 -1.324) 7.810 5.993 ( -1.284 2.074 0.688) 2.534 9.463 ( -5.830 -47.204 1.261) 47.579 10.621 ( -4.151 -0.319 -1.048) 4.293 11.166 ( 15.450 32.655 0.905) 36.137 11.822 ( 0.950 -1.919 -2.517) 3.305 11.878 ( -4.537 -7.305 1.355) 8.706 14.956 ( -0.260 3.027 0.816) 3.146 18.508 ( 0.096 2.702 2.176) 3.471 19.726 ( -0.092 1.258 -1.865) 2.252 ======================= Grid point 835 (328/580) ======================= q-point: (-0.11 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -4.506 -7.805 -0.000) 9.012 2.241 ( 6.212 10.760 -0.000) 12.424 3.338 ( 4.755 8.235 -0.000) 9.510 6.008 ( 0.858 1.487 -0.000) 1.717 8.682 ( -25.737 -44.577 0.000) 51.473 10.578 ( -0.397 -0.688 0.000) 0.794 11.673 ( -7.143 -12.372 0.000) 14.286 11.754 ( 3.239 5.609 -0.000) 6.477 11.864 ( 13.304 23.043 -0.000) 26.608 14.986 ( 1.110 1.922 -0.000) 2.220 18.544 ( 0.962 1.666 0.000) 1.924 19.754 ( 1.529 2.649 -0.000) 3.059 ======================= Grid point 848 (329/580) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -0.000 -17.658 11.034) 20.822 2.730 ( -0.000 -1.339 1.129) 1.752 3.276 ( -0.000 -29.128 17.302) 33.879 6.141 ( 0.000 9.859 -2.095) 10.079 6.222 ( 0.000 -0.158 -5.563) 5.565 10.820 ( 0.000 5.725 -3.088) 6.504 11.225 ( 0.000 1.319 -5.512) 5.668 11.465 ( -0.000 -4.700 4.253) 6.339 12.609 ( 0.000 25.785 5.679) 26.403 14.889 ( -0.000 -7.819 -1.355) 7.936 18.569 ( 0.000 6.135 -5.891) 8.506 20.025 ( -0.000 -11.982 6.397) 13.583 ======================= Grid point 849 (330/580) ======================= q-point: ( 0.61 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 6.373 -10.683 12.882) 17.908 2.699 ( -2.446 -1.175 0.470) 2.754 3.077 ( 0.831 -20.798 12.486) 24.273 6.199 ( -1.959 2.123 -3.145) 4.270 6.415 ( 22.133 6.333 -0.403) 23.024 10.815 ( -4.899 3.612 -1.063) 6.179 11.276 ( 6.629 0.669 -7.354) 9.923 11.491 ( 6.439 -3.621 3.680) 8.253 12.746 ( -8.789 12.146 3.966) 15.508 14.831 ( -0.079 -2.712 1.443) 3.073 18.600 ( -2.016 6.669 -3.600) 7.842 19.926 ( -0.716 -9.593 3.894) 10.378 ======================= Grid point 850 (331/580) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 11.090 -1.438 10.994) 15.682 2.624 ( -5.173 -0.733 -0.472) 5.246 2.980 ( 2.276 -10.571 7.291) 13.042 6.174 ( -3.555 3.807 -1.080) 5.320 7.005 ( 39.428 2.444 0.652) 39.509 10.739 ( -5.958 1.343 0.844) 6.165 11.400 ( 9.455 0.514 -8.610) 12.798 11.621 ( 9.712 -2.110 3.059) 10.398 12.568 ( -17.293 -3.643 2.371) 17.831 14.847 ( -0.105 4.058 3.507) 5.365 18.609 ( -3.703 6.537 -0.485) 7.529 19.838 ( -0.897 -6.536 0.764) 6.642 ======================= Grid point 851 (332/580) ======================= q-point: (-0.28 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 12.360 3.676 8.267) 15.317 2.504 ( -7.792 0.177 -1.429) 7.924 2.984 ( 3.327 -1.916 2.175) 4.412 6.145 ( -4.631 4.881 0.403) 6.740 7.783 ( 48.789 -3.885 1.294) 48.961 10.662 ( -4.417 1.450 1.550) 4.900 11.536 ( 8.912 -1.097 -8.235) 12.183 11.770 ( 7.312 -2.183 2.313) 7.974 12.136 ( -21.336 -12.377 1.630) 24.720 14.914 ( -0.722 7.485 3.998) 8.516 18.602 ( -4.593 5.855 2.869) 7.975 19.772 ( -0.689 -3.223 -2.390) 4.072 ======================= Grid point 852 (333/580) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 11.398 4.236 6.495) 13.786 2.356 ( -9.365 2.074 -2.390) 9.885 3.059 ( 4.005 3.761 -2.298) 5.955 6.115 ( -5.077 5.433 1.466) 7.579 8.537 ( 45.986 -17.317 1.902) 49.175 10.647 ( -0.763 4.757 1.183) 4.961 11.480 ( -15.561 -12.732 -0.898) 20.126 11.700 ( 1.273 -1.947 -5.994) 6.430 11.918 ( 2.861 -3.661 3.020) 5.541 14.987 ( -1.555 8.131 3.418) 8.956 18.591 ( -4.415 4.995 5.397) 8.578 19.735 ( -0.281 -0.238 -4.722) 4.736 ======================= Grid point 853 (334/580) ======================= q-point: (-0.17 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 6.594 -0.047 5.331) 8.479 2.237 ( -6.829 6.754 -3.140) 10.105 3.175 ( 4.695 6.506 -5.578) 9.772 6.089 ( -4.853 5.562 2.192) 7.700 8.876 ( 20.628 -38.990 2.666) 44.191 10.696 ( -3.090 2.237 -0.395) 3.835 11.220 ( 3.066 4.631 1.270) 5.697 11.718 ( 3.368 -3.655 -7.946) 9.373 11.900 ( -1.719 -5.152 4.207) 6.870 15.042 ( -2.711 8.112 2.571) 8.931 18.587 ( -3.480 4.224 6.212) 8.279 19.727 ( 0.343 1.931 -5.604) 5.937 ======================= Grid point 867 (335/580) ======================= q-point: (-0.39 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -0.000 -3.630 16.991) 17.374 2.711 ( -0.000 -0.939 0.279) 0.980 2.933 ( -0.000 -12.717 8.995) 15.576 6.248 ( 0.000 1.580 -0.668) 1.715 6.259 ( 0.000 5.522 0.276) 5.529 10.908 ( 0.000 4.344 -0.888) 4.434 11.194 ( 0.000 0.312 -7.117) 7.124 11.394 ( -0.000 -4.525 2.290) 5.072 12.873 ( -0.000 -5.044 2.379) 5.577 14.855 ( -0.000 5.606 4.475) 7.173 18.680 ( 0.000 7.294 -1.452) 7.437 19.854 ( -0.000 -7.581 1.606) 7.749 ======================= Grid point 868 (336/580) ======================= q-point: (-0.33 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 6.556 4.720 15.120) 17.143 2.682 ( -2.448 -0.557 -0.355) 2.535 2.887 ( 1.773 -4.122 4.177) 6.131 6.269 ( -1.138 4.633 -0.128) 4.773 6.481 ( 20.764 1.017 2.438) 20.931 10.872 ( -6.651 2.001 1.023) 7.020 11.239 ( 6.442 1.030 -8.874) 11.014 11.437 ( 8.387 -3.496 1.632) 9.232 12.673 ( -8.049 -20.317 1.154) 21.884 14.958 ( -1.131 11.953 6.688) 13.744 18.734 ( -2.267 7.219 1.676) 7.750 19.789 ( -0.263 -4.804 -1.592) 5.068 ======================= Grid point 869 (337/580) ======================= q-point: (-0.28 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 9.298 8.398 11.294) 16.868 2.614 ( -4.946 0.259 -1.275) 5.114 2.927 ( 3.209 1.743 -1.123) 3.821 6.288 ( -3.648 6.997 1.253) 7.990 6.985 ( 36.806 -4.698 2.976) 37.224 10.772 ( -6.083 0.925 1.770) 6.402 11.347 ( 8.207 -0.375 -9.037) 12.213 11.589 ( 10.944 -2.559 1.269) 11.311 12.238 ( -13.182 -27.741 0.552) 30.718 15.075 ( -3.081 13.467 7.320) 15.635 18.757 ( -4.251 6.470 5.436) 9.459 19.742 ( -0.132 -1.580 -5.239) 5.474 ======================= Grid point 870 (338/580) ======================= q-point: (-0.22 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 9.223 8.430 8.563) 15.148 2.511 ( -7.035 1.621 -2.209) 7.550 3.014 ( 4.336 4.422 -6.237) 8.789 6.290 ( -5.638 8.375 2.439) 10.386 7.610 ( 42.133 -13.847 3.177) 44.463 10.717 ( -2.267 2.535 1.539) 3.733 11.397 ( 2.825 -11.965 -5.906) 13.639 11.702 ( -3.112 -8.756 0.101) 9.293 11.790 ( 2.050 -13.644 -0.735) 13.816 15.164 ( -4.471 12.902 6.694) 15.207 18.755 ( -5.408 5.531 8.745) 11.676 19.719 ( 0.163 1.381 -8.357) 8.472 ======================= Grid point 871 (339/580) ======================= q-point: (-0.17 -0.39 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 6.319 5.805 6.802) 10.950 2.404 ( -6.943 4.219 -3.094) 8.693 3.118 ( 5.403 4.806 -10.567) 12.805 6.278 ( -6.786 8.933 3.419) 11.728 8.078 ( 31.332 -28.453 3.515) 42.469 10.764 ( 0.417 5.539 0.764) 5.606 11.109 ( -1.347 -23.992 0.281) 24.032 11.613 ( 2.259 -2.218 -7.304) 7.961 11.834 ( 4.081 -5.991 1.912) 7.497 15.228 ( -5.010 12.622 5.353) 14.597 18.743 ( -5.594 4.917 10.525) 12.894 19.719 ( 0.523 3.363 -10.103) 10.661 ======================= Grid point 886 (340/580) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -0.000 10.506 15.192) 18.471 2.695 ( 0.000 -0.697 -0.368) 0.788 2.866 ( 0.000 1.679 -0.920) 1.915 6.193 ( -0.000 -6.890 0.163) 6.892 6.455 ( 0.000 12.873 4.662) 13.691 10.980 ( -0.000 2.067 2.948) 3.600 11.145 ( 0.000 -0.565 -9.012) 9.030 11.317 ( -0.000 -3.292 -1.293) 3.537 12.472 ( -0.000 -32.240 0.443) 32.243 15.141 ( -0.000 15.697 9.120) 18.154 18.837 ( -0.000 7.126 4.887) 8.641 19.744 ( 0.000 -2.231 -5.041) 5.512 ======================= Grid point 887 (341/580) ======================= q-point: (-0.28 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 4.493 12.560 12.636) 18.374 2.670 ( -2.017 -0.414 -0.915) 2.253 2.902 ( 1.733 4.205 -6.502) 7.935 6.237 ( 12.682 -9.110 -0.251) 15.617 6.646 ( 4.726 14.194 6.826) 16.444 10.895 ( -7.503 -1.720 2.019) 7.958 11.189 ( 6.453 -1.620 -7.986) 10.395 11.372 ( 9.405 -3.007 -1.742) 10.027 12.073 ( -5.569 -35.362 0.149) 35.798 15.308 ( -2.737 15.371 10.234) 18.668 18.905 ( -2.532 6.146 9.033) 11.215 19.715 ( 0.072 1.030 -9.290) 9.347 ======================= Grid point 888 (342/580) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 6.142 11.987 10.200) 16.895 2.612 ( -4.034 0.452 -1.816) 4.447 2.958 ( 3.379 3.743 -11.617) 12.664 6.371 ( 8.732 -4.193 0.479) 9.698 6.970 ( 18.391 5.016 7.066) 20.330 10.763 ( -3.185 -5.870 0.262) 6.683 11.194 ( 2.397 -15.507 -3.417) 16.059 11.522 ( 11.682 -5.139 -2.272) 12.963 11.663 ( -5.130 -18.363 -1.781) 19.149 15.417 ( -5.178 13.898 10.046) 17.913 18.933 ( -4.610 4.875 12.968) 14.601 19.707 ( 0.211 4.160 -13.199) 13.841 ======================= Grid point 889 (343/580) ======================= q-point: (-0.17 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 5.191 9.998 8.427) 14.068 2.533 ( -5.262 2.012 -2.992) 6.379 3.015 ( 5.163 1.838 -15.771) 16.696 6.442 ( 1.045 0.905 2.316) 2.698 7.363 ( 23.904 -8.996 5.950) 26.225 10.666 ( 7.235 -22.229 -2.085) 23.470 10.932 ( -7.023 -15.061 3.026) 16.891 11.536 ( 2.070 -1.941 -7.155) 7.698 11.672 ( 7.878 -4.406 0.116) 9.027 15.483 ( -6.075 13.243 8.672) 16.955 18.934 ( -5.760 4.218 15.389) 16.965 19.716 ( 0.227 6.088 -15.630) 16.776 ======================= Grid point 905 (344/580) ======================= q-point: (-0.28 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -0.000 14.070 12.184) 18.612 2.675 ( 0.000 -1.122 -0.856) 1.411 2.900 ( 0.000 4.067 -12.329) 12.982 5.975 ( -0.000 -14.831 0.226) 14.832 6.844 ( 0.000 21.694 7.895) 23.086 10.954 ( 0.000 -18.292 -10.127) 20.908 11.016 ( -0.000 -3.005 9.124) 9.606 11.262 ( 0.000 1.299 -7.151) 7.268 11.781 ( -0.000 -29.141 -0.625) 29.147 15.519 ( -0.000 14.070 12.117) 18.568 19.019 ( -0.000 4.598 13.652) 14.406 19.703 ( 0.000 4.668 -14.312) 15.054 ======================= Grid point 906 (345/580) ======================= q-point: (-0.22 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 2.861 13.291 11.065) 17.529 2.648 ( -1.221 -1.226 -1.306) 2.168 2.895 ( 1.600 1.739 -17.294) 17.455 5.951 ( 15.393 -18.472 -0.127) 24.045 7.090 ( -1.533 23.860 8.819) 25.483 10.607 ( -1.773 -36.025 -6.363) 36.626 11.030 ( 1.599 -9.261 8.163) 12.448 11.318 ( 6.301 1.960 -7.536) 10.017 11.561 ( -0.677 -9.640 -3.292) 10.209 15.662 ( -3.243 12.014 12.728) 17.801 19.085 ( -2.441 2.560 17.829) 18.176 19.715 ( -0.065 8.385 -18.765) 20.553 ======================= Grid point 907 (346/580) ======================= q-point: (-0.17 -0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 3.833 11.406 9.985) 15.636 2.600 ( -2.511 -0.464 -2.581) 3.631 2.879 ( 3.657 -1.413 -20.689) 21.057 6.084 ( 21.339 -21.776 -0.063) 30.488 7.319 ( -1.859 21.582 8.903) 23.421 10.174 ( 4.424 -48.571 -4.421) 48.972 10.959 ( -2.854 -4.681 6.496) 8.500 11.431 ( 6.379 0.995 -7.362) 9.792 11.531 ( 3.463 -1.445 -2.877) 4.728 15.740 ( -5.244 10.850 11.854) 16.904 19.109 ( -3.981 1.503 20.010) 20.457 19.740 ( -0.637 10.566 -21.179) 23.677 ======================= Grid point 924 (347/580) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -0.000 12.154 11.270) 16.575 2.631 ( -0.000 -2.870 -1.145) 3.090 2.821 ( 0.000 -0.981 -21.887) 21.909 5.612 ( -0.000 -20.946 -0.300) 20.948 7.402 ( 0.000 27.192 9.376) 28.763 10.128 ( -0.000 -53.246 -7.050) 53.711 10.971 ( -0.000 -7.361 10.281) 12.644 11.287 ( 0.000 5.720 -8.091) 9.909 11.490 ( 0.000 -2.226 -5.496) 5.930 15.843 ( -0.000 9.448 14.301) 17.140 19.180 ( -0.000 -0.408 20.884) 20.888 19.755 ( 0.000 12.840 -22.456) 25.867 ======================= Grid point 925 (348/580) ======================= q-point: (-0.17 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 2.272 9.344 11.092) 14.680 2.593 ( 0.040 -3.604 -1.700) 3.985 2.734 ( 1.443 -3.547 -24.723) 25.018 5.520 ( 14.255 -23.691 -0.540) 27.655 7.668 ( -3.979 25.886 9.935) 28.011 9.559 ( 2.135 -57.264 -6.610) 57.684 10.942 ( 1.103 -6.718 8.489) 10.881 11.349 ( 3.140 5.232 -6.967) 9.261 11.480 ( 1.193 1.183 -5.825) 6.063 15.948 ( -2.920 7.661 14.311) 16.493 19.221 ( -1.430 -1.877 20.541) 20.676 19.815 ( -1.199 15.239 -22.672) 27.344 ======================= Grid point 943 (349/580) ======================= q-point: (-0.17 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -0.000 3.648 10.896) 11.490 2.530 ( -0.000 -6.894 -1.065) 6.976 2.602 ( 0.000 -3.291 -26.150) 26.357 5.155 ( -0.000 -23.451 -1.113) 23.477 7.957 ( -0.000 13.058 13.128) 18.517 8.962 ( -0.000 -48.643 -10.680) 49.802 10.877 ( -0.000 -7.455 7.456) 10.544 11.365 ( 0.000 6.151 -5.372) 8.167 11.470 ( 0.000 2.906 -6.754) 7.352 16.086 ( -0.000 5.174 15.361) 16.209 19.265 ( -0.000 -3.252 16.348) 16.668 19.924 ( 0.000 17.298 -19.330) 25.940 ======================= Grid point 1040 (350/580) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.000 0.000 19.988) 19.988 0.584 ( -0.000 0.000 19.988) 19.988 2.692 ( -0.000 0.000 89.541) 89.541 3.805 ( 0.000 -0.000 -11.310) 11.310 3.805 ( 0.000 -0.000 -11.310) 11.310 10.402 ( 0.000 -0.000 -9.065) 9.065 10.402 ( 0.000 -0.000 -9.065) 9.065 10.603 ( 0.000 -0.000 -27.612) 27.612 11.797 ( -0.000 0.000 8.247) 8.247 11.797 ( -0.000 0.000 8.247) 8.247 20.923 ( -0.000 0.000 0.646) 0.646 22.264 ( -0.000 0.000 1.742) 1.742 ======================= Grid point 1041 (351/580) ======================= q-point: ( 0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 25.377 14.652 15.389) 33.098 1.346 ( 38.130 22.014 14.431) 46.334 3.059 ( 6.118 3.532 83.382) 83.680 3.764 ( 1.226 0.708 -12.946) 13.023 3.964 ( 17.024 9.829 -12.219) 23.146 9.886 ( -14.054 -8.114 -11.763) 20.043 10.395 ( 1.539 0.888 -9.221) 9.391 11.617 ( 11.105 6.411 -8.914) 15.616 11.807 ( -1.290 -0.745 8.354) 8.486 12.436 ( 77.860 44.952 -58.097) 107.043 20.651 ( -23.873 -13.783 3.476) 27.784 21.828 ( -25.208 -14.554 25.685) 38.820 ======================= Grid point 1042 (352/580) ======================= q-point: ( 0.28 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 26.381 15.231 14.588) 33.775 2.056 ( 17.396 10.043 17.110) 26.386 3.424 ( 3.567 2.060 64.616) 64.747 3.788 ( 5.179 2.990 -14.563) 15.743 4.649 ( 44.987 25.973 -4.305) 52.125 9.501 ( -16.585 -9.575 -14.632) 24.101 10.413 ( 2.637 1.522 -9.239) 9.727 11.663 ( -1.380 -0.797 4.620) 4.887 11.793 ( -2.159 -1.247 8.233) 8.603 13.853 ( 58.090 33.538 -70.481) 97.298 20.013 ( -28.715 -16.579 7.847) 34.074 21.481 ( -14.628 -8.446 27.181) 32.002 ======================= Grid point 1043 (353/580) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 19.044 10.995 14.738) 26.473 2.305 ( 1.589 0.917 11.590) 11.734 3.696 ( 3.450 1.992 58.594) 58.730 3.938 ( 12.741 7.356 -14.965) 20.985 5.872 ( 58.081 33.533 -2.074) 67.099 9.014 ( -20.938 -12.088 -15.297) 28.610 10.456 ( 3.661 2.114 -9.111) 10.044 11.628 ( -2.957 -1.707 6.841) 7.646 11.763 ( -2.726 -1.574 7.956) 8.556 14.718 ( 35.947 20.754 -53.360) 67.603 19.451 ( -21.134 -12.202 2.166) 24.499 21.250 ( -13.191 -7.616 23.715) 28.186 ======================= Grid point 1044 (354/580) ======================= q-point: ( 0.39 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -6.367 -3.676 4.580) 8.662 2.635 ( 8.342 4.816 11.531) 15.025 3.974 ( 3.907 2.256 56.558) 56.738 4.296 ( 21.522 12.426 -11.600) 27.425 7.170 ( 50.088 28.918 -9.723) 58.648 8.495 ( -15.762 -9.100 -9.312) 20.445 10.520 ( 4.297 2.481 -8.750) 10.059 11.581 ( -2.881 -1.663 7.743) 8.427 11.723 ( -2.808 -1.621 7.495) 8.166 15.222 ( 21.263 12.276 -37.564) 44.876 19.041 ( -14.188 -8.192 -4.666) 17.035 21.017 ( -13.248 -7.649 20.447) 25.536 ======================= Grid point 1045 (355/580) ======================= q-point: ( 0.44 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -10.357 -5.980 0.373) 11.966 2.773 ( 1.862 1.075 6.915) 7.241 4.224 ( 1.943 1.122 50.744) 50.794 4.811 ( 24.436 14.108 -6.909) 29.049 7.446 ( -17.024 -9.829 -28.813) 34.880 8.874 ( 44.296 25.574 8.285) 51.815 10.592 ( 4.231 2.443 -7.899) 9.288 11.567 ( 0.247 0.143 7.739) 7.745 11.686 ( -2.337 -1.349 6.605) 7.135 15.475 ( 9.807 5.662 -26.096) 28.447 18.755 ( -8.822 -5.094 -8.598) 13.331 20.775 ( -12.799 -7.389 16.814) 22.386 ======================= Grid point 1046 (356/580) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -11.856 -6.845 -2.064) 13.845 2.799 ( -0.625 -0.361 3.696) 3.766 4.364 ( -3.433 -1.982 39.896) 40.093 5.338 ( 21.957 12.677 -3.722) 25.626 6.854 ( -21.872 -12.628 -26.033) 36.271 9.902 ( 36.804 21.249 7.425) 43.142 10.660 ( 3.561 2.056 -6.247) 7.478 11.659 ( -1.641 -0.948 4.934) 5.286 11.703 ( 11.487 6.632 6.087) 14.594 15.512 ( -0.169 -0.098 -18.298) 18.299 18.573 ( -4.410 -2.546 -9.056) 10.390 20.539 ( -11.700 -6.755 12.578) 18.458 ======================= Grid point 1047 (357/580) ======================= q-point: ( 0.56 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -10.811 -6.242 -3.789) 13.046 2.782 ( -1.365 -0.788 1.714) 2.328 4.287 ( -12.353 -7.132 20.857) 25.269 5.779 ( 16.586 9.576 -1.755) 19.232 6.368 ( -12.565 -7.254 -17.457) 22.699 10.504 ( 13.406 7.740 9.233) 18.024 10.717 ( 2.919 1.685 -3.807) 5.085 11.637 ( -1.436 -0.829 2.435) 2.946 12.194 ( 28.260 16.316 2.204) 32.706 15.360 ( -8.006 -4.622 -12.772) 15.766 18.491 ( -0.455 -0.263 -6.841) 6.861 20.318 ( -10.248 -5.917 7.864) 14.208 ======================= Grid point 1048 (358/580) ======================= q-point: ( 0.61 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -6.462 -3.731 -5.351) 9.182 2.753 ( -1.367 -0.789 0.476) 1.649 3.948 ( -18.278 -10.553 -1.715) 21.175 6.082 ( 9.621 5.555 -0.396) 11.116 6.180 ( -0.984 -0.568 -5.372) 5.491 10.698 ( 2.938 1.696 10.438) 10.976 10.775 ( 2.901 1.675 -1.036) 3.507 11.600 ( -2.210 -1.276 -0.473) 2.595 12.846 ( 23.464 13.547 -1.932) 27.163 15.111 ( -8.534 -4.927 -7.874) 12.614 18.507 ( 3.248 1.875 -3.167) 4.909 20.116 ( -8.793 -5.077 3.023) 10.594 ======================= Grid point 1049 (359/580) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.996 0.575 -6.833) 6.929 2.725 ( -1.113 -0.643 -0.273) 1.314 3.503 ( -16.489 -9.520 -15.448) 24.519 6.216 ( 1.865 1.077 0.656) 2.252 6.253 ( 7.432 4.291 0.644) 8.606 10.769 ( 0.634 0.366 11.141) 11.165 10.850 ( 3.534 2.040 1.567) 4.371 11.526 ( -3.751 -2.165 -3.282) 5.434 13.067 ( -5.855 -3.380 -6.134) 9.129 15.050 ( 6.997 4.040 -3.534) 8.818 18.620 ( 6.876 3.970 0.992) 8.002 19.930 ( -7.574 -4.373 -1.539) 8.880 ======================= Grid point 1050 (360/580) ======================= q-point: (-0.28 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 8.171 4.717 -8.394) 12.628 2.700 ( -0.973 -0.562 -0.632) 1.289 3.119 ( -11.841 -6.837 -17.329) 22.074 6.172 ( -5.924 -3.420 1.477) 6.998 6.514 ( 14.729 8.504 1.048) 17.040 10.806 ( -1.103 -0.637 12.075) 12.142 10.951 ( 4.407 2.544 3.777) 6.337 11.405 ( -5.388 -3.111 -5.721) 8.452 12.594 ( -29.643 -17.115 -6.967) 34.931 15.350 ( 16.792 9.695 -3.613) 19.724 18.831 ( 10.485 6.053 4.862) 13.046 19.754 ( -6.682 -3.858 -5.355) 9.392 ======================= Grid point 1051 (361/580) ======================= q-point: (-0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 11.592 6.692 -11.051) 17.357 2.672 ( -1.351 -0.780 -0.608) 1.674 2.840 ( -8.828 -5.097 -7.839) 12.859 5.957 ( -12.900 -7.448 1.998) 15.029 6.935 ( 21.373 12.340 -1.187) 24.708 10.724 ( -13.357 -7.712 12.503) 19.854 11.076 ( 4.855 2.803 6.137) 8.312 11.245 ( -6.265 -3.617 -8.264) 10.983 11.829 ( -29.484 -17.023 -5.249) 34.447 15.707 ( 14.529 8.388 -6.175) 17.877 19.132 ( 13.626 7.867 6.662) 17.086 19.585 ( -6.050 -3.493 -6.895) 9.815 ======================= Grid point 1052 (362/580) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 10.151 5.861 -14.879) 18.941 2.626 ( -2.768 -1.598 -0.114) 3.199 2.658 ( -7.010 -4.047 10.411) 13.187 5.601 ( -18.077 -10.437 2.001) 20.969 7.472 ( 25.084 14.482 -4.798) 29.359 10.058 ( -45.189 -26.090 7.365) 52.697 11.057 ( -7.049 -4.070 -5.664) 9.916 11.222 ( 5.612 3.240 3.476) 7.354 11.448 ( -4.177 -2.412 2.846) 5.601 15.962 ( 9.604 5.545 -9.643) 14.696 19.391 ( -0.008 -0.005 -21.943) 21.943 19.534 ( 10.219 5.900 22.352) 25.276 ======================= Grid point 1059 (363/580) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -0.000 27.483 15.694) 31.648 1.419 ( 0.000 44.901 15.821) 47.606 3.330 ( -0.000 4.972 80.954) 81.106 3.785 ( 0.000 4.661 -12.925) 13.740 3.861 ( 0.000 17.236 -12.056) 21.034 9.889 ( 0.000 -13.096 -14.631) 19.636 10.345 ( 0.000 0.868 -9.042) 9.084 11.667 ( 0.000 28.027 -14.854) 31.720 11.842 ( -0.000 -1.211 8.103) 8.193 12.171 ( 0.000 69.155 -43.769) 81.842 20.658 ( -0.000 -26.947 2.699) 27.082 21.898 ( -0.000 -26.687 21.548) 34.300 ======================= Grid point 1060 (364/580) ======================= q-point: ( 0.28 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 17.451 25.712 14.991) 34.502 1.996 ( 12.255 23.557 17.831) 31.985 3.610 ( 1.437 1.867 57.957) 58.005 3.771 ( -1.153 8.487 -13.706) 16.162 4.334 ( 25.127 35.017 2.579) 43.176 9.588 ( -11.855 -12.327 -16.980) 24.100 10.362 ( 2.728 2.202 -9.136) 9.786 11.736 ( -3.796 3.894 4.244) 6.898 11.839 ( -1.374 -1.467 8.095) 8.341 13.188 ( 41.812 62.510 -66.960) 100.694 20.206 ( -16.526 -30.343 5.875) 35.047 21.653 ( -8.767 -16.643 24.677) 31.029 ======================= Grid point 1061 (365/580) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 17.394 18.153 15.316) 29.439 2.319 ( 3.697 3.941 14.586) 15.555 3.841 ( 3.907 5.084 36.966) 37.518 3.861 ( 3.649 11.299 1.276) 11.942 5.367 ( 43.378 44.129 3.498) 61.978 9.145 ( -16.464 -14.869 -17.783) 28.432 10.412 ( 2.641 4.253 -9.073) 10.363 11.703 ( -4.061 0.252 6.763) 7.893 11.818 ( -2.337 -1.467 7.839) 8.311 14.174 ( 36.394 37.322 -56.709) 77.028 19.637 ( -18.167 -22.951 3.517) 29.482 21.428 ( -9.822 -12.607 22.714) 27.772 ======================= Grid point 1062 (366/580) ======================= q-point: ( 0.39 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -3.536 -4.732 7.261) 9.360 2.583 ( 9.505 8.178 13.460) 18.395 4.105 ( 4.013 1.355 54.378) 54.543 4.147 ( 12.691 23.335 -12.475) 29.347 6.619 ( 48.038 39.760 -2.863) 62.423 8.634 ( -17.260 -13.842 -15.173) 26.827 10.479 ( 2.603 5.701 -8.678) 10.704 11.652 ( -3.916 -1.093 7.695) 8.703 11.782 ( -2.888 -1.460 7.255) 7.944 14.839 ( 25.690 21.326 -41.805) 53.502 19.165 ( -14.219 -15.336 -2.319) 21.042 21.197 ( -10.882 -11.752 19.899) 25.544 ======================= Grid point 1063 (367/580) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -8.209 -7.376 2.317) 11.276 2.762 ( 3.071 0.801 8.327) 8.911 4.348 ( 3.045 -1.045 51.837) 51.936 4.647 ( 17.094 28.528 -7.670) 34.131 7.414 ( 5.261 0.860 -26.044) 26.584 8.528 ( 23.088 19.797 5.301) 30.872 10.557 ( 2.508 6.421 -7.944) 10.518 11.606 ( -2.464 -1.185 7.872) 8.333 11.741 ( -2.783 -1.026 6.335) 6.995 15.237 ( 15.559 10.471 -29.417) 34.887 18.819 ( -9.622 -9.566 -6.922) 15.232 20.948 ( -11.335 -11.201 16.679) 23.068 ======================= Grid point 1064 (368/580) ======================= q-point: ( 0.50 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -10.839 -7.738 -0.841) 13.344 2.799 ( 0.426 -2.238 4.507) 5.050 4.501 ( -0.834 -5.296 43.896) 44.222 5.208 ( 15.824 28.264 -3.939) 32.631 6.997 ( -19.428 -13.691 -29.222) 37.667 9.497 ( 40.774 29.626 8.427) 51.101 10.640 ( 2.142 6.914 -6.757) 9.902 11.622 ( 3.266 0.092 6.937) 7.668 11.712 ( -1.996 0.410 4.907) 5.313 15.405 ( 6.013 2.313 -20.510) 21.498 18.590 ( -5.300 -5.321 -8.573) 11.398 20.693 ( -10.996 -10.341 12.935) 19.879 ======================= Grid point 1065 (369/580) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -11.568 -6.526 -3.083) 13.635 2.780 ( -0.266 -3.424 2.249) 4.105 4.458 ( -8.956 -11.771 27.741) 31.438 5.702 ( 11.282 23.621 -1.898) 26.246 6.490 ( -15.347 -4.997 -22.137) 27.396 10.333 ( 22.140 15.057 9.067) 28.268 10.732 ( 1.626 9.113 -4.401) 10.250 11.675 ( -1.590 0.230 3.347) 3.713 11.885 ( 20.253 7.609 3.125) 21.859 15.366 ( -2.669 -3.727 -14.325) 15.040 18.471 ( -1.235 -2.104 -7.390) 7.782 20.447 ( -10.086 -9.177 8.722) 16.187 ======================= Grid point 1066 (370/580) ======================= q-point: ( 0.61 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -9.684 -3.619 -5.068) 11.514 2.744 ( -0.138 -3.827 0.910) 3.936 4.132 ( -17.256 -16.083 4.647) 24.043 6.007 ( 5.050 7.099 -1.910) 8.919 6.307 ( -5.490 16.286 -7.643) 18.809 10.644 ( 6.217 1.437 6.568) 9.157 10.842 ( -0.915 10.509 1.908) 10.719 11.649 ( -3.045 1.308 0.846) 3.421 12.470 ( 31.128 9.596 -0.988) 32.589 15.172 ( -7.831 -6.340 -9.556) 13.887 18.455 ( 2.599 0.454 -4.396) 5.127 20.218 ( -8.948 -7.887 4.333) 12.690 ======================= Grid point 1067 (371/580) ======================= q-point: ( 0.67 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -4.388 0.938 -7.089) 8.390 2.709 ( 0.294 -3.795 0.133) 3.808 3.645 ( -18.047 -13.752 -11.702) 25.529 6.105 ( 5.741 0.408 0.794) 5.810 6.435 ( -5.788 23.348 -1.280) 24.089 10.742 ( 3.821 -1.190 6.204) 7.383 10.916 ( -2.335 8.705 4.689) 10.160 11.596 ( -4.981 1.932 -1.394) 5.522 12.941 ( 14.488 -2.587 -4.744) 15.463 14.998 ( -1.117 -1.553 -5.324) 5.658 18.539 ( 6.263 2.608 -0.772) 6.828 20.007 ( -7.872 -6.652 0.240) 10.308 ======================= Grid point 1068 (372/580) ======================= q-point: (-0.28 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 2.968 5.594 -9.093) 11.081 2.680 ( 0.665 -3.492 -0.221) 3.561 3.209 ( -13.396 -8.136 -16.216) 22.552 6.234 ( 5.180 2.128 2.043) 5.961 6.527 ( -6.320 19.696 -0.358) 20.688 10.806 ( 2.951 -2.561 7.791) 8.716 10.984 ( -0.881 7.941 4.720) 9.280 11.504 ( -7.400 2.667 -2.860) 8.370 12.793 ( -15.397 -18.648 -6.400) 25.016 15.136 ( 14.400 5.931 -4.049) 16.091 18.718 ( 9.899 4.468 2.362) 11.115 19.812 ( -7.006 -5.538 -2.846) 9.373 ======================= Grid point 1069 (373/580) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 8.448 8.124 -11.292) 16.275 2.659 ( 0.586 -3.015 -0.031) 3.071 2.921 ( -8.522 -3.335 -9.059) 12.877 6.217 ( -13.543 6.134 1.771) 14.973 6.731 ( 12.297 13.000 -1.644) 17.969 10.822 ( -1.555 -5.084 9.316) 10.726 11.077 ( 1.473 6.564 3.403) 7.539 11.376 ( -10.147 3.622 -2.588) 11.081 12.131 ( -29.338 -23.753 -5.419) 38.135 15.477 ( 17.468 5.899 -6.221) 19.458 18.981 ( 13.144 5.660 2.688) 14.561 19.637 ( -6.151 -4.277 -2.874) 8.024 ======================= Grid point 1070 (374/580) ======================= q-point: (-0.17 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 9.799 8.215 -13.346) 18.483 2.636 ( -0.432 -2.381 1.116) 2.665 2.774 ( -5.862 -1.097 6.683) 8.957 5.943 ( -23.496 4.127 1.446) 23.899 7.158 ( 22.756 11.385 -4.864) 25.906 10.534 ( -30.098 -17.760 8.349) 35.931 11.117 ( -5.061 -3.396 -9.325) 11.140 11.242 ( -3.609 6.416 7.898) 10.797 11.543 ( -11.041 -7.101 0.173) 13.129 15.773 ( 13.652 3.461 -9.521) 17.000 19.247 ( 9.817 2.447 -13.096) 16.549 19.546 ( 0.468 0.700 13.465) 13.491 ======================= Grid point 1078 (375/580) ======================= q-point: ( 0.28 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -0.000 28.157 14.975) 31.891 2.188 ( -0.000 17.185 18.849) 25.507 3.780 ( -0.000 3.560 42.279) 42.428 3.836 ( 0.000 9.993 -14.691) 17.767 4.565 ( 0.000 48.513 15.839) 51.033 9.505 ( 0.000 -15.035 -19.872) 24.919 10.321 ( 0.000 2.458 -8.414) 8.766 11.834 ( -0.000 1.444 7.561) 7.697 11.853 ( -0.000 -2.840 7.395) 7.922 13.300 ( 0.000 69.165 -64.180) 94.355 20.026 ( -0.000 -34.939 5.291) 35.337 21.624 ( -0.000 -17.681 22.852) 28.893 ======================= Grid point 1079 (376/580) ======================= q-point: ( 0.33 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 10.924 21.006 15.013) 28.035 2.360 ( 1.406 2.029 15.527) 15.722 3.919 ( 1.782 16.995 -14.619) 22.488 3.986 ( 2.473 3.684 44.922) 45.140 5.328 ( 20.563 54.857 10.813) 59.574 9.172 ( -11.113 -16.364 -20.408) 28.421 10.364 ( 3.909 3.698 -8.441) 10.010 11.801 ( -4.007 -1.382 6.951) 8.141 11.860 ( -1.118 -1.361 7.899) 8.093 13.927 ( 20.139 50.347 -54.733) 77.046 19.619 ( -9.000 -29.585 3.073) 31.076 21.482 ( -4.756 -15.969 21.146) 26.922 ======================= Grid point 1080 (377/580) ======================= q-point: ( 0.39 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -1.738 -6.203 9.002) 11.070 2.558 ( 8.639 9.247 13.647) 18.611 4.182 ( 8.620 24.998 -9.133) 27.975 4.227 ( 3.989 4.010 46.737) 47.078 6.354 ( 32.070 48.888 1.723) 58.493 8.715 ( -14.518 -14.124 -17.760) 26.938 10.455 ( 4.059 5.533 -8.305) 10.774 11.737 ( -4.092 -1.640 6.945) 8.226 11.837 ( -2.435 -1.704 7.185) 7.776 14.546 ( 21.077 31.220 -41.934) 56.368 19.192 ( -10.419 -21.110 -1.473) 23.587 21.285 ( -7.446 -15.140 18.904) 25.339 ======================= Grid point 1081 (378/580) ======================= q-point: ( 0.44 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -5.333 -9.540 4.155) 11.693 2.743 ( 3.170 0.899 8.807) 9.404 4.440 ( 3.302 -2.466 49.278) 49.450 4.690 ( 14.008 35.425 -6.711) 38.681 7.193 ( 17.335 14.680 -18.173) 29.091 8.475 ( 4.308 13.146 -1.967) 13.973 10.555 ( 3.234 6.914 -7.647) 10.804 11.675 ( -3.727 -1.574 7.039) 8.118 11.797 ( -2.588 -1.436 6.041) 6.727 14.991 ( 16.026 16.723 -30.100) 37.980 18.841 ( -8.476 -13.563 -5.829) 17.022 21.050 ( -8.994 -14.498 16.173) 23.509 ======================= Grid point 1082 (379/580) ======================= q-point: ( 0.50 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -8.069 -9.493 0.642) 12.476 2.778 ( 0.395 -3.180 4.989) 5.930 4.581 ( 0.451 -8.182 44.779) 45.523 5.286 ( 13.221 36.994 -3.733) 39.462 7.043 ( -12.112 -12.910 -30.014) 34.846 9.192 ( 34.042 36.308 8.469) 50.487 10.654 ( 2.640 7.507 -6.672) 10.385 11.630 ( -1.868 -1.210 6.531) 6.900 11.766 ( -1.999 -0.126 4.790) 5.192 15.239 ( 9.167 5.935 -20.921) 23.599 18.590 ( -5.412 -7.831 -8.085) 12.489 20.795 ( -9.523 -13.514 12.933) 20.989 ======================= Grid point 1083 (380/580) ======================= q-point: ( 0.56 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -9.825 -7.557 -1.986) 12.554 2.747 ( -0.225 -5.148 2.763) 5.847 4.547 ( -6.118 -15.731 31.752) 35.959 5.806 ( 7.559 28.593 -2.677) 29.696 6.636 ( -11.949 0.541 -23.814) 26.649 10.122 ( 28.136 25.945 8.671) 39.242 10.768 ( 4.035 9.611 -5.459) 11.767 11.658 ( 4.624 -0.091 4.712) 6.603 11.766 ( 0.379 1.982 3.257) 3.832 15.295 ( 1.759 -1.795 -14.410) 14.627 18.443 ( -1.901 -3.724 -7.747) 8.803 20.539 ( -9.261 -12.105 9.233) 17.820 ======================= Grid point 1084 (381/580) ======================= q-point: ( 0.61 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -9.925 -3.971 -4.230) 11.496 2.695 ( 0.188 -6.179 1.499) 6.361 4.247 ( -14.409 -20.901 10.587) 27.505 6.008 ( 0.426 3.872 -4.717) 6.118 6.627 ( -4.575 32.755 -7.853) 33.992 10.585 ( 6.547 5.785 5.384) 10.263 10.974 ( 2.853 14.945 1.021) 15.249 11.722 ( -1.585 2.836 2.274) 3.965 12.016 ( 25.846 3.613 -0.172) 26.098 15.186 ( -4.502 -5.976 -9.767) 12.303 18.398 ( 1.792 -0.799 -5.417) 5.762 20.294 ( -8.553 -10.410 5.321) 14.485 ======================= Grid point 1085 (382/580) ======================= q-point: ( 0.67 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -7.450 1.022 -6.429) 9.894 2.645 ( 1.043 -6.550 0.804) 6.681 3.764 ( -17.223 -18.160 -6.495) 25.857 6.033 ( 3.074 0.062 -0.132) 3.077 6.878 ( -8.975 38.427 -2.136) 39.519 10.687 ( 2.951 -0.310 3.228) 4.385 11.098 ( -3.987 12.005 4.877) 13.558 11.712 ( -4.244 4.519 0.703) 6.238 12.523 ( 26.813 -3.681 -3.447) 27.283 15.006 ( -4.854 -4.571 -6.133) 9.060 18.452 ( 5.426 1.324 -2.280) 6.033 20.069 ( -7.719 -8.615 1.678) 11.688 ======================= Grid point 1086 (383/580) ======================= q-point: (-0.28 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -2.230 6.169 -8.589) 10.808 2.608 ( 1.940 -6.285 0.517) 6.598 3.306 ( -13.915 -10.585 -13.219) 21.918 6.128 ( 7.059 0.571 1.802) 7.308 7.027 ( -16.339 35.537 -0.727) 39.120 10.735 ( 3.443 -2.602 2.895) 5.196 11.148 ( -4.613 10.499 5.693) 12.803 11.670 ( -6.630 5.903 -0.229) 8.880 12.686 ( 4.130 -18.661 -5.238) 19.818 14.976 ( 6.440 1.880 -4.203) 7.916 18.595 ( 8.926 2.826 0.326) 9.369 19.866 ( -6.925 -6.795 -0.906) 9.744 ======================= Grid point 1087 (384/580) ======================= q-point: (-0.22 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 3.613 9.364 -10.465) 14.500 2.591 ( 2.546 -5.324 0.815) 5.957 3.007 ( -8.370 -3.059 -9.274) 12.862 6.289 ( 8.632 1.703 1.147) 8.873 7.026 ( -19.970 29.653 -1.092) 35.767 10.773 ( 3.158 -3.699 2.787) 5.605 11.191 ( -3.654 8.521 5.439) 10.749 11.601 ( -8.881 7.351 0.004) 11.529 12.288 ( -18.673 -26.842 -4.539) 33.011 15.206 ( 16.127 3.925 -5.394) 17.452 18.812 ( 11.952 3.358 0.290) 12.418 19.692 ( -5.891 -4.629 -0.626) 7.518 ======================= Grid point 1088 (385/580) ======================= q-point: (-0.17 0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 7.290 9.978 -11.500) 16.881 2.593 ( 2.408 -3.880 1.935) 4.960 2.882 ( -4.509 1.292 3.494) 5.848 6.369 ( -8.910 6.345 0.776) 10.966 7.026 ( -2.157 18.428 -4.313) 19.048 10.746 ( -5.931 -5.742 3.845) 9.107 11.176 ( -8.306 -1.785 0.035) 8.496 11.493 ( -13.650 5.266 3.555) 15.057 11.663 ( -15.062 -14.957 -1.779) 21.301 15.508 ( 16.306 2.256 -8.113) 18.352 19.042 ( 11.432 1.137 -8.272) 14.156 19.596 ( -1.761 -0.439 8.339) 8.535 ======================= Grid point 1097 (386/580) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -0.000 18.740 14.634) 23.777 2.382 ( -0.000 -5.393 13.079) 14.147 4.024 ( 0.000 19.333 -15.103) 24.533 4.155 ( -0.000 4.361 45.617) 45.825 5.780 ( 0.000 59.934 9.851) 60.738 9.036 ( 0.000 -16.699 -22.076) 27.680 10.334 ( 0.000 4.057 -7.511) 8.537 11.827 ( -0.000 -4.191 6.560) 7.784 11.884 ( -0.000 -1.554 7.854) 8.006 14.101 ( 0.000 48.495 -47.891) 68.157 19.403 ( -0.000 -28.570 1.235) 28.596 21.422 ( -0.000 -17.075 19.523) 25.937 ======================= Grid point 1098 (387/580) ======================= q-point: ( 0.39 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -1.404 -10.176 9.167) 13.768 2.566 ( 5.707 9.560 12.745) 16.924 4.259 ( 6.779 24.293 -9.478) 26.943 4.361 ( 2.529 3.537 45.271) 45.479 6.495 ( 12.281 51.823 1.648) 53.284 8.735 ( -8.585 -10.292 -18.770) 23.064 10.399 ( 4.552 4.962 -7.331) 9.954 11.786 ( -2.002 -3.881 6.213) 7.594 11.874 ( -1.404 -2.607 6.822) 7.437 14.487 ( 9.618 35.844 -37.948) 53.079 19.097 ( -4.740 -22.387 -1.969) 22.968 21.277 ( -3.603 -17.221 17.672) 24.937 ======================= Grid point 1099 (388/580) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -2.779 -12.629 5.431) 14.025 2.732 ( 2.735 1.546 8.681) 9.232 4.512 ( 2.622 -2.789 43.957) 44.123 4.771 ( 15.069 32.853 -3.272) 36.292 7.062 ( 8.814 16.005 -16.585) 24.676 8.597 ( -0.405 19.623 -4.248) 20.082 10.521 ( 5.289 5.946 -6.895) 10.530 11.731 ( -2.510 -2.985 5.982) 7.141 11.836 ( -1.891 -2.646 5.468) 6.362 14.852 ( 10.777 21.719 -27.888) 36.954 18.802 ( -5.772 -15.032 -5.393) 16.981 21.075 ( -6.093 -16.865 15.406) 23.641 ======================= Grid point 1100 (389/580) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -4.424 -12.400 2.284) 13.362 2.763 ( -0.369 -2.805 5.094) 5.827 4.620 ( 0.554 -10.998 43.855) 45.216 5.404 ( 16.342 37.229 -3.115) 40.777 6.969 ( -5.533 -11.925 -29.279) 32.095 9.142 ( 19.848 42.879 6.740) 47.728 10.644 ( 4.109 6.130 -5.824) 9.401 11.679 ( -2.608 -1.970 5.337) 6.258 11.803 ( -1.209 -1.281 4.247) 4.597 15.097 ( 8.009 9.664 -19.401) 23.107 18.569 ( -4.741 -8.771 -7.598) 12.535 20.837 ( -7.490 -15.936 12.656) 21.685 ======================= Grid point 1101 (390/580) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -6.007 -9.965 -0.382) 11.642 2.716 ( -1.474 -5.291 2.980) 6.249 4.568 ( -4.437 -19.527 33.597) 39.112 5.951 ( 6.386 25.185 -4.143) 26.310 6.719 ( -1.454 5.813 -23.226) 23.987 9.985 ( 24.956 36.271 7.528) 44.666 10.749 ( 4.065 5.122 -4.674) 8.038 11.645 ( -1.117 -0.498 3.746) 3.941 11.800 ( -0.393 0.819 3.381) 3.501 15.194 ( 3.459 0.622 -13.055) 13.520 18.415 ( -2.520 -4.233 -7.787) 9.214 20.586 ( -7.926 -14.414 9.455) 18.974 ======================= Grid point 1102 (391/580) ======================= q-point: ( 0.61 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -7.063 -5.536 -2.767) 9.391 2.637 ( -1.049 -7.094 1.889) 7.416 4.283 ( -11.326 -24.945 15.345) 31.400 6.032 ( -2.580 1.151 -7.469) 7.985 6.993 ( 4.428 40.361 -7.299) 41.254 10.587 ( 5.895 14.020 5.233) 16.084 10.963 ( 15.634 12.598 -0.991) 20.103 11.687 ( 6.209 0.953 1.337) 6.423 11.825 ( 0.645 2.109 2.184) 3.104 15.151 ( -1.480 -4.694 -8.643) 9.946 18.348 ( 0.526 -1.214 -6.079) 6.221 20.340 ( -7.699 -12.417 6.003) 15.796 ======================= Grid point 1103 (392/580) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -6.888 0.342 -5.024) 8.532 2.558 ( 0.344 -8.314 1.408) 8.439 3.829 ( -14.693 -22.066 -0.785) 26.522 5.996 ( 0.607 -0.445 -1.666) 1.828 7.436 ( -4.302 47.133 -2.456) 47.393 10.674 ( -0.487 1.445 1.497) 2.137 11.280 ( 1.356 12.769 4.451) 13.590 11.818 ( -1.003 5.294 1.529) 5.601 11.992 ( 23.877 -5.855 -2.488) 24.710 15.019 ( -4.228 -5.141 -5.570) 8.680 18.369 ( 3.970 0.676 -3.400) 5.270 20.112 ( -7.146 -10.134 2.744) 12.700 ======================= Grid point 1104 (393/580) ======================= q-point: ( 0.72 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -4.822 6.229 -7.110) 10.611 2.498 ( 2.156 -8.625 1.313) 8.987 3.384 ( -12.870 -13.532 -8.758) 20.627 6.034 ( 4.222 -0.435 1.114) 4.388 7.731 ( -15.763 46.483 -0.661) 49.088 10.674 ( 1.091 -2.004 0.418) 2.319 11.364 ( -5.053 10.703 5.456) 13.033 11.829 ( -4.120 6.056 0.509) 7.342 12.271 ( 18.734 -18.493 -3.795) 26.596 14.919 ( -0.319 -0.908 -3.739) 3.860 18.473 ( 7.361 1.699 -1.116) 7.636 19.909 ( -6.454 -7.672 0.435) 10.035 ======================= Grid point 1105 (394/580) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -1.067 10.065 -8.715) 13.357 2.473 ( 3.862 -7.676 1.606) 8.742 3.085 ( -7.850 -4.046 -7.913) 11.858 6.140 ( 8.062 -0.314 0.868) 8.114 7.801 ( -26.369 40.458 -0.456) 48.295 10.687 ( 3.155 -2.560 -0.224) 4.069 11.384 ( -5.817 8.590 6.050) 12.009 11.803 ( -5.898 6.114 -0.573) 8.514 12.180 ( -1.293 -26.937 -3.010) 27.135 14.996 ( 9.338 2.480 -3.934) 10.432 18.642 ( 10.176 1.701 -1.017) 10.367 19.743 ( -5.381 -4.839 0.468) 7.252 ======================= Grid point 1106 (395/580) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 3.017 10.883 -9.348) 14.660 2.488 ( 4.843 -5.749 2.374) 7.883 2.976 ( -3.100 2.657 1.188) 4.252 6.307 ( 10.794 0.036 -1.001) 10.841 7.635 ( -31.831 29.791 -1.902) 43.639 10.727 ( 3.065 -0.715 -0.319) 3.163 11.345 ( -9.827 0.186 4.587) 10.846 11.715 ( -8.471 -13.323 -2.670) 16.012 11.776 ( -13.370 -2.255 2.274) 13.748 15.226 ( 15.024 2.088 -5.818) 16.246 18.830 ( 10.734 -0.088 -6.023) 12.309 19.648 ( -2.339 -0.941 5.674) 6.209 ======================= Grid point 1116 (396/580) ======================= q-point: ( 0.39 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -0.000 -14.028 7.801) 16.051 2.643 ( -0.000 6.965 11.021) 13.038 4.418 ( 0.000 28.025 -12.073) 30.515 4.500 ( -0.000 -2.152 49.625) 49.671 6.865 ( 0.000 37.469 -6.588) 38.044 8.708 ( 0.000 4.935 -14.226) 15.058 10.384 ( 0.000 5.454 -6.456) 8.451 11.775 ( -0.000 -4.944 5.878) 7.681 11.874 ( -0.000 -3.808 5.770) 6.913 14.642 ( 0.000 31.548 -31.118) 44.312 18.916 ( -0.000 -18.978 -3.571) 19.311 21.186 ( -0.000 -18.157 16.212) 24.341 ======================= Grid point 1117 (397/580) ======================= q-point: ( 0.44 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -1.052 -15.766 5.802) 16.833 2.740 ( 1.448 1.873 8.080) 8.419 4.595 ( -0.379 -4.131 41.328) 41.536 4.811 ( 13.238 27.537 -1.200) 30.578 7.044 ( -0.308 3.314 -21.610) 21.865 8.866 ( 0.088 36.273 -2.048) 36.331 10.466 ( 4.660 5.994 -6.001) 9.677 11.738 ( -0.688 -4.591 5.564) 7.246 11.842 ( -0.793 -4.084 4.505) 6.133 14.864 ( 3.994 21.836 -23.446) 32.288 18.713 ( -2.633 -13.212 -5.638) 14.604 21.026 ( -2.980 -18.221 14.397) 23.413 ======================= Grid point 1118 (398/580) ======================= q-point: ( 0.50 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -1.540 -15.699 3.699) 16.202 2.767 ( -0.771 -1.822 4.990) 5.368 4.634 ( -0.773 -14.369 42.435) 44.808 5.417 ( 20.946 32.331 -2.345) 38.594 6.832 ( -4.661 -13.247 -28.918) 32.147 9.392 ( 7.729 49.472 4.270) 50.254 10.603 ( 5.422 6.274 -5.053) 9.710 11.699 ( -0.940 -3.673 4.802) 6.119 11.807 ( -0.274 -2.789 3.379) 4.390 15.039 ( 4.109 11.223 -16.365) 20.265 18.533 ( -3.461 -7.536 -7.214) 10.991 20.819 ( -5.076 -17.488 12.137) 21.884 ======================= Grid point 1119 (399/580) ======================= q-point: ( 0.56 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -1.823 -13.506 1.608) 13.723 2.717 ( -2.842 -4.107 2.871) 5.761 4.534 ( -3.915 -23.689 33.883) 41.528 6.038 ( 10.239 22.263 -3.544) 24.760 6.627 ( 7.832 3.100 -23.184) 24.667 10.069 ( 13.545 42.788 5.012) 45.160 10.725 ( 2.864 5.550 -3.230) 7.031 11.667 ( -0.739 -1.849 2.812) 3.445 11.807 ( 0.919 -0.547 2.875) 3.067 15.118 ( 2.298 2.241 -10.660) 11.132 18.399 ( -2.903 -3.197 -7.498) 8.653 20.587 ( -6.193 -15.989 9.424) 19.566 ======================= Grid point 1120 (400/580) ======================= q-point: ( 0.61 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -2.092 -8.876 -0.501) 9.133 2.616 ( -3.520 -6.041 1.753) 7.208 4.243 ( -8.655 -28.643 18.674) 35.271 6.069 ( -4.241 -0.327 -9.198) 10.134 7.149 ( 21.365 37.057 -6.660) 43.290 10.707 ( 12.897 30.524 5.436) 33.580 10.784 ( 3.017 0.733 -2.077) 3.735 11.665 ( 0.433 1.120 0.470) 1.289 11.840 ( 1.292 1.234 2.324) 2.932 15.098 ( -0.275 -3.536 -6.606) 7.498 18.323 ( -1.106 -0.381 -6.245) 6.354 20.352 ( -6.479 -13.834 6.404) 16.564 ======================= Grid point 1121 (401/580) ======================= q-point: ( 0.67 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -2.473 -2.109 -2.660) 4.200 2.495 ( -2.561 -8.005 1.403) 8.521 3.824 ( -11.369 -25.296 4.645) 28.119 5.991 ( -1.471 -0.502 -3.300) 3.648 7.855 ( 11.878 46.048 -2.748) 47.635 10.752 ( -4.755 2.602 0.049) 5.421 11.215 ( 17.377 8.488 3.922) 19.733 11.706 ( 2.974 1.132 -1.250) 3.419 11.884 ( 0.697 2.758 1.400) 3.171 15.010 ( -2.353 -4.834 -4.017) 6.711 18.315 ( 1.661 1.148 -3.972) 4.456 20.131 ( -6.223 -11.209 3.453) 13.278 ======================= Grid point 1122 (402/580) ======================= q-point: ( 0.72 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -2.939 5.202 -4.756) 7.637 2.386 ( -0.013 -9.623 1.611) 9.757 3.418 ( -10.485 -16.234 -3.552) 19.649 5.982 ( 1.425 -0.611 0.046) 1.551 8.416 ( -3.892 50.772 -0.616) 50.925 10.680 ( -3.922 -0.693 -0.727) 4.049 11.490 ( 7.535 0.868 4.437) 8.787 11.762 ( 8.944 -11.540 -1.956) 14.731 11.935 ( 0.453 5.213 0.051) 5.233 14.920 ( -2.009 -2.007 -2.566) 3.827 18.376 ( 4.819 1.661 -1.845) 5.421 19.937 ( -5.651 -8.281 1.231) 10.100 ======================= Grid point 1123 (403/580) ======================= q-point: (-0.22 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -2.946 10.296 -6.405) 12.478 2.323 ( 3.497 -9.746 2.119) 10.569 3.142 ( -6.597 -5.648 -5.170) 10.106 6.026 ( 4.503 -0.904 0.626) 4.635 8.684 ( -22.933 47.226 0.220) 52.500 10.625 ( 0.470 -2.025 -1.612) 2.630 11.561 ( -1.028 0.640 4.553) 4.711 11.743 ( 7.864 -20.378 -1.660) 21.906 11.978 ( -0.749 2.146 -0.650) 2.364 14.908 ( 2.400 1.375 -2.258) 3.570 18.496 ( 7.581 1.240 -1.379) 7.805 19.783 ( -4.637 -5.047 0.784) 6.898 ======================= Grid point 1124 (404/580) ======================= q-point: (-0.17 0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -1.427 11.081 -7.127) 13.252 2.331 ( 6.389 -7.505 2.672) 10.212 3.048 ( -1.763 2.765 -0.067) 3.280 6.126 ( 8.175 -1.122 -0.727) 8.283 8.552 ( -37.047 31.610 -1.050) 48.711 10.660 ( 4.250 1.253 -1.281) 4.612 11.474 ( -4.657 -14.360 0.653) 15.110 11.650 ( -1.350 -5.920 3.734) 7.128 11.939 ( -5.223 1.643 -1.176) 5.600 15.019 ( 9.097 2.227 -3.222) 9.904 18.639 ( 8.757 -0.302 -4.256) 9.742 19.693 ( -2.301 -1.359 3.650) 4.524 ======================= Grid point 1135 (405/580) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -0.000 -17.826 5.428) 18.634 2.767 ( -0.000 0.670 6.671) 6.704 4.678 ( -0.000 -13.324 48.497) 50.294 4.937 ( 0.000 29.196 -8.307) 30.355 6.933 ( 0.000 -10.870 -27.179) 29.273 9.305 ( 0.000 50.733 0.883) 50.741 10.465 ( 0.000 6.451 -5.271) 8.330 11.710 ( -0.000 -5.096 5.377) 7.408 11.817 ( -0.000 -4.473 3.626) 5.758 14.963 ( 0.000 16.712 -18.031) 24.585 18.602 ( 0.000 -9.152 -6.352) 11.141 20.911 ( -0.000 -18.641 13.072) 22.767 ======================= Grid point 1136 (406/580) ======================= q-point: ( 0.50 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -0.145 -18.312 4.621) 18.887 2.781 ( -0.621 -1.286 4.633) 4.848 4.633 ( -2.557 -20.519 42.546) 47.305 5.358 ( 17.011 27.615 -4.028) 32.683 6.673 ( -3.451 -14.359 -28.318) 31.937 9.849 ( 1.107 52.595 1.921) 52.642 10.563 ( 4.862 7.474 -4.547) 10.008 11.678 ( 0.047 -4.739 4.933) 6.841 11.787 ( 0.035 -3.041 2.953) 4.239 15.055 ( 0.955 9.072 -12.628) 15.578 18.494 ( -1.802 -4.660 -7.027) 8.623 20.743 ( -2.480 -18.162 11.330) 21.549 ======================= Grid point 1137 (407/580) ======================= q-point: ( 0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.665 -16.824 3.549) 17.207 2.743 ( -2.825 -2.863 2.730) 4.861 4.452 ( -4.235 -28.896 33.184) 44.205 5.994 ( 21.375 24.550 -0.841) 32.562 6.424 ( 2.505 -5.889 -24.231) 25.062 10.352 ( 3.102 35.992 1.042) 36.141 10.754 ( 4.978 16.732 -2.505) 17.635 11.652 ( 0.196 -3.310 3.545) 4.855 11.786 ( 1.043 -0.720 2.640) 2.929 15.086 ( 0.351 1.592 -7.900) 8.067 18.403 ( -2.662 -0.994 -7.043) 7.595 20.542 ( -4.161 -16.805 9.127) 19.571 ======================= Grid point 1138 (408/580) ======================= q-point: ( 0.61 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 2.044 -12.798 2.246) 13.154 2.646 ( -4.899 -4.154 1.410) 6.576 4.134 ( -6.563 -32.178 20.554) 38.742 6.109 ( -4.502 -0.887 -9.694) 10.725 6.950 ( 34.926 27.621 -5.578) 44.875 10.638 ( 6.168 6.392 -0.517) 8.898 11.048 ( -1.314 32.220 0.993) 32.262 11.651 ( 1.269 -0.568 1.142) 1.800 11.822 ( 2.039 0.423 2.252) 3.067 15.052 ( -0.569 -3.666 -4.325) 5.698 18.339 ( -2.388 1.448 -5.987) 6.606 20.329 ( -4.965 -14.654 6.540) 16.798 ======================= Grid point 1139 (409/580) ======================= q-point: ( 0.67 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 3.281 -6.221 0.717) 7.069 2.505 ( -5.882 -5.616 0.727) 8.165 3.748 ( -7.898 -27.727 9.206) 30.264 6.014 ( -2.874 -0.160 -4.503) 5.345 7.854 ( 33.589 34.180 -2.756) 48.001 10.738 ( 4.754 -3.748 -0.028) 6.054 11.271 ( -6.631 22.071 2.511) 23.182 11.694 ( 2.614 1.998 -1.210) 3.506 11.875 ( 2.707 0.885 1.587) 3.261 14.979 ( -1.018 -5.008 -2.106) 5.528 18.314 ( -0.915 2.685 -3.992) 4.897 20.125 ( -5.045 -11.884 3.848) 13.472 ======================= Grid point 1140 (410/580) ======================= q-point: ( 0.72 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 3.382 1.765 -1.013) 3.947 2.343 ( -5.044 -7.595 0.700) 9.144 3.397 ( -7.276 -18.138 1.611) 19.609 5.972 ( -0.887 -0.090 -1.099) 1.415 8.738 ( 23.625 42.022 -1.199) 48.222 10.742 ( -0.301 -3.212 -0.043) 3.227 11.261 ( -3.959 -5.496 1.217) 6.883 11.748 ( 0.151 3.391 0.217) 3.402 11.947 ( 2.846 2.728 0.152) 3.945 14.917 ( -0.823 -2.621 -1.075) 2.950 18.337 ( 1.451 2.864 -1.879) 3.720 19.946 ( -4.620 -8.708 1.593) 9.986 ======================= Grid point 1141 (411/580) ======================= q-point: ( 0.78 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 1.134 9.208 -3.002) 9.752 2.199 ( -1.178 -9.976 1.478) 10.154 3.164 ( -4.584 -7.094 -1.697) 8.615 5.971 ( 1.255 -0.473 0.129) 1.347 9.430 ( -0.765 49.781 0.529) 49.790 10.649 ( -6.949 -1.306 -2.026) 7.355 11.116 ( 12.007 -31.524 0.011) 33.734 11.768 ( -2.825 4.080 3.405) 6.018 12.005 ( 0.843 1.833 -1.666) 2.617 14.897 ( 0.159 0.466 -0.825) 0.960 18.407 ( 3.992 2.178 -0.906) 4.637 19.806 ( -3.712 -5.294 0.586) 6.493 ======================= Grid point 1142 (412/580) ======================= q-point: (-0.17 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -3.492 11.506 -4.989) 13.018 2.144 ( 6.010 -9.239 2.854) 11.385 3.091 ( -0.540 2.058 -0.335) 2.154 6.008 ( 3.939 -0.918 -0.279) 4.054 9.504 ( -37.604 27.895 -0.152) 46.821 10.604 ( 3.921 2.773 -1.620) 5.068 11.109 ( 18.671 -23.647 -0.776) 30.139 11.755 ( -4.551 3.265 5.934) 8.160 11.991 ( -1.856 -1.261 -3.284) 3.977 14.931 ( 3.120 1.780 -1.197) 3.786 18.503 ( 5.627 0.776 -2.280) 6.121 19.723 ( -1.895 -1.791 1.802) 3.170 ======================= Grid point 1154 (413/580) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.000 -19.617 5.123) 20.275 2.788 ( -0.000 -1.535 3.781) 4.081 4.550 ( -0.000 -29.458 40.366) 49.972 5.441 ( 0.000 24.999 -5.698) 25.640 6.481 ( 0.000 -11.662 -25.136) 27.710 10.372 ( 0.000 49.885 -0.550) 49.888 10.569 ( 0.000 6.873 -4.053) 7.979 11.643 ( -0.000 -4.936 4.932) 6.978 11.782 ( -0.000 0.646 3.483) 3.542 15.082 ( 0.000 4.174 -8.784) 9.725 18.457 ( 0.000 -1.326 -6.931) 7.056 20.618 ( -0.000 -17.947 10.144) 20.615 ======================= Grid point 1155 (414/580) ======================= q-point: ( 0.56 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 1.180 -19.016 5.312) 19.779 2.767 ( -1.688 -2.178 2.537) 3.746 4.307 ( -3.402 -35.303 31.281) 47.291 5.838 ( 19.435 22.197 -2.991) 29.654 6.295 ( -2.030 -6.209 -19.235) 20.314 10.591 ( -2.367 11.429 -2.531) 11.943 10.889 ( 7.304 32.369 -4.106) 33.436 11.622 ( 1.138 -3.804 4.758) 6.197 11.827 ( -1.807 8.607 4.530) 9.893 15.070 ( -0.429 -1.354 -5.194) 5.385 18.422 ( -1.608 1.539 -6.570) 6.937 20.456 ( -2.002 -16.829 8.496) 18.958 ======================= Grid point 1156 (415/580) ======================= q-point: ( 0.61 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 3.687 -15.704 5.144) 16.932 2.697 ( -4.187 -2.788 1.284) 5.192 3.961 ( -4.621 -35.317 21.135) 41.416 6.141 ( -3.577 -0.649 -9.137) 9.834 6.541 ( 34.936 19.726 -4.086) 40.328 10.645 ( -0.260 4.826 -1.083) 4.953 11.268 ( 8.234 19.255 -7.148) 22.128 11.652 ( 2.612 0.594 5.221) 5.868 11.899 ( -6.589 15.359 4.732) 17.370 15.010 ( -0.909 -5.346 -2.235) 5.865 18.391 ( -2.585 3.571 -5.531) 7.073 20.274 ( -3.256 -14.851 6.383) 16.489 ======================= Grid point 1157 (416/580) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 6.646 -9.525 4.470) 12.445 2.575 ( -6.599 -3.360 0.265) 7.410 3.607 ( -4.668 -29.020 12.570) 31.968 6.055 ( -3.361 0.618 -4.925) 5.994 7.426 ( 43.495 20.821 -1.931) 48.261 10.666 ( 0.306 -0.620 0.456) 0.828 11.515 ( 7.648 8.236 -8.569) 14.133 11.752 ( 1.010 7.632 6.090) 9.816 11.896 ( -11.079 10.756 3.116) 15.753 14.934 ( -0.474 -5.828 -0.291) 5.855 18.371 ( -2.605 4.668 -3.684) 6.492 20.094 ( -3.709 -12.154 3.963) 13.311 ======================= Grid point 1158 (417/580) ======================= q-point: ( 0.72 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 8.704 -2.166 3.362) 9.579 2.407 ( -8.249 -4.075 -0.461) 9.213 3.320 ( -3.851 -18.762 6.036) 20.082 6.002 ( -2.543 1.015 -1.898) 3.332 8.422 ( 46.081 22.454 -1.256) 51.276 10.653 ( 1.077 -4.539 1.465) 4.889 11.585 ( -16.602 8.285 -3.460) 18.874 11.734 ( -2.180 2.301 0.529) 3.214 11.905 ( 4.858 1.542 2.321) 5.601 14.889 ( 0.526 -2.959 0.471) 3.042 18.373 ( -1.628 4.804 -1.477) 5.283 19.933 ( -3.488 -8.961 1.638) 9.755 ======================= Grid point 1159 (418/580) ======================= q-point: ( 0.78 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 9.158 4.314 2.098) 10.338 2.210 ( -8.549 -5.262 -0.846) 10.074 3.147 ( -2.079 -7.744 1.702) 8.197 5.973 ( -1.375 0.828 -0.385) 1.651 9.438 ( 43.360 24.694 -0.966) 49.908 10.628 ( 2.408 -7.761 2.220) 8.423 11.119 ( -32.626 -5.416 -0.591) 33.078 11.796 ( 3.377 1.075 -2.094) 4.116 11.988 ( 1.929 0.821 1.341) 2.488 14.891 ( 0.846 0.158 0.394) 0.947 18.402 ( 0.041 4.113 0.103) 4.115 19.808 ( -2.714 -5.541 0.063) 6.170 ======================= Grid point 1160 (419/580) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 6.117 10.595 -0.000) 12.234 2.013 ( -4.952 -8.577 -0.000) 9.904 3.106 ( 0.702 1.217 -0.000) 1.405 5.969 ( 0.253 0.438 -0.000) 0.505 10.353 ( -20.575 -35.638 -0.000) 41.151 10.386 ( 22.874 39.618 -0.000) 45.747 10.638 ( -1.221 -2.116 0.000) 2.443 11.834 ( 0.312 0.541 0.000) 0.625 11.985 ( -1.617 -2.801 -0.000) 3.234 14.915 ( 0.858 1.485 -0.000) 1.715 18.453 ( 1.655 2.866 0.000) 3.309 19.734 ( -1.276 -2.210 -0.000) 2.552 ======================= Grid point 1174 (420/580) ======================= q-point: ( 0.56 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -0.000 -19.398 6.985) 20.617 2.769 ( -0.000 -2.007 2.055) 2.872 4.056 ( -0.000 -39.155 26.618) 47.346 5.847 ( 0.000 18.384 -3.716) 18.756 6.219 ( 0.000 -2.459 -12.903) 13.135 10.683 ( 0.000 6.665 -2.983) 7.302 11.063 ( 0.000 17.724 -7.139) 19.108 11.577 ( -0.000 -4.848 4.437) 6.572 12.049 ( 0.000 25.392 6.860) 26.303 15.030 ( 0.000 -5.050 -2.626) 5.692 18.443 ( 0.000 3.768 -5.988) 7.075 20.333 ( -0.000 -16.015 7.429) 17.654 ======================= Grid point 1175 (421/580) ======================= q-point: ( 0.61 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 3.005 -16.786 8.365) 18.994 2.735 ( -2.314 -2.073 1.245) 3.347 3.726 ( -2.096 -36.505 20.410) 41.875 6.156 ( -0.572 0.731 -9.051) 9.098 6.198 ( 20.249 14.633 -1.013) 25.003 10.718 ( -2.124 5.480 -1.770) 6.138 11.208 ( 6.531 5.680 -8.778) 12.327 11.579 ( 4.055 -3.682 4.168) 6.883 12.303 ( -6.795 29.224 6.437) 30.686 14.956 ( -0.562 -7.197 -0.305) 7.225 18.457 ( -1.620 5.466 -4.983) 7.572 20.188 ( -1.518 -14.361 5.848) 15.580 ======================= Grid point 1176 (422/580) ======================= q-point: ( 0.67 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 7.137 -10.538 8.679) 15.405 2.653 ( -5.091 -2.119 0.263) 5.520 3.418 ( -1.868 -28.388 14.544) 31.951 6.108 ( -2.926 2.014 -4.455) 5.697 6.856 ( 38.223 12.310 -0.759) 40.163 10.706 ( -3.322 2.236 0.063) 4.005 11.355 ( 9.800 1.636 -9.284) 13.598 11.670 ( 7.588 -1.564 3.432) 8.473 12.387 ( -15.673 20.877 5.074) 26.594 14.882 ( -0.242 -5.561 1.460) 5.755 18.465 ( -2.780 6.524 -3.280) 7.814 20.037 ( -2.323 -11.954 3.774) 12.749 ======================= Grid point 1177 (423/580) ======================= q-point: ( 0.72 0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 10.313 -3.149 7.603) 13.194 2.519 ( -7.769 -1.985 -0.762) 8.055 3.201 ( -0.842 -17.649 9.133) 19.890 6.067 ( -3.417 2.785 -2.040) 4.857 7.727 ( 48.662 9.510 -0.264) 49.583 10.657 ( -3.252 -0.362 1.332) 3.533 11.514 ( 10.067 0.543 -8.421) 13.136 11.808 ( 7.537 -0.748 2.409) 7.948 12.194 ( -24.322 7.742 3.793) 25.805 14.858 ( 0.602 -1.039 2.226) 2.529 18.472 ( -3.243 6.799 -0.996) 7.598 19.899 ( -2.372 -8.972 1.433) 9.390 ======================= Grid point 1178 (424/580) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 11.676 1.918 6.054) 13.291 2.343 ( -9.904 -1.461 -1.752) 10.163 3.095 ( 0.398 -7.303 4.241) 8.455 6.032 ( -3.361 3.016 -0.565) 4.551 8.686 ( 52.717 3.409 -0.195) 52.827 10.606 ( -2.328 -0.569 1.992) 3.116 11.607 ( -7.414 -1.461 -4.473) 8.781 11.738 ( -13.194 -2.416 -0.752) 13.435 11.961 ( 1.902 0.650 2.805) 3.450 14.887 ( 0.744 2.416 1.956) 3.196 18.483 ( -2.957 6.293 1.191) 7.055 19.790 ( -1.768 -5.697 -0.663) 6.002 ======================= Grid point 1193 (425/580) ======================= q-point: ( 0.61 0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -0.000 -14.710 11.697) 18.794 2.740 ( -0.000 -1.746 1.004) 2.014 3.452 ( -0.000 -33.033 18.257) 37.743 6.121 ( 0.000 10.604 -2.031) 10.797 6.173 ( 0.000 2.690 -4.271) 5.048 10.794 ( 0.000 6.041 -2.137) 6.407 11.154 ( 0.000 1.826 -8.850) 9.036 11.505 ( -0.000 -5.088 3.866) 6.390 12.666 ( 0.000 24.568 5.796) 25.242 14.891 ( -0.000 -6.487 1.626) 6.688 18.519 ( 0.000 6.997 -4.163) 8.141 20.080 ( -0.000 -13.138 4.815) 13.992 ======================= Grid point 1194 (426/580) ======================= q-point: ( 0.67 0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 4.883 -8.314 13.357) 16.474 2.704 ( -2.678 -1.546 0.410) 3.119 3.212 ( -0.000 -24.646 14.795) 28.746 6.168 ( -1.919 4.140 -3.062) 5.495 6.414 ( 22.231 7.117 0.095) 23.343 10.806 ( -4.062 4.240 -0.793) 5.925 11.192 ( 6.184 0.800 -9.625) 11.468 11.525 ( 6.386 -4.134 3.238) 8.268 12.789 ( -8.937 10.660 4.686) 14.679 14.856 ( -0.192 -1.080 3.426) 3.598 18.568 ( -1.710 8.099 -2.738) 8.718 19.961 ( -1.025 -11.199 3.181) 11.687 ======================= Grid point 1195 (427/580) ======================= q-point: (-0.28 -0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 8.982 -0.745 11.975) 14.988 2.619 ( -5.529 -1.132 -0.533) 5.669 3.066 ( 1.104 -14.514 10.299) 17.831 6.161 ( -3.411 5.239 -1.478) 6.424 7.012 ( 39.263 3.264 0.786) 39.406 10.747 ( -5.511 1.771 0.730) 5.834 11.311 ( 9.752 0.555 -9.430) 13.577 11.647 ( 9.648 -2.522 2.148) 10.201 12.597 ( -17.401 -4.951 3.558) 18.438 14.887 ( -0.653 5.526 4.431) 7.113 18.604 ( -3.178 8.575 -0.546) 9.161 19.847 ( -1.359 -8.636 0.959) 8.795 ======================= Grid point 1196 (428/580) ======================= q-point: (-0.22 -0.39 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 10.687 3.754 9.362) 14.696 2.489 ( -8.121 -0.178 -1.645) 8.288 3.020 ( 2.176 -5.929 5.206) 8.185 6.146 ( -4.523 6.058 -0.250) 7.564 7.794 ( 48.520 -3.039 0.913) 48.624 10.677 ( -4.269 1.496 1.411) 4.739 11.455 ( 9.610 -0.983 -8.023) 12.557 11.791 ( 7.434 -2.297 1.790) 7.984 12.155 ( -21.483 -13.530 2.217) 25.485 14.955 ( -1.669 8.595 4.255) 9.735 18.627 ( -4.208 8.291 2.083) 9.528 19.753 ( -0.976 -5.654 -1.547) 5.943 ======================= Grid point 1212 (429/580) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -0.000 -2.319 16.356) 16.519 2.715 ( -0.000 -1.270 0.353) 1.318 3.041 ( -0.000 -17.636 12.904) 21.852 6.240 ( 0.000 2.134 -0.846) 2.296 6.261 ( 0.000 7.602 0.164) 7.604 10.897 ( 0.000 5.397 -1.309) 5.553 11.110 ( 0.000 0.483 -9.888) 9.900 11.421 ( -0.000 -5.642 3.160) 6.466 12.903 ( -0.000 -6.727 3.888) 7.770 14.905 ( -0.000 7.597 5.468) 9.361 18.664 ( 0.000 9.362 -1.732) 9.521 19.872 ( -0.000 -9.834 2.009) 10.037 ======================= Grid point 1213 (430/580) ======================= q-point: (-0.28 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 4.995 4.200 15.305) 16.638 2.680 ( -2.762 -0.933 -0.171) 2.921 2.952 ( 1.374 -9.821 9.014) 13.401 6.264 ( -0.717 5.174 -0.911) 5.302 6.503 ( 20.240 2.886 2.010) 20.544 10.877 ( -6.202 2.940 -0.303) 6.870 11.145 ( 6.394 1.195 -9.962) 11.897 11.455 ( 8.390 -4.624 2.057) 9.798 12.694 ( -8.048 -21.648 3.222) 23.319 15.025 ( -1.557 13.696 6.732) 15.340 18.743 ( -1.927 10.105 0.126) 10.288 19.782 ( -0.528 -7.848 0.066) 7.866 ======================= Grid point 1214 (431/580) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 7.647 7.661 12.236) 16.336 2.601 ( -5.360 -0.082 -1.231) 5.500 2.941 ( 2.675 -4.246 4.079) 6.468 6.294 ( -3.241 7.836 0.027) 8.480 7.010 ( 36.171 -3.313 2.143) 36.386 10.784 ( -5.834 1.199 0.298) 5.963 11.260 ( 8.656 0.133 -8.291) 11.987 11.598 ( 11.208 -3.321 0.630) 11.706 12.253 ( -13.392 -28.880 2.582) 31.939 15.146 ( -3.974 14.891 6.815) 16.852 18.799 ( -3.840 10.050 2.923) 11.149 19.702 ( -0.390 -5.296 -2.670) 5.944 ======================= Grid point 1231 (432/580) ======================= q-point: (-0.28 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -0.000 8.922 15.709) 18.066 2.693 ( -0.000 -1.013 -0.021) 1.013 2.888 ( -0.000 -5.339 5.412) 7.603 6.191 ( -0.000 -6.590 -0.472) 6.607 6.494 ( 0.000 14.951 3.026) 15.254 10.996 ( 0.000 4.906 0.063) 4.906 11.044 ( 0.000 -0.705 -11.284) 11.306 11.319 ( -0.000 -6.125 1.941) 6.425 12.490 ( -0.000 -33.284 3.094) 33.428 15.227 ( 0.000 17.362 8.303) 19.245 18.870 ( 0.000 11.184 1.547) 11.290 19.711 ( -0.000 -6.501 -1.566) 6.687 ======================= Grid point 1232 (433/580) ======================= q-point: (-0.22 -0.28 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 3.583 11.214 13.876) 18.197 2.662 ( -2.427 -0.703 -0.611) 2.600 2.873 ( 1.749 -3.189 0.842) 3.733 6.231 ( 12.374 -8.773 -1.016) 15.203 6.701 ( 4.873 16.031 4.327) 17.305 10.890 ( -6.622 -2.364 -3.748) 7.968 11.119 ( 5.621 1.691 -5.667) 8.159 11.363 ( 9.929 -5.572 0.046) 11.386 12.089 ( -5.700 -36.517 2.979) 37.079 15.402 ( -3.253 16.914 8.797) 19.340 18.973 ( -2.318 11.385 4.275) 12.380 19.645 ( -0.037 -4.459 -4.368) 6.242 ======================= Grid point 1250 (434/580) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -0.000 12.825 14.069) 19.037 2.670 ( -0.000 -1.449 -0.133) 1.455 2.820 ( 0.000 -3.670 -3.486) 5.062 5.972 ( -0.000 -14.722 -0.944) 14.752 6.906 ( 0.000 23.509 4.634) 23.961 10.845 ( 0.000 -16.711 -11.905) 20.518 11.093 ( -0.000 2.836 4.811) 5.585 11.206 ( 0.000 -4.502 -2.628) 5.213 11.790 ( -0.000 -31.831 2.504) 31.929 15.628 ( -0.000 15.669 9.779) 18.470 19.129 ( -0.000 11.672 7.197) 13.712 19.589 ( 0.000 -2.752 -7.506) 7.995 ======================= Grid point 1385 (435/580) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -0.000 0.000 19.927) 19.927 0.780 ( -0.000 0.000 19.927) 19.927 3.561 ( -0.000 0.000 87.374) 87.374 3.680 ( 0.000 -0.000 -14.019) 14.019 3.680 ( 0.000 -0.000 -14.019) 14.019 10.290 ( 0.000 -0.000 -35.847) 35.847 10.311 ( 0.000 -0.000 -9.079) 9.079 10.311 ( 0.000 -0.000 -9.079) 9.079 11.879 ( -0.000 0.000 8.199) 8.199 11.879 ( -0.000 0.000 8.199) 8.199 20.929 ( -0.000 0.000 0.576) 0.576 22.283 ( -0.000 0.000 2.077) 2.077 ======================= Grid point 1386 (436/580) ======================= q-point: ( 0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 24.029 13.873 17.145) 32.616 1.498 ( 38.292 22.108 16.387) 47.155 3.625 ( 0.905 0.522 -15.173) 15.209 3.724 ( 4.455 2.572 11.947) 13.008 3.980 ( 15.001 8.661 55.355) 58.001 9.730 ( -14.216 -8.207 -20.307) 26.112 10.304 ( 1.526 0.881 -8.993) 9.164 11.419 ( 43.141 24.908 -30.359) 58.337 11.888 ( -1.319 -0.761 8.018) 8.161 12.093 ( 31.462 18.165 -14.656) 39.174 20.675 ( -21.478 -12.401 1.671) 24.857 22.023 ( -17.659 -10.195 15.152) 25.404 ======================= Grid point 1387 (437/580) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 26.373 15.227 17.022) 34.888 2.220 ( 16.534 9.546 16.800) 25.431 3.634 ( 4.875 2.814 -16.706) 17.629 3.936 ( 7.459 4.307 30.496) 31.689 4.729 ( 38.800 22.401 28.921) 53.326 9.322 ( -16.107 -9.299 -21.978) 28.791 10.324 ( 2.653 1.532 -8.744) 9.265 11.708 ( 0.927 0.535 4.437) 4.565 11.872 ( -2.234 -1.290 7.569) 7.997 13.233 ( 58.677 33.877 -55.596) 87.645 20.068 ( -28.608 -16.517 3.826) 33.255 21.715 ( -14.296 -8.254 20.379) 26.227 ======================= Grid point 1388 (438/580) ======================= q-point: ( 0.39 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -1.354 -0.781 10.505) 10.621 2.434 ( 17.986 10.384 17.150) 26.934 3.782 ( 13.802 7.968 -16.760) 23.127 4.230 ( 6.120 3.534 47.839) 48.359 5.897 ( 53.740 31.027 8.884) 62.687 8.834 ( -19.406 -11.204 -21.552) 31.090 10.370 ( 3.713 2.143 -8.323) 9.362 11.701 ( -2.512 -1.450 7.872) 8.389 11.836 ( -2.817 -1.627 6.920) 7.646 14.223 ( 41.459 23.936 -46.876) 67.001 19.464 ( -23.463 -13.546 0.604) 27.100 21.461 ( -13.713 -7.917 18.924) 24.674 ======================= Grid point 1389 (439/580) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -8.533 -4.926 4.558) 10.856 2.751 ( 5.847 3.376 11.752) 13.553 4.184 ( 23.988 13.849 -11.053) 29.823 4.509 ( 3.518 2.031 51.744) 51.903 7.077 ( 39.378 22.735 -9.010) 46.354 8.394 ( -6.198 -3.578 -11.187) 13.281 10.439 ( 4.443 2.565 -7.671) 9.229 11.661 ( -2.899 -1.674 8.430) 9.070 11.790 ( -2.954 -1.706 6.072) 6.965 14.867 ( 26.192 15.122 -34.221) 45.670 18.998 ( -16.326 -9.426 -4.184) 19.311 21.197 ( -14.022 -8.096 16.183) 22.892 ======================= Grid point 1390 (440/580) ======================= q-point: ( 0.50 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -11.736 -6.776 0.680) 13.569 2.837 ( 0.192 0.111 5.947) 5.951 4.710 ( -0.872 -0.504 48.111) 48.122 4.751 ( 25.990 15.005 -5.145) 30.448 7.146 ( -17.187 -9.923 -32.080) 37.723 8.958 ( 44.573 25.734 8.817) 52.218 10.521 ( 4.598 2.655 -6.612) 8.480 11.644 ( -0.219 -0.127 7.622) 7.626 11.742 ( -2.668 -1.540 4.880) 5.771 15.227 ( 13.371 7.720 -24.029) 28.562 18.678 ( -9.806 -5.661 -7.037) 13.331 20.921 ( -13.839 -7.990 12.850) 20.506 ======================= Grid point 1391 (441/580) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -12.802 -7.391 -2.044) 14.923 2.831 ( -1.521 -0.878 2.717) 3.236 4.741 ( -9.732 -5.619 36.552) 38.240 5.310 ( 22.705 13.109 -2.019) 26.295 6.581 ( -18.638 -10.761 -29.372) 36.413 9.989 ( 37.032 21.381 10.008) 43.917 10.605 ( 4.247 2.452 -4.949) 6.967 11.699 ( -2.277 -1.314 3.137) 4.093 11.757 ( 10.102 5.832 4.701) 12.576 15.338 ( 2.279 1.316 -16.809) 17.014 18.494 ( -4.204 -2.427 -7.054) 8.563 20.645 ( -13.007 -7.509 9.049) 17.534 ======================= Grid point 1392 (442/580) ======================= q-point: ( 0.61 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -11.581 -6.686 -4.424) 14.085 2.796 ( -1.865 -1.077 0.992) 2.371 4.454 ( -21.779 -12.574 12.487) 28.078 5.768 ( 16.981 9.804 -0.465) 19.614 6.206 ( -6.707 -3.872 -14.896) 16.789 10.610 ( 13.656 7.884 12.052) 19.846 10.685 ( 3.853 2.225 -2.717) 5.213 11.653 ( -2.332 -1.346 0.850) 2.823 12.205 ( 26.791 15.468 -0.085) 30.936 15.240 ( -6.117 -3.532 -11.602) 13.583 18.433 ( 0.545 0.315 -4.844) 4.885 20.382 ( -11.734 -6.775 4.994) 14.440 ======================= Grid point 1393 (443/580) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -7.147 -4.126 -7.057) 10.858 2.756 ( -1.654 -0.955 0.067) 1.911 3.897 ( -24.622 -14.215 -8.625) 29.710 6.081 ( 9.897 5.714 0.356) 11.433 6.140 ( 2.273 1.312 -2.714) 3.775 10.769 ( 3.879 2.239 -0.307) 4.489 10.812 ( 2.788 1.610 12.345) 12.758 11.590 ( -3.181 -1.836 -1.616) 4.012 12.817 ( 22.028 12.718 -3.765) 25.712 15.036 ( -6.675 -3.854 -7.271) 10.596 18.483 ( 4.598 2.654 -1.613) 5.548 20.137 ( -10.305 -5.949 1.107) 11.950 ======================= Grid point 1394 (444/580) ======================= q-point: (-0.28 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.520 0.300 -10.036) 10.054 2.722 ( -1.261 -0.728 -0.340) 1.495 3.343 ( -18.336 -10.586 -16.683) 26.955 6.223 ( 2.115 1.221 0.814) 2.575 6.259 ( 8.057 4.652 0.418) 9.313 10.866 ( 4.381 2.530 1.710) 5.340 10.884 ( 0.637 0.368 12.172) 12.194 11.491 ( -4.626 -2.671 -3.709) 6.503 13.006 ( -6.598 -3.809 -6.187) 9.814 15.010 ( 7.750 4.474 -4.718) 10.116 18.632 ( 8.232 4.753 1.386) 9.606 19.913 ( -8.916 -5.148 -1.907) 10.470 ======================= Grid point 1395 (445/580) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 7.815 4.512 -12.748) 15.619 2.695 ( -1.005 -0.580 -0.322) 1.205 2.973 ( -9.386 -5.419 -11.949) 16.132 6.184 ( -5.692 -3.287 1.031) 6.653 6.514 ( 14.154 8.172 -1.076) 16.378 10.927 ( -0.816 -0.471 12.390) 12.426 10.983 ( 5.014 2.895 2.524) 6.316 11.353 ( -6.042 -3.488 -4.621) 8.369 12.532 ( -29.405 -16.977 -5.419) 34.384 15.300 ( 16.144 9.321 -6.363) 19.698 18.867 ( 11.267 6.505 2.132) 13.184 19.715 ( -7.373 -4.257 -2.336) 8.828 ======================= Grid point 1404 (446/580) ======================= q-point: ( 0.28 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -0.000 25.829 17.225) 31.045 1.583 ( 0.000 45.739 17.567) 48.997 3.645 ( 0.000 4.630 -15.503) 16.180 3.652 ( 0.000 9.003 -14.464) 17.037 4.200 ( -0.000 8.547 79.729) 80.186 9.698 ( 0.000 -12.907 -24.584) 27.766 10.259 ( 0.000 0.977 -8.280) 8.338 11.369 ( 0.000 69.131 -37.566) 78.679 11.919 ( -0.000 -1.366 7.428) 7.553 11.994 ( 0.000 12.299 -1.615) 12.405 20.677 ( -0.000 -24.805 1.405) 24.845 22.064 ( -0.000 -18.619 13.021) 22.721 ======================= Grid point 1405 (447/580) ======================= q-point: ( 0.33 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 17.648 25.239 16.997) 35.177 2.175 ( 11.619 23.988 18.896) 32.673 3.611 ( -1.300 8.528 -16.919) 18.992 3.874 ( 12.207 14.632 -4.230) 19.519 4.667 ( 13.060 19.088 63.004) 67.115 9.378 ( -11.107 -11.706 -25.890) 30.507 10.276 ( 2.493 2.257 -8.235) 8.895 11.766 ( -1.696 10.636 1.171) 10.834 11.915 ( -1.297 -1.502 7.227) 7.494 12.626 ( 39.044 54.109 -47.232) 81.750 20.247 ( -16.031 -29.200 2.944) 33.441 21.858 ( -7.846 -14.849 17.324) 24.128 ======================= Grid point 1406 (448/580) ======================= q-point: ( 0.39 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 16.902 16.370 17.337) 29.227 2.459 ( 1.523 2.756 14.001) 14.351 3.691 ( 4.792 15.280 -17.781) 23.929 4.266 ( 11.283 9.835 28.434) 32.133 5.511 ( 34.673 35.175 28.546) 57.047 8.934 ( -15.391 -13.443 -25.540) 32.709 10.327 ( 2.646 4.229 -8.028) 9.452 11.772 ( -3.489 0.704 7.150) 7.987 11.890 ( -2.480 -1.428 6.722) 7.306 13.664 ( 39.458 40.276 -46.779) 73.262 19.661 ( -19.414 -24.163 1.629) 31.039 21.625 ( -9.928 -12.579 17.319) 23.595 ======================= Grid point 1407 (449/580) ======================= q-point: ( 0.44 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -5.711 -6.299 6.579) 10.751 2.719 ( 7.538 5.626 13.979) 16.849 4.016 ( 14.717 25.926 -13.198) 32.603 4.606 ( 6.433 2.998 45.602) 46.151 6.624 ( 40.959 33.312 4.777) 53.010 8.460 ( -13.158 -9.502 -20.394) 26.064 10.399 ( 2.739 5.707 -7.457) 9.781 11.730 ( -3.586 -1.364 8.034) 8.903 11.847 ( -3.101 -1.527 5.797) 6.749 14.455 ( 29.577 25.112 -35.885) 52.850 19.142 ( -16.015 -16.993 -2.353) 23.469 21.370 ( -11.399 -12.057 15.279) 22.556 ======================= Grid point 1408 (450/580) ======================= q-point: ( 0.50 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -9.747 -8.334 2.198) 13.012 2.839 ( 1.358 -0.882 7.145) 7.326 4.573 ( 18.672 29.351 -5.810) 35.269 4.845 ( 2.331 -1.296 47.523) 47.598 7.150 ( -2.821 -4.711 -27.653) 28.193 8.577 ( 30.103 25.057 4.747) 39.453 10.485 ( 2.777 6.499 -6.570) 9.649 11.684 ( -2.526 -1.623 7.763) 8.323 11.795 ( -3.037 -1.220 4.582) 5.631 14.965 ( 18.696 13.480 -25.494) 34.369 18.757 ( -10.775 -10.664 -5.676) 16.188 21.091 ( -12.146 -11.654 12.429) 20.924 ======================= Grid point 1409 (451/580) ======================= q-point: ( 0.56 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -11.959 -8.391 -0.862) 14.635 2.838 ( -0.550 -2.927 3.268) 4.422 4.912 ( -3.955 -8.351 38.603) 39.694 5.186 ( 15.745 28.333 0.529) 32.418 6.691 ( -17.970 -11.646 -32.987) 39.328 9.587 ( 40.952 29.446 9.529) 51.332 10.581 ( 2.675 7.020 -5.283) 9.184 11.685 ( 2.314 -0.562 5.814) 6.282 11.752 ( -2.374 0.154 3.229) 4.011 15.215 ( 8.182 4.474 -17.720) 20.024 18.516 ( -5.412 -5.663 -6.621) 10.257 20.802 ( -12.075 -10.918 9.076) 18.638 ======================= Grid point 1410 (452/580) ======================= q-point: ( 0.61 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -12.511 -7.044 -3.418) 14.759 2.798 ( -0.848 -3.642 1.325) 3.968 4.694 ( -17.341 -18.179 19.555) 31.837 5.695 ( 11.432 23.578 0.621) 26.210 6.276 ( -9.944 -0.037 -20.731) 22.992 10.428 ( 21.882 13.576 9.792) 27.551 10.700 ( 3.668 10.713 -1.822) 11.469 11.698 ( -2.546 0.143 1.467) 2.942 11.907 ( 18.581 6.515 1.240) 19.729 15.234 ( -1.149 -2.146 -12.269) 12.508 18.409 ( -0.483 -1.876 -5.185) 5.535 20.517 ( -11.370 -9.831 5.426) 15.980 ======================= Grid point 1411 (453/580) ======================= q-point: ( 0.67 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -10.646 -4.056 -6.145) 12.944 2.750 ( -0.517 -3.818 0.341) 3.868 4.136 ( -24.550 -20.184 -3.868) 32.016 5.999 ( 5.513 5.748 0.574) 7.986 6.245 ( -1.767 20.459 -4.904) 21.113 10.688 ( 5.659 0.972 2.374) 6.213 10.894 ( 0.768 10.438 8.619) 13.558 11.651 ( -4.054 1.388 -0.534) 4.319 12.451 ( 29.925 8.909 -2.958) 31.362 15.084 ( -6.491 -5.061 -8.168) 11.596 18.422 ( 3.786 0.936 -2.399) 4.579 20.249 ( -10.295 -8.515 1.850) 13.488 ======================= Grid point 1412 (454/580) ======================= q-point: ( 0.72 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -5.381 0.717 -9.459) 10.906 2.709 ( 0.042 -3.662 -0.078) 3.663 3.514 ( -21.311 -14.608 -14.698) 29.724 6.118 ( 6.210 0.960 1.837) 6.547 6.424 ( -5.032 23.441 -0.896) 23.992 10.784 ( 4.940 -0.862 2.438) 5.576 10.988 ( -2.342 7.341 9.544) 12.266 11.579 ( -6.031 2.443 -2.129) 6.847 12.890 ( 13.450 -2.966 -5.354) 14.777 14.946 ( -0.138 -0.757 -5.269) 5.325 18.537 ( 7.475 3.027 0.373) 8.073 20.003 ( -9.062 -7.079 -0.983) 11.542 ======================= Grid point 1413 (455/580) ======================= q-point: (-0.22 0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 2.151 5.801 -12.709) 14.135 2.679 ( 0.536 -3.246 -0.040) 3.290 3.062 ( -12.373 -6.405 -13.315) 19.272 6.251 ( 5.042 2.232 1.530) 5.723 6.519 ( -6.525 19.388 -1.248) 20.495 10.861 ( 5.065 -3.344 3.286) 6.902 11.051 ( -1.828 7.064 8.697) 11.353 11.478 ( -8.236 3.895 -2.539) 9.458 12.736 ( -15.337 -18.317 -5.121) 24.433 15.087 ( 13.845 5.817 -5.768) 16.087 18.737 ( 10.566 4.370 1.303) 11.508 19.790 ( -7.554 -5.401 -1.638) 9.429 ======================= Grid point 1423 (456/580) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.000 27.748 17.053) 32.569 2.373 ( -0.000 15.470 19.044) 24.535 3.677 ( 0.000 10.077 -17.493) 20.188 3.932 ( 0.000 26.705 -5.234) 27.213 4.978 ( -0.000 24.045 61.811) 66.323 9.264 ( 0.000 -13.805 -29.419) 32.497 10.244 ( 0.000 2.548 -7.151) 7.591 11.907 ( -0.000 3.455 7.165) 7.955 11.921 ( -0.000 -2.983 6.362) 7.027 12.744 ( 0.000 67.623 -49.148) 83.597 20.064 ( -0.000 -34.595 2.875) 34.714 21.817 ( -0.000 -16.390 16.525) 23.275 ======================= Grid point 1424 (457/580) ======================= q-point: ( 0.39 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 10.558 19.472 17.055) 27.956 2.506 ( 0.444 -0.558 14.195) 14.213 3.755 ( 1.897 18.012 -18.004) 25.538 4.297 ( 8.559 20.547 16.875) 27.932 5.573 ( 14.300 37.317 39.794) 56.397 8.929 ( -9.851 -14.369 -29.247) 34.043 10.287 ( 3.522 3.815 -7.064) 8.767 11.866 ( -3.868 -1.524 6.225) 7.486 11.934 ( -1.395 -1.197 6.883) 7.125 13.443 ( 21.726 53.814 -43.464) 72.506 19.642 ( -9.635 -30.895 1.696) 32.407 21.664 ( -4.787 -15.698 15.869) 22.829 ======================= Grid point 1425 (458/580) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -3.479 -8.057 7.754) 11.711 2.696 ( 7.355 6.359 14.193) 17.204 4.049 ( 10.757 30.414 -14.068) 35.194 4.667 ( 6.999 7.220 37.704) 39.022 6.426 ( 25.870 38.218 14.086) 48.252 8.508 ( -11.624 -9.302 -24.499) 28.668 10.380 ( 3.943 5.698 -6.895) 9.775 11.803 ( -3.624 -2.023 6.485) 7.700 11.900 ( -2.735 -1.892 5.618) 6.528 14.171 ( 23.494 35.590 -33.964) 54.517 19.178 ( -11.696 -22.990 -1.345) 25.829 21.448 ( -7.774 -15.272 14.209) 22.262 ======================= Grid point 1426 (459/580) ======================= q-point: ( 0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -6.804 -10.523 3.533) 13.020 2.825 ( 1.659 -1.168 7.694) 7.957 4.599 ( 15.642 35.497 -6.261) 39.293 4.929 ( 3.901 -0.084 44.248) 44.420 7.011 ( 6.881 2.933 -18.691) 20.132 8.452 ( 13.190 23.178 -2.657) 26.800 10.487 ( 3.310 7.175 -6.213) 10.052 11.743 ( -3.371 -2.182 6.759) 7.862 11.847 ( -2.832 -1.721 4.068) 5.247 14.721 ( 18.319 20.416 -24.432) 36.733 18.790 ( -9.590 -15.020 -4.475) 18.373 21.187 ( -9.606 -14.793 11.805) 21.224 ======================= Grid point 1427 (460/580) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -9.306 -10.107 0.462) 13.747 2.821 ( -0.505 -4.020 3.702) 5.488 4.987 ( -0.285 -7.275 34.865) 35.617 5.278 ( 12.460 33.744 5.089) 36.329 6.733 ( -12.361 -11.630 -33.046) 37.149 9.273 ( 34.884 36.359 7.967) 51.013 10.595 ( 2.796 7.814 -5.199) 9.793 11.692 ( -2.037 -2.119 5.917) 6.607 11.803 ( -2.195 -0.278 2.813) 3.579 15.052 ( 10.846 8.695 -16.822) 21.822 18.521 ( -5.784 -8.538 -5.966) 11.914 20.902 ( -10.399 -13.914 8.897) 19.516 ======================= Grid point 1428 (461/580) ======================= q-point: ( 0.61 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -10.920 -8.022 -2.110) 13.713 2.769 ( -0.764 -5.369 1.741) 5.695 4.824 ( -12.811 -21.728 23.668) 34.588 5.794 ( 7.402 25.489 0.786) 26.554 6.403 ( -7.315 8.507 -23.033) 25.620 10.209 ( 28.378 25.187 8.568) 38.899 10.724 ( 5.103 10.165 -3.402) 11.871 11.695 ( 3.360 -0.951 2.755) 4.448 11.791 ( -0.072 1.746 1.969) 2.633 15.167 ( 2.845 0.217 -11.451) 11.801 18.379 ( -1.442 -3.792 -5.274) 6.654 20.612 ( -10.350 -12.570 5.674) 17.243 ======================= Grid point 1429 (462/580) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -11.026 -4.350 -4.683) 12.745 2.706 ( -0.176 -6.086 0.804) 6.141 4.306 ( -21.615 -25.073 1.292) 33.129 5.979 ( 2.087 2.844 -0.878) 3.635 6.562 ( -1.850 37.044 -5.258) 37.461 10.624 ( 5.297 4.245 2.414) 7.205 11.011 ( 5.593 15.731 6.394) 17.878 11.734 ( -2.109 3.066 0.215) 3.727 12.006 ( 24.213 2.815 -1.899) 24.450 15.099 ( -3.698 -4.463 -7.718) 9.652 18.357 ( 2.770 -0.550 -3.026) 4.139 20.333 ( -9.728 -10.839 2.455) 14.769 ======================= Grid point 1430 (463/580) ======================= q-point: ( 0.72 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -8.673 0.866 -7.668) 11.609 2.651 ( 0.775 -6.274 0.450) 6.338 3.678 ( -21.359 -18.871 -10.809) 30.482 6.042 ( 4.068 0.241 1.881) 4.489 6.861 ( -8.323 39.029 -1.280) 39.927 10.706 ( 3.287 -0.709 0.823) 3.462 11.166 ( -3.543 10.892 8.669) 14.365 11.712 ( -4.890 5.057 -0.719) 7.071 12.484 ( 25.965 -3.872 -4.455) 26.628 14.950 ( -4.215 -3.534 -5.115) 7.512 18.438 ( 6.470 1.510 -0.541) 6.666 20.077 ( -8.755 -8.822 -0.161) 12.430 ======================= Grid point 1431 (464/580) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -3.441 6.579 -10.799) 13.105 2.613 ( 1.772 -5.862 0.541) 6.148 3.179 ( -14.427 -8.842 -12.434) 20.998 6.145 ( 6.940 0.273 1.728) 7.158 7.020 ( -16.370 35.687 -0.795) 39.270 10.750 ( 4.099 -3.281 0.385) 5.264 11.220 ( -4.519 9.450 8.657) 13.589 11.663 ( -7.019 6.645 -1.199) 9.740 12.637 ( 3.935 -18.195 -4.605) 19.177 14.932 ( 6.121 2.167 -4.633) 7.977 18.599 ( 9.475 2.483 0.476) 9.806 19.856 ( -7.371 -6.440 -0.999) 9.839 ======================= Grid point 1442 (465/580) ======================= q-point: ( 0.39 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -0.000 16.927 16.593) 23.703 2.500 ( -0.000 -8.106 10.943) 13.618 3.862 ( 0.000 21.099 -17.780) 27.592 4.507 ( -0.000 19.344 25.005) 31.614 5.977 ( -0.000 42.750 31.217) 52.934 8.776 ( 0.000 -13.275 -30.829) 33.566 10.268 ( 0.000 4.094 -5.893) 7.176 11.886 ( -0.000 -4.214 5.347) 6.808 11.954 ( -0.000 -2.091 6.211) 6.554 13.682 ( 0.000 53.102 -37.133) 64.798 19.413 ( -0.000 -30.408 0.831) 30.419 21.590 ( -0.000 -16.944 14.637) 22.390 ======================= Grid point 1443 (466/580) ======================= q-point: ( 0.44 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -2.203 -11.844 7.444) 14.161 2.695 ( 4.919 6.742 13.353) 15.747 4.127 ( 8.724 29.347 -14.406) 33.836 4.785 ( 2.983 8.752 37.041) 38.178 6.560 ( 9.102 36.943 12.434) 40.028 8.517 ( -6.267 -2.910 -25.330) 26.256 10.335 ( 4.229 5.087 -5.633) 8.688 11.842 ( -1.842 -3.922 5.109) 6.699 11.931 ( -1.495 -3.145 4.692) 5.843 14.156 ( 10.601 40.408 -28.969) 50.837 19.081 ( -5.384 -24.439 -1.182) 25.053 21.429 ( -3.789 -17.276 13.093) 22.006 ======================= Grid point 1444 (467/580) ======================= q-point: ( 0.50 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -3.846 -13.464 4.410) 14.680 2.814 ( 1.461 -0.581 7.812) 7.969 4.642 ( 16.322 32.060 -6.173) 36.502 5.016 ( 3.368 2.097 41.391) 41.581 6.899 ( 2.364 2.281 -16.354) 16.681 8.546 ( 5.361 30.170 -5.823) 31.191 10.460 ( 5.198 6.264 -5.277) 9.700 11.787 ( -2.230 -3.265 5.289) 6.603 11.879 ( -2.033 -3.121 3.109) 4.852 14.610 ( 12.057 25.591 -20.919) 35.184 18.758 ( -6.612 -16.705 -3.571) 18.317 21.205 ( -6.529 -17.034 11.051) 21.328 ======================= Grid point 1445 (468/580) ======================= q-point: ( 0.56 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -5.591 -12.823 1.885) 14.115 2.808 ( -1.184 -3.784 3.917) 5.573 5.009 ( 1.502 -7.987 32.517) 33.517 5.408 ( 14.672 32.926 6.727) 36.670 6.669 ( -6.623 -12.140 -31.605) 34.499 9.200 ( 21.574 43.588 5.010) 48.892 10.593 ( 4.167 6.701 -4.393) 9.032 11.731 ( -2.629 -2.921 4.933) 6.307 11.833 ( -1.178 -1.386 1.923) 2.647 14.930 ( 9.078 12.662 -14.158) 21.052 18.507 ( -5.225 -9.751 -5.093) 12.178 20.941 ( -8.179 -16.184 8.567) 20.055 ======================= Grid point 1446 (469/580) ======================= q-point: ( 0.61 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -7.216 -10.207 -0.410) 12.507 2.740 ( -1.890 -5.639 1.950) 6.258 4.866 ( -9.628 -24.787 26.121) 37.275 5.917 ( 4.292 19.110 -2.495) 19.744 6.499 ( 4.095 16.393 -20.627) 26.664 10.054 ( 25.719 35.683 6.228) 44.425 10.709 ( 4.004 5.770 -3.299) 7.760 11.679 ( -1.487 -1.835 3.054) 3.860 11.824 ( -0.444 0.877 1.568) 1.851 15.083 ( 4.105 2.846 -9.248) 10.511 18.352 ( -2.354 -4.546 -4.961) 7.129 20.661 ( -8.830 -14.718 5.773) 18.108 ======================= Grid point 1447 (470/580) ======================= q-point: ( 0.67 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -8.322 -5.700 -2.716) 10.446 2.652 ( -1.255 -7.085 1.089) 7.277 4.391 ( -17.822 -28.808 6.279) 34.452 5.976 ( -0.253 1.364 -3.421) 3.692 6.934 ( 6.340 43.468 -4.529) 44.160 10.625 ( 3.756 11.289 2.293) 12.116 10.972 ( 19.316 15.040 2.719) 24.631 11.692 ( 4.987 -0.074 -0.256) 4.994 11.840 ( 0.077 2.142 0.914) 2.331 15.078 ( -1.147 -3.053 -6.033) 6.858 18.301 ( 1.233 -1.132 -3.308) 3.707 20.384 ( -8.709 -12.702 2.920) 15.675 ======================= Grid point 1448 (471/580) ======================= q-point: ( 0.72 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -8.225 0.325 -5.231) 9.753 2.569 ( 0.224 -8.053 0.868) 8.103 3.796 ( -19.133 -22.630 -5.793) 30.195 5.993 ( 2.064 -0.279 0.958) 2.293 7.418 ( -3.650 47.808 -1.112) 47.960 10.679 ( -0.516 0.886 -0.275) 1.061 11.342 ( 1.940 12.038 7.874) 14.515 11.822 ( -0.428 5.538 -0.871) 5.623 11.963 ( 22.303 -6.009 -3.386) 23.345 14.971 ( -4.033 -3.981 -3.995) 6.934 18.346 ( 4.811 0.768 -1.166) 5.009 20.128 ( -8.046 -10.239 0.512) 13.032 ======================= Grid point 1449 (472/580) ======================= q-point: ( 0.78 0.39 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -6.164 6.646 -7.806) 11.962 2.510 ( 2.076 -8.177 1.076) 8.505 3.293 ( -14.590 -11.941 -9.483) 21.104 6.048 ( 4.461 -0.821 1.699) 4.844 7.727 ( -15.727 46.806 -0.215) 49.378 10.670 ( 1.260 -2.545 -1.011) 3.015 11.432 ( -4.789 9.774 7.921) 13.461 11.826 ( -4.317 6.007 -1.128) 7.483 12.232 ( 18.512 -17.806 -3.937) 25.985 14.885 ( -0.541 -0.284 -3.187) 3.245 18.467 ( 7.783 1.373 -0.082) 7.904 19.909 ( -6.849 -7.330 -0.521) 10.045 ======================= Grid point 1461 (473/580) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -0.000 -15.091 6.167) 16.302 2.753 ( -0.000 4.217 11.133) 11.905 4.294 ( 0.000 30.715 -12.877) 33.305 4.953 ( -0.000 2.924 41.613) 41.716 6.819 ( 0.000 19.919 -2.437) 20.067 8.548 ( 0.000 17.074 -18.043) 24.841 10.329 ( 0.000 5.449 -4.555) 7.102 11.827 ( -0.000 -4.821 4.561) 6.636 11.919 ( -0.000 -4.259 3.221) 5.340 14.377 ( 0.000 35.716 -22.497) 42.211 18.889 ( -0.000 -21.026 -1.913) 21.113 21.323 ( -0.000 -18.222 11.785) 21.701 ======================= Grid point 1462 (474/580) ======================= q-point: ( 0.50 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -1.552 -16.297 4.673) 17.024 2.817 ( 0.688 -0.146 7.370) 7.403 4.676 ( 11.338 30.355 -7.439) 33.246 5.105 ( 2.324 -3.196 43.457) 43.637 6.826 ( -2.360 -7.061 -22.487) 23.687 8.834 ( 2.401 43.924 -4.350) 44.204 10.416 ( 4.506 6.097 -4.100) 8.619 11.787 ( -0.626 -4.516 4.398) 6.335 11.874 ( -0.880 -4.364 1.943) 4.858 14.669 ( 4.487 25.314 -16.041) 30.303 18.670 ( -3.036 -14.933 -3.194) 15.569 21.147 ( -3.219 -18.316 10.124) 21.174 ======================= Grid point 1463 (475/580) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( -2.374 -15.855 3.148) 16.338 2.812 ( -1.515 -2.884 3.976) 5.140 5.000 ( 1.156 -8.116 28.701) 29.848 5.440 ( 18.571 25.108 10.392) 32.913 6.536 ( -5.192 -13.409 -31.405) 34.540 9.422 ( 9.234 50.193 1.691) 51.063 10.560 ( 5.543 6.685 -3.462) 9.349 11.743 ( -1.173 -4.191 3.984) 5.901 11.829 ( -0.245 -2.642 1.070) 2.861 14.906 ( 4.681 13.955 -10.413) 18.030 18.477 ( -3.848 -8.677 -4.257) 10.403 20.918 ( -5.569 -17.621 8.083) 20.171 ======================= Grid point 1464 (476/580) ======================= q-point: ( 0.61 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -2.921 -13.425 1.572) 13.829 2.740 ( -3.248 -4.603 1.916) 5.951 4.837 ( -7.830 -28.292 27.075) 39.935 6.003 ( 4.518 14.841 -3.782) 15.968 6.415 ( 16.071 14.841 -18.714) 28.788 10.108 ( 14.584 41.803 2.831) 44.364 10.697 ( 3.070 6.576 -2.252) 7.598 11.693 ( -1.240 -2.931 2.239) 3.891 11.826 ( 0.970 -0.258 1.185) 1.553 15.034 ( 2.639 4.296 -6.173) 7.970 18.341 ( -2.912 -3.705 -4.338) 6.405 20.661 ( -6.914 -16.167 5.730) 18.494 ======================= Grid point 1465 (477/580) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -3.426 -8.647 -0.156) 9.303 2.629 ( -3.609 -6.250 0.928) 7.277 4.390 ( -14.008 -32.081 10.708) 36.607 5.992 ( -2.005 0.878 -5.890) 6.283 7.098 ( 22.611 39.165 -3.550) 45.362 10.749 ( 17.307 27.405 3.074) 32.558 10.768 ( -0.531 3.940 -1.105) 4.126 11.670 ( 0.023 -0.025 0.466) 0.467 11.856 ( 1.115 1.356 0.902) 1.974 15.048 ( -0.244 -2.026 -3.517) 4.066 18.277 ( -0.657 -0.420 -3.185) 3.279 20.399 ( -7.334 -14.024 3.250) 16.156 ======================= Grid point 1466 (478/580) ======================= q-point: ( 0.72 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -4.003 -1.758 -2.140) 4.868 2.505 ( -2.414 -8.005 0.703) 8.391 3.846 ( -15.626 -25.777 -0.285) 30.145 5.972 ( 0.191 -0.110 -0.598) 0.637 7.836 ( 12.545 46.489 -0.988) 48.162 10.748 ( -4.611 2.327 -0.738) 5.217 11.254 ( 18.373 7.728 3.623) 20.259 11.695 ( 1.983 1.417 -0.917) 2.604 11.890 ( 0.337 2.642 0.002) 2.664 14.980 ( -2.499 -3.760 -2.133) 4.994 18.288 ( 2.294 1.252 -1.388) 2.959 20.153 ( -7.018 -11.305 1.033) 13.346 ======================= Grid point 1467 (479/580) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -4.501 5.729 -4.303) 8.461 2.400 ( 0.237 -9.386 1.060) 9.448 3.375 ( -12.935 -14.934 -5.096) 20.404 5.987 ( 2.036 -0.922 1.064) 2.475 8.414 ( -3.547 51.073 0.329) 51.197 10.668 ( -4.155 -1.031 -1.514) 4.541 11.540 ( 10.170 -3.326 5.217) 11.904 11.745 ( 6.832 -7.638 -1.479) 10.353 11.926 ( -0.054 5.065 -1.723) 5.350 14.899 ( -2.291 -1.316 -1.606) 3.091 18.366 ( 5.132 1.536 -0.212) 5.361 19.942 ( -6.044 -8.096 -0.209) 10.105 ======================= Grid point 1480 (480/580) ======================= q-point: ( 0.50 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -0.000 -17.989 4.488) 18.541 2.830 ( -0.000 -0.954 5.896) 5.973 4.856 ( 0.000 30.808 -8.067) 31.846 5.146 ( -0.000 -13.689 46.575) 48.545 6.655 ( 0.000 -14.264 -29.466) 32.737 9.298 ( 0.000 53.555 -2.197) 53.600 10.424 ( 0.000 6.401 -3.201) 7.157 11.757 ( -0.000 -4.875 3.991) 6.300 11.841 ( -0.000 -4.342 1.217) 4.509 14.819 ( 0.000 19.537 -11.042) 22.442 18.554 ( -0.000 -10.696 -3.367) 11.214 21.019 ( -0.000 -18.701 8.923) 20.721 ======================= Grid point 1481 (481/580) ======================= q-point: ( 0.56 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -0.555 -18.134 4.061) 18.592 2.823 ( -1.076 -2.305 3.768) 4.546 5.011 ( -4.241 -14.899 30.511) 34.219 5.355 ( 18.377 19.013 7.260) 27.421 6.383 ( -3.411 -11.469 -30.484) 32.748 9.852 ( 1.951 52.490 -1.304) 52.542 10.527 ( 4.886 7.498 -2.735) 9.358 11.721 ( -0.146 -4.617 3.707) 5.923 11.806 ( -0.099 -2.413 0.920) 2.584 14.960 ( 1.194 11.235 -6.559) 13.064 18.441 ( -1.967 -5.808 -3.736) 7.180 20.836 ( -2.745 -18.220 7.385) 19.850 ======================= Grid point 1482 (482/580) ======================= q-point: ( 0.61 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.114 -16.365 3.463) 16.728 2.766 ( -3.267 -3.413 1.902) 5.093 4.751 ( -7.440 -33.230 26.812) 43.342 6.001 ( 19.677 22.177 2.629) 29.764 6.188 ( 6.509 1.156 -23.269) 24.190 10.353 ( 3.992 34.429 -0.828) 34.669 10.729 ( 5.734 17.120 -2.523) 18.230 11.684 ( -0.711 -2.934 2.919) 4.199 11.804 ( 0.944 -0.091 1.111) 1.460 15.032 ( 0.549 3.173 -3.045) 4.432 18.350 ( -2.683 -1.618 -3.706) 4.853 20.614 ( -4.680 -16.896 5.523) 18.381 ======================= Grid point 1483 (483/580) ======================= q-point: ( 0.67 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.911 -12.135 2.656) 12.456 2.656 ( -5.122 -4.482 0.665) 6.838 4.307 ( -10.579 -35.087 14.083) 39.260 6.022 ( -2.796 0.917 -7.468) 8.027 6.911 ( 35.634 29.138 -2.272) 46.086 10.636 ( 6.401 6.100 -0.001) 8.842 11.041 ( 0.891 31.066 -2.270) 31.162 11.666 ( -0.469 0.218 1.839) 1.911 11.838 ( 1.904 0.666 1.071) 2.284 15.026 ( -0.617 -2.544 -0.861) 2.756 18.296 ( -2.088 1.313 -2.845) 3.766 20.379 ( -5.666 -14.793 3.449) 16.212 ======================= Grid point 1484 (484/580) ======================= q-point: ( 0.72 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 1.809 -5.399 1.539) 5.898 2.509 ( -5.799 -5.890 0.025) 8.266 3.819 ( -11.575 -28.228 5.110) 30.934 5.980 ( -1.355 0.589 -2.219) 2.666 7.836 ( 33.873 34.408 -0.931) 48.293 10.741 ( 4.498 -3.149 0.556) 5.519 11.279 ( -4.758 20.941 -1.019) 21.499 11.690 ( 1.620 1.884 0.160) 2.489 11.886 ( 2.340 1.170 0.790) 2.732 14.969 ( -1.319 -4.235 0.005) 4.436 18.288 ( -0.415 2.838 -1.319) 3.157 20.151 ( -5.759 -12.031 1.435) 13.415 ======================= Grid point 1485 (485/580) ======================= q-point: ( 0.78 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 1.585 2.745 -0.000) 3.169 2.347 ( -4.551 -7.882 -0.000) 9.102 3.405 ( -9.999 -17.318 -0.000) 19.998 5.966 ( -0.094 -0.162 -0.000) 0.187 8.732 ( 24.197 41.911 -0.000) 48.395 10.742 ( -1.420 -2.460 -0.000) 2.841 11.267 ( -3.684 -6.380 -0.000) 7.367 11.750 ( 1.775 3.074 -0.000) 3.550 11.947 ( 1.764 3.055 0.000) 3.528 14.912 ( -1.223 -2.118 -0.000) 2.446 18.328 ( 1.741 3.016 -0.000) 3.483 19.954 ( -5.055 -8.756 -0.000) 10.110 ======================= Grid point 1500 (486/580) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -0.000 -19.042 4.698) 19.613 2.822 ( -0.000 -2.340 3.021) 3.822 4.934 ( -0.000 -35.871 37.071) 51.584 5.387 ( 0.000 25.949 -5.199) 26.465 6.234 ( 0.000 -5.497 -24.453) 25.063 10.348 ( 0.000 48.392 -4.355) 48.588 10.539 ( 0.000 6.745 -2.042) 7.047 11.685 ( -0.000 -4.692 3.566) 5.893 11.809 ( -0.000 2.421 1.987) 3.132 15.023 ( 0.000 5.743 -3.123) 6.537 18.406 ( 0.000 -2.293 -3.527) 4.207 20.700 ( -0.000 -17.975 6.401) 19.081 ======================= Grid point 1501 (487/580) ======================= q-point: ( 0.61 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.763 -18.037 5.162) 18.776 2.789 ( -1.985 -2.700 1.861) 3.833 4.590 ( -5.650 -40.067 25.403) 47.776 5.811 ( 21.236 22.040 -2.744) 30.729 6.123 ( -2.040 -0.300 -14.798) 14.941 10.570 ( -1.835 11.545 -1.752) 11.821 10.834 ( 7.631 29.470 -6.892) 31.213 11.663 ( 1.301 -3.501 3.613) 5.197 11.867 ( -2.552 11.264 3.520) 12.074 15.043 ( -0.342 -0.286 -0.376) 0.583 18.373 ( -1.575 0.922 -3.282) 3.755 20.523 ( -2.280 -16.881 5.097) 17.780 ======================= Grid point 1502 (488/580) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 2.819 -14.456 5.383) 15.682 2.707 ( -4.523 -3.123 0.690) 5.539 4.147 ( -7.307 -37.633 16.266) 41.644 6.055 ( -2.324 1.561 -7.900) 8.381 6.517 ( 35.168 20.779 -0.758) 40.854 10.639 ( 0.300 5.080 -0.324) 5.099 11.185 ( 8.951 16.786 -9.342) 21.193 11.698 ( 3.281 0.309 3.860) 5.075 11.943 ( -8.089 17.859 4.209) 20.052 15.006 ( -0.946 -4.638 1.377) 4.930 18.351 ( -2.332 3.385 -2.563) 4.844 20.323 ( -3.774 -14.982 3.501) 15.842 ======================= Grid point 1503 (489/580) ======================= q-point: ( 0.72 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 5.379 -8.279 5.130) 11.126 2.575 ( -6.821 -3.660 -0.289) 7.747 3.718 ( -7.530 -29.647 9.846) 32.133 6.014 ( -2.246 1.711 -3.298) 4.342 7.414 ( 43.408 21.086 -0.410) 48.260 10.672 ( 0.671 -0.276 0.817) 1.093 11.427 ( 8.480 7.820 -9.091) 14.687 11.800 ( 3.671 4.531 3.561) 6.832 11.928 ( -14.411 13.839 3.507) 20.285 14.942 ( -0.781 -5.349 1.969) 5.754 18.347 ( -2.138 4.861 -1.247) 5.455 20.122 ( -4.341 -12.395 1.761) 13.250 ======================= Grid point 1520 (490/580) ======================= q-point: ( 0.61 0.61 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.000 -17.763 6.764) 19.008 2.787 ( -0.000 -2.427 1.520) 2.864 4.296 ( -0.000 -42.780 21.613) 47.930 5.813 ( 0.000 19.104 -3.186) 19.368 6.110 ( 0.000 1.780 -8.784) 8.963 10.662 ( 0.000 6.464 -1.352) 6.604 10.976 ( 0.000 16.946 -10.391) 19.878 11.615 ( -0.000 -4.644 3.302) 5.698 12.112 ( 0.000 26.428 5.777) 27.052 15.026 ( -0.000 -4.371 1.691) 4.687 18.399 ( 0.000 3.316 -2.963) 4.447 20.392 ( -0.000 -16.092 4.388) 16.679 ======================= Grid point 1521 (491/580) ======================= q-point: ( 0.67 0.61 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 2.424 -14.679 8.116) 16.948 2.745 ( -2.560 -2.376 0.824) 3.588 3.914 ( -3.414 -38.271 17.347) 42.158 6.075 ( 1.205 4.771 -7.080) 8.622 6.196 ( 19.094 13.546 0.516) 23.416 10.706 ( -1.538 5.508 -0.816) 5.777 11.110 ( 6.470 5.990 -10.986) 14.087 11.615 ( 3.972 -3.669 3.071) 6.218 12.363 ( -7.017 29.009 5.711) 30.387 14.970 ( -0.599 -6.713 3.040) 7.393 18.420 ( -1.431 5.326 -2.413) 6.020 20.234 ( -1.803 -14.544 3.356) 15.034 ======================= Grid point 1523 (492/580) ======================= q-point: (-0.28 -0.39 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 5.912 -8.684 8.579) 13.564 2.653 ( -5.442 -2.378 -0.075) 5.940 3.557 ( -3.823 -29.372 13.513) 32.557 6.069 ( -2.334 3.347 -3.475) 5.360 6.853 ( 38.107 12.603 0.292) 40.138 10.708 ( -2.725 2.464 0.188) 3.679 11.259 ( 10.260 2.011 -9.995) 14.464 11.698 ( 7.332 -1.754 2.122) 7.831 12.437 ( -16.022 20.381 4.976) 26.398 14.907 ( -0.502 -5.109 3.534) 6.232 18.442 ( -2.335 6.776 -1.365) 7.296 20.066 ( -2.831 -12.330 2.019) 12.811 ======================= Grid point 1541 (493/580) ======================= q-point: (-0.33 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -0.000 -11.895 10.628) 15.951 2.749 ( -0.000 -1.996 0.735) 2.128 3.629 ( -0.000 -34.516 17.242) 38.583 6.102 ( 0.000 11.157 -1.678) 11.282 6.139 ( 0.000 4.456 -2.429) 5.075 10.778 ( 0.000 5.897 -1.246) 6.027 11.054 ( 0.000 2.365 -11.337) 11.581 11.540 ( -0.000 -5.009 3.304) 6.000 12.722 ( 0.000 24.044 5.578) 24.682 14.920 ( -0.000 -5.934 4.146) 7.239 18.488 ( 0.000 7.047 -2.191) 7.380 20.119 ( -0.000 -13.455 2.936) 13.772 ======================= Grid point 1542 (494/580) ======================= q-point: (-0.28 -0.33 -0.78) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 3.893 -6.005 11.777) 13.781 2.707 ( -2.934 -1.761 0.271) 3.433 3.363 ( -0.985 -26.433 15.665) 30.742 6.140 ( -2.046 5.468 -2.607) 6.394 6.417 ( 22.485 7.489 0.508) 23.705 10.798 ( -3.384 4.355 -0.946) 5.596 11.090 ( 6.416 1.116 -10.781) 12.595 11.555 ( 5.916 -4.270 2.738) 7.793 12.838 ( -9.102 9.960 5.236) 14.472 14.896 ( -0.381 -0.287 4.693) 4.717 18.547 ( -1.401 8.495 -1.598) 8.757 19.988 ( -1.328 -11.772 2.164) 12.043 ======================= Grid point 1561 (495/580) ======================= q-point: (-0.28 -0.28 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.000 -0.642 13.484) 13.500 2.718 ( -0.000 -1.450 0.372) 1.497 3.183 ( -0.000 -20.639 15.689) 25.926 6.231 ( 0.000 2.435 -0.890) 2.592 6.261 ( 0.000 8.924 -0.103) 8.925 10.883 ( 0.000 5.575 -1.611) 5.803 11.003 ( 0.000 0.638 -11.679) 11.697 11.455 ( -0.000 -5.856 3.663) 6.907 12.949 ( -0.000 -7.606 5.306) 9.274 14.959 ( -0.000 8.758 5.476) 10.329 18.647 ( 0.000 10.063 -1.677) 10.202 19.893 ( -0.000 -10.721 2.091) 10.923 ======================= Grid point 1734 (496/580) ======================= q-point: ( 0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.000 0.000 19.373) 19.373 0.974 ( -0.000 0.000 19.373) 19.373 3.533 ( 0.000 -0.000 -15.652) 15.652 3.533 ( 0.000 -0.000 -15.652) 15.652 4.406 ( -0.000 0.000 84.417) 84.417 9.901 ( 0.000 -0.000 -43.278) 43.278 10.226 ( 0.000 -0.000 -8.122) 8.122 10.226 ( 0.000 -0.000 -8.122) 8.122 11.956 ( -0.000 0.000 7.296) 7.296 11.956 ( -0.000 0.000 7.296) 7.296 20.934 ( -0.000 0.000 0.417) 0.417 22.304 ( -0.000 0.000 2.172) 2.172 ======================= Grid point 1735 (497/580) ======================= q-point: ( 0.33 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 23.322 13.465 17.694) 32.223 1.667 ( 38.678 22.331 17.995) 48.150 3.470 ( 0.538 0.311 -16.252) 16.264 3.607 ( 10.744 6.203 -18.028) 21.884 4.735 ( 5.403 3.119 80.600) 80.841 9.479 ( -12.966 -7.486 -31.165) 34.575 10.221 ( 1.475 0.852 -7.844) 8.027 11.105 ( 53.970 31.160 -30.049) 69.185 11.962 ( -1.346 -0.777 6.899) 7.072 12.042 ( 9.314 5.377 0.340) 10.760 20.687 ( -20.466 -11.816 0.912) 23.650 22.141 ( -12.291 -7.096 9.449) 17.050 ======================= Grid point 1736 (498/580) ======================= q-point: ( 0.39 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 26.836 15.494 18.565) 36.124 2.390 ( 14.324 8.270 17.799) 24.298 3.463 ( 4.298 2.481 -17.979) 18.652 4.002 ( 27.067 15.627 -9.115) 32.556 5.231 ( 18.662 10.774 65.086) 68.561 9.063 ( -14.942 -8.627 -30.928) 35.415 10.244 ( 2.646 1.527 -7.415) 8.020 11.746 ( 5.862 3.384 3.093) 7.442 11.940 ( -2.332 -1.347 6.239) 6.795 12.762 ( 53.768 31.043 -40.203) 73.965 20.095 ( -28.553 -16.485 1.848) 33.022 21.884 ( -13.048 -7.533 14.196) 20.700 ======================= Grid point 1737 (499/580) ======================= q-point: ( 0.44 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -4.267 -2.463 9.515) 10.714 2.611 ( 16.341 9.435 18.936) 26.732 3.611 ( 15.545 8.975 -17.979) 25.405 4.593 ( 17.974 10.377 24.885) 32.404 6.085 ( 40.193 23.205 30.615) 55.599 8.586 ( -16.913 -9.765 -29.161) 35.097 10.295 ( 3.756 2.169 -6.837) 8.097 11.781 ( -2.039 -1.177 8.209) 8.540 11.897 ( -2.962 -1.710 5.376) 6.372 13.805 ( 44.771 25.849 -37.814) 64.051 19.465 ( -25.051 -14.463 -0.367) 28.929 21.621 ( -13.809 -7.973 13.752) 21.057 ======================= Grid point 1738 (500/580) ======================= q-point: ( 0.50 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -10.363 -5.983 3.837) 12.566 2.860 ( 2.675 1.544 10.144) 10.604 4.085 ( 27.175 15.689 -8.760) 32.579 4.975 ( 6.208 3.584 42.170) 42.775 6.999 ( 22.020 12.713 -6.445) 26.231 8.279 ( 7.454 4.304 -11.895) 14.682 10.371 ( 4.586 2.648 -6.072) 8.056 11.744 ( -3.049 -1.760 8.220) 8.942 11.841 ( -3.168 -1.829 4.330) 5.668 14.560 ( 29.838 17.227 -27.916) 44.344 18.959 ( -17.878 -10.322 -3.750) 20.981 21.333 ( -14.577 -8.416 11.536) 20.406 ======================= Grid point 1739 (501/580) ======================= q-point: ( 0.56 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -12.989 -7.499 0.291) 15.001 2.886 ( -1.321 -0.763 3.967) 4.250 4.713 ( 27.391 15.814 -2.454) 31.724 5.165 ( -2.537 -1.465 44.226) 44.322 6.817 ( -19.011 -10.976 -34.889) 41.220 9.045 ( 46.018 26.569 8.792) 53.860 10.464 ( 4.932 2.847 -4.989) 7.571 11.715 ( -0.955 -0.551 6.761) 6.850 11.781 ( -3.030 -1.750 3.020) 4.622 15.011 ( 16.095 9.292 -19.438) 26.893 18.616 ( -10.446 -6.031 -5.556) 13.280 21.027 ( -14.672 -8.471 8.601) 19.000 ======================= Grid point 1740 (502/580) ======================= q-point: ( 0.61 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -13.828 -7.983 -2.435) 16.151 2.851 ( -2.193 -1.266 1.317) 2.854 5.074 ( -18.187 -10.500 30.534) 37.059 5.300 ( 23.193 13.391 0.039) 26.781 6.287 ( -12.986 -7.498 -29.591) 33.173 10.093 ( 37.834 21.843 10.955) 45.039 10.563 ( 4.836 2.792 -3.448) 6.563 11.721 ( -2.857 -1.649 1.338) 3.560 11.795 ( 8.273 4.776 3.034) 10.023 15.188 ( 4.149 2.395 -13.426) 14.255 18.435 ( -3.878 -2.239 -4.937) 6.665 20.716 ( -14.043 -8.108 5.291) 17.057 ======================= Grid point 1741 (503/580) ======================= q-point: ( 0.67 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -12.649 -7.303 -5.217) 15.510 2.801 ( -2.178 -1.257 0.122) 2.518 4.521 ( -31.031 -17.916 0.777) 35.840 5.771 ( 17.115 9.881 0.926) 19.784 6.090 ( -0.533 -0.307 -7.964) 7.988 10.664 ( 4.628 2.672 -1.505) 5.552 10.735 ( 13.906 8.028 13.150) 20.754 11.654 ( -3.077 -1.777 -0.649) 3.612 12.193 ( 25.329 14.623 -2.263) 29.334 15.137 ( -4.678 -2.701 -9.172) 10.644 18.396 ( 1.442 0.832 -2.561) 3.054 20.416 ( -12.849 -7.419 1.930) 14.962 ======================= Grid point 1742 (504/580) ======================= q-point: ( 0.72 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -8.409 -4.855 -8.896) 13.170 2.755 ( -1.780 -1.028 -0.359) 2.086 3.784 ( -28.623 -16.525 -14.004) 35.895 6.088 ( 9.911 5.722 1.087) 11.496 6.127 ( 3.948 2.279 0.048) 4.559 10.769 ( 4.636 2.677 0.441) 5.371 10.936 ( 2.473 1.428 12.601) 12.920 11.569 ( -3.911 -2.258 -2.560) 5.191 12.774 ( 21.086 12.174 -4.955) 24.847 14.970 ( -5.489 -3.169 -6.032) 8.750 18.476 ( 5.577 3.220 0.207) 6.443 20.138 ( -11.275 -6.510 -0.918) 13.052 ======================= Grid point 1753 (505/580) ======================= q-point: ( 0.33 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.000 25.012 17.525) 30.541 1.762 ( 0.000 47.170 18.673) 50.731 3.479 ( 0.000 8.569 -18.885) 20.739 3.485 ( 0.000 4.189 -16.810) 17.324 4.993 ( -0.000 4.586 79.984) 80.115 9.400 ( 0.000 -11.263 -36.132) 37.847 10.184 ( 0.000 1.105 -6.859) 6.947 11.036 ( 0.000 66.975 -28.814) 72.910 11.986 ( -0.000 -1.506 6.174) 6.355 12.016 ( -0.000 2.223 3.949) 4.532 20.688 ( -0.000 -23.805 0.798) 23.819 22.166 ( -0.000 -13.118 8.250) 15.497 ======================= Grid point 1754 (506/580) ======================= q-point: ( 0.39 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 18.067 25.398 17.916) 35.951 2.369 ( 10.518 23.329 20.548) 32.819 3.438 ( -1.490 7.912 -18.102) 19.812 3.738 ( 18.350 23.263 -18.921) 35.155 5.359 ( 6.334 8.965 73.253) 74.071 9.075 ( -9.705 -10.614 -35.861) 38.638 10.203 ( 2.198 2.315 -6.630) 7.359 11.741 ( 7.412 28.400 -7.014) 30.178 11.979 ( -1.258 -1.445 5.852) 6.158 12.271 ( 28.253 33.142 -24.581) 50.009 20.269 ( -15.832 -28.557 1.537) 32.688 21.999 ( -6.776 -12.705 11.581) 18.478 ======================= Grid point 1755 (507/580) ======================= q-point: ( 0.44 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 14.547 12.404 17.702) 26.055 2.597 ( 0.939 3.023 14.260) 14.607 3.508 ( 5.219 16.072 -19.365) 25.701 4.405 ( 25.809 25.335 2.754) 36.271 5.926 ( 20.150 19.630 52.878) 59.895 8.640 ( -13.616 -11.607 -34.325) 38.708 10.256 ( 2.609 4.175 -6.308) 8.002 11.842 ( -2.581 0.981 6.915) 7.446 11.949 ( -2.720 -1.336 5.239) 6.053 13.259 ( 40.600 41.514 -35.449) 68.033 19.671 ( -20.328 -24.869 0.554) 32.125 21.769 ( -9.773 -12.156 12.047) 19.708 ======================= Grid point 1756 (508/580) ======================= q-point: ( 0.50 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -7.581 -7.706 5.257) 12.020 2.851 ( 4.615 2.269 12.499) 13.515 3.893 ( 17.881 29.174 -11.274) 36.027 4.979 ( 13.496 9.384 29.570) 33.832 6.729 ( 26.875 20.389 17.093) 37.817 8.234 ( -6.232 -2.867 -25.309) 26.223 10.334 ( 2.855 5.664 -5.667) 8.506 11.807 ( -3.170 -1.790 7.466) 8.306 11.895 ( -3.408 -1.652 4.083) 5.570 14.142 ( 32.114 27.864 -27.444) 50.605 19.119 ( -17.387 -18.058 -2.229) 25.167 21.496 ( -11.756 -12.146 10.453) 19.874 ======================= Grid point 1757 (509/580) ======================= q-point: ( 0.56 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -11.050 -9.105 1.393) 14.386 2.898 ( -0.338 -2.255 4.667) 5.194 4.527 ( 20.562 30.861 -3.107) 37.213 5.282 ( 3.569 -0.510 40.741) 40.900 6.873 ( -11.789 -11.021 -28.327) 32.602 8.623 ( 36.345 29.382 4.754) 46.977 10.429 ( 3.024 6.526 -4.757) 8.623 11.756 ( -2.724 -2.100 6.885) 7.696 11.831 ( -3.287 -1.486 2.642) 4.471 14.744 ( 20.868 15.746 -19.161) 32.412 18.708 ( -11.631 -11.322 -4.415) 16.822 21.191 ( -12.804 -11.940 7.955) 19.230 ======================= Grid point 1758 (510/580) ======================= q-point: ( 0.61 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -13.040 -8.941 -1.377) 15.871 2.862 ( -1.332 -3.303 1.517) 3.871 5.126 ( 13.053 17.969 3.663) 22.510 5.351 ( -5.423 -1.845 34.142) 34.619 6.353 ( -15.650 -8.781 -35.614) 39.880 9.680 ( 41.771 29.408 9.183) 51.903 10.537 ( 3.168 7.153 -3.478) 8.561 11.734 ( 0.589 -1.577 3.968) 4.310 11.776 ( -2.247 0.155 1.811) 2.890 15.063 ( 9.648 6.072 -13.013) 17.300 18.461 ( -5.379 -5.748 -4.534) 9.085 20.871 ( -12.952 -11.310 5.022) 17.913 ======================= Grid point 1759 (511/580) ======================= q-point: ( 0.67 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -13.623 -7.563 -3.978) 16.081 2.806 ( -1.252 -3.658 0.219) 3.872 4.821 ( -26.400 -24.699 5.202) 36.525 5.719 ( 10.377 24.277 4.465) 26.777 6.102 ( -2.488 4.525 -13.503) 14.456 10.511 ( 18.757 9.607 6.491) 22.051 10.704 ( 8.857 14.916 3.190) 17.639 11.704 ( -3.176 -0.017 -0.370) 3.198 11.910 ( 16.399 5.393 -0.602) 17.273 15.129 ( -0.149 -1.006 -8.854) 8.912 18.370 ( 0.236 -1.585 -2.695) 3.136 20.553 ( -12.366 -10.254 1.961) 16.184 ======================= Grid point 1760 (512/580) ======================= q-point: ( 0.72 0.33 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -12.074 -4.619 -7.238) 14.815 2.751 ( -0.738 -3.674 -0.268) 3.757 4.058 ( -29.525 -22.284 -11.664) 38.786 6.021 ( 5.177 4.818 3.915) 8.084 6.209 ( 0.798 22.584 -2.385) 22.724 10.700 ( 5.337 1.477 0.532) 5.563 10.997 ( 1.823 9.248 11.514) 14.880 11.639 ( -4.774 1.502 -1.852) 5.336 12.414 ( 29.046 8.496 -4.541) 30.601 15.014 ( -5.684 -4.207 -5.941) 9.236 18.409 ( 4.713 1.273 -0.103) 4.883 20.254 ( -11.220 -8.834 -0.750) 14.300 ======================= Grid point 1772 (513/580) ======================= q-point: ( 0.39 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -0.000 28.000 18.195) 33.393 2.562 ( -0.000 11.445 19.211) 22.362 3.496 ( 0.000 9.505 -19.211) 21.433 3.811 ( 0.000 40.754 -16.074) 43.809 5.641 ( -0.000 11.531 69.791) 70.737 8.926 ( 0.000 -12.104 -39.204) 41.030 10.182 ( 0.000 2.647 -5.440) 6.050 11.973 ( -0.000 8.066 6.136) 10.135 11.976 ( -0.000 -3.081 4.938) 5.820 12.333 ( 0.000 61.422 -34.721) 70.557 20.086 ( -0.000 -34.301 1.653) 34.340 21.952 ( -0.000 -14.715 11.175) 18.477 ======================= Grid point 1773 (514/580) ======================= q-point: ( 0.44 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 9.428 17.049 18.094) 26.588 2.638 ( 0.246 -3.003 12.624) 12.978 3.568 ( 2.319 18.935 -19.973) 27.620 4.360 ( 14.610 39.477 -0.659) 42.099 6.064 ( 7.974 18.849 56.857) 60.429 8.596 ( -8.236 -11.878 -38.412) 41.041 10.227 ( 3.113 3.907 -5.168) 7.188 11.921 ( -3.399 -1.763 4.790) 6.133 11.994 ( -1.738 -1.408 5.266) 5.722 13.077 ( 22.315 55.667 -30.762) 67.402 19.655 ( -10.139 -31.584 0.977) 33.186 21.795 ( -4.750 -15.076 10.814) 19.152 ======================= Grid point 1774 (515/580) ======================= q-point: ( 0.50 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -4.950 -9.763 5.859) 12.416 2.831 ( 5.218 2.748 13.051) 14.321 3.914 ( 13.595 33.846 -13.028) 38.731 4.951 ( 13.377 19.251 20.136) 30.904 6.641 ( 15.296 19.682 29.113) 38.326 8.235 ( -7.069 -2.165 -30.878) 31.751 10.321 ( 3.776 5.789 -4.902) 8.473 11.861 ( -2.895 -2.384 5.183) 6.398 11.947 ( -3.000 -2.370 3.729) 5.341 13.886 ( 24.725 38.683 -23.796) 51.710 19.166 ( -12.737 -24.103 -1.039) 27.281 21.564 ( -8.032 -15.169 9.413) 19.575 ======================= Grid point 1775 (516/580) ======================= q-point: ( 0.56 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -7.981 -11.218 2.324) 13.963 2.890 ( 0.003 -2.837 5.239) 5.957 4.544 ( 17.911 37.802 -4.389) 42.060 5.323 ( 6.519 3.356 34.709) 35.475 6.831 ( -5.373 -10.806 -17.597) 21.338 8.428 ( 21.882 31.943 -1.907) 38.766 10.435 ( 3.348 7.313 -4.213) 9.080 11.805 ( -2.902 -2.598 5.726) 6.925 11.877 ( -3.064 -2.241 1.900) 4.245 14.518 ( 19.628 23.125 -16.607) 34.580 18.753 ( -10.511 -15.854 -3.091) 19.271 21.281 ( -10.127 -14.895 7.258) 19.420 ======================= Grid point 1776 (517/580) ======================= q-point: ( 0.61 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -10.398 -10.492 -0.216) 14.773 2.849 ( -1.292 -4.453 1.850) 4.992 5.155 ( 10.237 22.783 3.426) 25.211 5.495 ( 1.000 1.578 34.972) 35.022 6.396 ( -13.140 -10.428 -35.365) 39.141 9.345 ( 36.206 36.351 6.466) 51.712 10.554 ( 2.972 7.988 -3.212) 9.108 11.744 ( -2.533 -2.992 4.590) 6.036 11.822 ( -2.139 -0.359 0.936) 2.362 14.915 ( 11.755 10.676 -10.955) 19.292 18.474 ( -6.057 -8.842 -3.731) 11.348 20.969 ( -11.132 -14.109 4.690) 18.574 ======================= Grid point 1777 (518/580) ======================= q-point: ( 0.67 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -12.050 -8.330 -2.519) 14.864 2.780 ( -1.161 -5.341 0.502) 5.489 4.985 ( -20.295 -26.638 7.478) 34.313 5.837 ( 6.230 18.789 8.765) 21.649 6.198 ( -0.741 19.358 -17.894) 26.371 10.284 ( 28.293 23.827 6.505) 37.557 10.703 ( 7.099 11.277 -0.784) 13.349 11.711 ( 1.308 -1.728 0.591) 2.247 11.805 ( -0.065 1.500 0.894) 1.747 15.074 ( 3.349 1.600 -7.206) 8.106 18.340 ( -1.007 -3.694 -2.548) 4.599 20.650 ( -11.220 -12.786 1.969) 17.124 ======================= Grid point 1778 (519/580) ======================= q-point: ( 0.72 0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -12.399 -4.651 -5.134) 14.203 2.711 ( -0.394 -5.847 0.039) 5.860 4.271 ( -26.832 -26.596 -8.431) 38.708 5.994 ( 3.029 1.293 4.074) 5.239 6.525 ( -0.124 39.698 -2.312) 39.765 10.636 ( 4.474 3.381 0.467) 5.627 11.091 ( 7.981 15.944 9.404) 20.158 11.726 ( -2.019 3.148 -1.881) 4.186 11.980 ( 22.127 2.224 -3.289) 22.480 15.037 ( -3.366 -3.483 -4.818) 6.832 18.340 ( 3.544 -0.379 -0.340) 3.580 20.342 ( -10.578 -10.956 -0.519) 15.238 ======================= Grid point 1791 (520/580) ======================= q-point: ( 0.44 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -0.000 -10.671 8.168) 13.438 2.629 ( -0.000 14.572 17.936) 23.109 3.678 ( 0.000 23.346 -19.639) 30.507 4.661 ( 0.000 37.955 8.367) 38.867 6.375 ( -0.000 21.714 47.692) 52.403 8.431 ( 0.000 -8.933 -39.421) 40.420 10.219 ( 0.000 4.154 -3.961) 5.740 11.931 ( -0.000 -4.187 3.852) 5.690 12.002 ( -0.000 -2.890 3.349) 4.423 13.378 ( 0.000 55.926 -24.346) 60.995 19.420 ( -0.000 -31.419 0.764) 31.428 21.709 ( -0.000 -16.550 9.799) 19.234 ======================= Grid point 1792 (521/580) ======================= q-point: ( 0.50 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -2.768 -13.120 5.226) 14.391 2.823 ( 3.529 3.277 12.479) 13.376 3.985 ( 10.607 32.776 -14.022) 37.194 5.072 ( 5.095 22.024 21.405) 31.132 6.743 ( 4.038 13.273 24.140) 27.843 8.242 ( -2.937 7.908 -30.137) 31.296 10.290 ( 3.885 5.186 -3.555) 7.390 11.885 ( -1.574 -3.848 3.587) 5.491 11.964 ( -1.381 -3.813 1.939) 4.495 13.924 ( 10.926 43.375 -17.981) 48.209 19.074 ( -5.938 -25.628 -0.344) 26.309 21.534 ( -3.958 -17.130 8.409) 19.488 ======================= Grid point 1793 (522/580) ======================= q-point: ( 0.56 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -4.656 -13.914 2.940) 14.964 2.881 ( -0.035 -2.386 5.663) 6.145 4.576 ( 19.185 35.859 -6.146) 41.130 5.387 ( 4.270 6.877 32.090) 33.096 6.747 ( -5.390 -14.484 -13.928) 20.805 8.488 ( 11.226 39.491 -5.703) 41.450 10.419 ( 5.031 6.455 -3.153) 8.770 11.833 ( -1.708 -3.284 4.024) 5.467 11.897 ( -2.102 -3.769 0.579) 4.354 14.447 ( 12.552 28.229 -12.142) 33.195 18.732 ( -7.358 -17.672 -1.797) 19.227 21.291 ( -6.919 -17.012 6.533) 19.493 ======================= Grid point 1794 (523/580) ======================= q-point: ( 0.61 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -6.559 -12.926 1.054) 14.533 2.838 ( -1.959 -4.360 2.138) 5.236 5.189 ( 11.454 17.038 5.989) 21.386 5.601 ( 4.706 8.146 30.169) 31.602 6.352 ( -8.173 -13.259 -32.357) 35.910 9.238 ( 23.486 43.971 2.680) 49.923 10.559 ( 4.166 7.011 -2.376) 8.495 11.773 ( -2.699 -3.847 3.597) 5.918 11.842 ( -0.909 -1.250 -0.033) 1.546 14.823 ( 9.417 14.699 -7.450) 18.980 18.469 ( -5.662 -10.266 -2.564) 12.001 21.005 ( -8.772 -16.215 4.319) 18.935 ======================= Grid point 1795 (524/580) ======================= q-point: ( 0.67 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -8.342 -10.175 -0.755) 13.179 2.753 ( -2.217 -5.733 0.673) 6.183 5.053 ( -15.970 -28.259 10.035) 33.976 5.912 ( 2.190 8.322 1.972) 8.828 6.334 ( 10.917 30.447 -11.748) 34.413 10.103 ( 26.695 35.013 3.565) 44.173 10.686 ( 4.163 6.121 -1.368) 7.528 11.703 ( -1.999 -2.747 1.539) 3.730 11.833 ( -0.389 0.966 0.338) 1.095 15.016 ( 4.137 4.293 -4.385) 7.401 18.318 ( -2.218 -4.654 -1.973) 5.520 20.699 ( -9.572 -14.755 1.956) 17.696 ======================= Grid point 1796 (525/580) ======================= q-point: ( 0.72 0.44 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -9.661 -5.627 -2.741) 11.512 2.659 ( -1.354 -6.944 0.202) 7.077 4.400 ( -22.906 -29.527 -4.511) 37.641 5.971 ( 1.739 0.436 2.488) 3.066 6.906 ( 7.375 45.195 -1.212) 45.809 10.636 ( 2.407 9.370 0.302) 9.679 11.008 ( 23.175 16.423 4.010) 28.686 11.683 ( 2.781 -0.545 -1.449) 3.182 11.844 ( -0.156 2.067 -0.148) 2.079 15.035 ( -1.289 -2.056 -2.732) 3.654 18.283 ( 1.778 -1.100 -0.301) 2.112 20.397 ( -9.472 -12.662 -0.262) 15.815 ======================= Grid point 1811 (526/580) ======================= q-point: ( 0.50 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -0.000 -15.650 4.171) 16.197 2.857 ( -0.000 1.138 9.746) 9.812 4.170 ( 0.000 33.710 -11.939) 35.761 5.300 ( -0.000 13.654 28.217) 31.347 6.821 ( -0.000 -5.218 2.655) 5.854 8.365 ( 0.000 31.559 -18.468) 36.565 10.295 ( 0.000 5.467 -2.451) 5.991 11.864 ( -0.000 -4.655 3.021) 5.550 11.936 ( -0.000 -4.552 0.221) 4.558 14.205 ( 0.000 38.263 -12.168) 40.151 18.878 ( -0.000 -22.242 -0.352) 22.245 21.417 ( -0.000 -18.108 7.210) 19.491 ======================= Grid point 1812 (527/580) ======================= q-point: ( 0.56 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -1.917 -16.397 3.198) 16.815 2.881 ( -0.214 -1.909 5.501) 5.827 4.600 ( 13.557 33.501 -7.263) 36.863 5.502 ( 1.598 2.509 35.267) 35.392 6.611 ( -4.710 -20.471 -20.240) 29.170 8.784 ( 4.611 49.874 -5.630) 50.402 10.386 ( 4.297 6.142 -1.937) 7.742 11.823 ( -0.397 -4.348 2.941) 5.265 11.880 ( -0.921 -4.475 -0.742) 4.629 14.554 ( 4.604 27.446 -7.233) 28.754 18.650 ( -3.412 -15.993 -0.909) 16.378 21.224 ( -3.437 -18.222 5.683) 19.394 ======================= Grid point 1813 (528/580) ======================= q-point: ( 0.61 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -3.035 -15.648 2.241) 16.097 2.843 ( -2.259 -3.578 2.341) 4.836 5.151 ( 12.607 15.667 4.837) 20.683 5.666 ( 6.803 2.323 32.494) 33.279 6.217 ( -5.637 -14.700 -33.166) 36.713 9.424 ( 10.856 50.614 -1.247) 51.781 10.536 ( 5.523 6.818 -1.420) 8.888 11.774 ( -1.380 -4.770 2.152) 5.412 11.830 ( 0.041 -2.051 -0.562) 2.128 14.838 ( 4.722 15.627 -3.382) 16.671 18.449 ( -4.222 -9.403 -1.404) 10.402 20.977 ( -6.001 -17.524 3.873) 18.924 ======================= Grid point 1814 (529/580) ======================= q-point: ( 0.67 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -3.866 -13.015 1.214) 13.631 2.753 ( -3.610 -4.842 0.680) 6.078 5.040 ( -12.554 -30.871 12.387) 35.553 5.956 ( -0.901 4.134 -5.774) 7.158 6.293 ( 24.969 28.513 -4.433) 38.159 10.121 ( 15.785 41.136 -0.235) 44.062 10.682 ( 3.203 6.867 -0.663) 7.606 11.707 ( -1.496 -3.429 0.589) 3.787 11.833 ( 1.033 0.070 0.273) 1.071 14.999 ( 2.414 5.494 -0.960) 6.078 18.314 ( -2.946 -4.056 -1.151) 5.143 20.699 ( -7.517 -16.056 1.907) 17.831 ======================= Grid point 1815 (530/580) ======================= q-point: ( 0.72 0.50 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -4.681 -8.108 -0.000) 9.362 2.633 ( -3.650 -6.321 0.000) 7.299 4.444 ( -18.562 -32.150 -0.000) 37.124 5.962 ( 0.454 0.786 -0.000) 0.908 7.080 ( 23.031 39.891 -0.000) 46.062 10.761 ( 1.430 2.477 0.000) 2.860 10.766 ( 16.436 28.469 -0.000) 32.873 11.672 ( -0.228 -0.395 -0.000) 0.456 11.860 ( 0.873 1.512 0.000) 1.746 15.030 ( -0.709 -1.228 -0.000) 1.417 18.261 ( -0.317 -0.549 -0.000) 0.634 20.415 ( -8.004 -13.864 -0.000) 16.009 ======================= Grid point 1831 (531/580) ======================= q-point: ( 0.56 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -0.000 -17.754 3.242) 18.048 2.880 ( -0.000 -2.262 4.207) 4.776 4.783 ( 0.000 32.132 -6.632) 32.809 5.585 ( -0.000 -9.638 41.852) 42.948 6.358 ( 0.000 -20.437 -30.315) 36.560 9.263 ( 0.000 55.430 -4.905) 55.646 10.403 ( 0.000 6.329 -1.055) 6.417 11.788 ( -0.000 -4.605 2.420) 5.202 11.841 ( -0.000 -3.876 -1.199) 4.057 14.750 ( 0.000 21.138 -3.014) 21.352 18.535 ( -0.000 -11.744 -0.608) 11.760 21.086 ( -0.000 -18.550 4.608) 19.114 ======================= Grid point 1832 (532/580) ======================= q-point: ( 0.61 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -0.865 -17.610 3.185) 17.917 2.853 ( -1.542 -2.984 2.323) 4.084 5.149 ( 6.340 17.162 1.906) 18.395 5.578 ( 7.134 -19.028 32.791) 38.577 6.079 ( -2.936 -4.754 -30.375) 30.885 9.823 ( 2.956 52.258 -4.631) 52.546 10.510 ( 4.737 7.224 -0.711) 8.668 11.749 ( -0.319 -4.310 2.053) 4.784 11.806 ( -0.083 -1.447 -0.854) 1.683 14.928 ( 1.173 12.378 0.209) 12.435 18.420 ( -2.131 -6.685 -0.643) 7.046 20.888 ( -2.976 -18.019 3.289) 18.557 ======================= Grid point 1833 (533/580) ======================= q-point: ( 0.67 0.56 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.732 -15.593 3.040) 15.904 2.779 ( -3.695 -3.700 0.775) 5.287 4.955 ( -10.776 -34.942 13.180) 38.868 5.972 ( 3.299 4.977 -17.743) 18.720 6.064 ( 25.446 21.172 8.661) 34.216 10.333 ( 5.172 35.007 -3.438) 35.554 10.708 ( 6.121 14.933 -1.546) 16.213 11.707 ( -1.474 -1.723 1.486) 2.711 11.809 ( 1.036 0.474 -0.007) 1.139 15.028 ( 0.326 3.904 2.185) 4.486 18.330 ( -2.715 -2.207 -0.466) 3.530 20.650 ( -5.116 -16.660 1.793) 17.520 ======================= Grid point 1851 (534/580) ======================= q-point: ( 0.61 0.61 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.000 -18.179 3.951) 18.603 2.846 ( -0.000 -2.834 1.807) 3.361 5.247 ( -0.000 -43.540 23.464) 49.460 5.341 ( 0.000 26.635 -3.963) 26.928 6.028 ( 0.000 3.021 -14.410) 14.724 10.288 ( 0.000 46.732 -7.800) 47.378 10.529 ( 0.000 6.502 -0.082) 6.503 11.713 ( -0.000 -4.340 2.049) 4.799 11.820 ( 0.000 4.675 0.404) 4.692 15.022 ( 0.000 6.404 2.890) 7.026 18.387 ( -0.000 -3.181 -0.335) 3.198 20.744 ( -0.000 -17.691 2.522) 17.870 ======================= Grid point 1853 (535/580) ======================= q-point: (-0.33 -0.39 -0.72) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.460 -16.842 4.626) 17.472 2.802 ( -2.282 -2.962 0.900) 3.846 4.783 ( -7.724 -41.333 12.766) 43.944 5.773 ( 19.845 20.703 -5.319) 29.167 6.036 ( 1.020 4.156 -1.248) 4.457 10.552 ( -1.747 14.164 -2.346) 14.463 10.761 ( 8.357 24.258 -7.475) 26.724 11.691 ( 1.519 -3.186 2.099) 4.107 11.896 ( -3.161 14.139 2.222) 14.658 15.063 ( -0.472 -0.024 4.482) 4.507 18.357 ( -1.546 0.185 -0.144) 1.563 20.555 ( -2.513 -16.545 1.578) 16.809 ======================= Grid point 1872 (536/580) ======================= q-point: (-0.33 -0.33 -0.72) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -0.000 -16.104 6.065) 17.209 2.798 ( -0.000 -2.608 0.760) 2.716 4.465 ( -0.000 -42.348 12.018) 44.020 5.786 ( 0.000 19.586 -2.209) 19.711 6.058 ( 0.000 3.131 -1.339) 3.405 10.656 ( 0.000 6.022 0.152) 6.024 10.863 ( 0.000 16.417 -12.522) 20.647 11.641 ( -0.000 -4.210 2.037) 4.677 12.161 ( 0.000 27.718 4.197) 28.034 15.063 ( -0.000 -4.474 5.759) 7.292 18.384 ( 0.000 2.580 -0.061) 2.581 20.419 ( -0.000 -15.690 1.232) 15.738 ======================= Grid point 2084 (537/580) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.000 0.000 17.810) 17.810 1.157 ( -0.000 0.000 17.810) 17.810 3.377 ( 0.000 -0.000 -15.682) 15.682 3.377 ( 0.000 -0.000 -15.682) 15.682 5.217 ( -0.000 0.000 80.346) 80.346 9.444 ( 0.000 -0.000 -49.551) 49.551 10.154 ( 0.000 -0.000 -6.529) 6.529 10.154 ( 0.000 -0.000 -6.529) 6.529 12.021 ( -0.000 0.000 5.846) 5.846 12.021 ( -0.000 0.000 5.846) 5.846 20.937 ( -0.000 0.000 0.243) 0.243 22.325 ( -0.000 0.000 1.983) 1.983 ======================= Grid point 2085 (538/580) ======================= q-point: ( 0.39 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 23.248 13.422 16.591) 31.557 1.848 ( 40.151 23.181 18.533) 49.929 3.312 ( 0.042 0.024 -15.550) 15.551 3.420 ( 8.894 5.135 -19.595) 22.123 5.513 ( 3.460 1.997 77.232) 77.335 9.117 ( -10.267 -5.928 -42.247) 43.879 10.152 ( 1.409 0.813 -6.095) 6.308 10.856 ( 51.215 29.569 -20.390) 62.555 12.022 ( -1.378 -0.796 5.294) 5.528 12.061 ( 3.117 1.800 2.720) 4.512 20.694 ( -19.989 -11.541 0.476) 23.086 22.216 ( -8.900 -5.139 5.965) 11.882 ======================= Grid point 2086 (539/580) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 28.180 16.270 18.543) 37.452 2.569 ( 10.508 6.067 18.311) 21.966 3.286 ( 3.015 1.741 -17.683) 18.023 3.860 ( 36.962 21.340 -17.598) 46.166 5.902 ( 10.266 5.927 69.312) 70.319 8.714 ( -13.214 -7.629 -40.154) 42.955 10.180 ( 2.617 1.511 -5.548) 6.317 11.767 ( 15.300 8.834 1.186) 17.707 11.993 ( -2.441 -1.410 4.515) 5.323 12.441 ( 43.162 24.919 -25.412) 55.944 20.107 ( -28.639 -16.535 0.763) 33.079 21.998 ( -11.794 -6.809 9.111) 16.386 ======================= Grid point 2087 (540/580) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -7.153 -4.130 7.563) 11.199 2.802 ( 13.219 7.632 19.590) 24.835 3.432 ( 18.841 10.878 -18.150) 28.332 4.733 ( 33.263 19.205 5.797) 38.844 6.483 ( 22.989 13.273 48.310) 55.123 8.259 ( -13.384 -7.727 -37.306) 40.381 10.237 ( 3.773 2.178 -4.903) 6.559 11.861 ( -1.764 -1.018 7.928) 8.186 11.941 ( -3.130 -1.807 3.558) 5.072 13.484 ( 46.682 26.952 -27.342) 60.442 19.458 ( -26.191 -15.122 -0.892) 30.256 21.731 ( -13.728 -7.926 8.750) 18.107 ======================= Grid point 2088 (541/580) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( -11.870 -6.853 2.396) 13.914 2.941 ( -0.569 -0.329 5.984) 6.020 4.020 ( 30.475 17.594 -4.058) 35.422 5.321 ( 13.436 7.757 27.400) 31.488 6.951 ( -2.926 -1.689 -3.776) 5.067 8.174 ( 24.661 14.238 -8.486) 29.713 10.320 ( 4.688 2.707 -4.129) 6.808 11.820 ( -3.328 -1.922 7.181) 8.144 11.875 ( -3.405 -1.966 2.445) 4.630 14.325 ( 32.301 18.649 -19.488) 42.082 18.925 ( -18.947 -10.939 -3.137) 22.102 21.424 ( -14.966 -8.641 6.803) 18.572 ======================= Grid point 2089 (542/580) ======================= q-point: ( 0.61 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -14.048 -8.111 -0.632) 16.234 2.912 ( -2.317 -1.338 1.232) 2.945 4.705 ( 28.294 16.336 0.830) 32.682 5.574 ( -1.339 -0.773 38.596) 38.627 6.464 ( -23.165 -13.375 -36.416) 45.184 9.129 ( 47.580 27.470 8.204) 55.549 10.424 ( 5.193 2.998 -3.118) 6.759 11.775 ( -1.826 -1.054 5.320) 5.723 11.802 ( -3.384 -1.954 1.135) 4.069 14.851 ( 17.862 10.312 -12.954) 24.356 18.569 ( -10.735 -6.198 -3.870) 12.986 21.090 ( -15.308 -8.838 4.218) 18.173 ======================= Grid point 2090 (543/580) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -14.833 -8.564 -3.128) 17.411 2.856 ( -2.520 -1.455 -0.281) 2.923 5.306 ( -31.903 -18.419 12.768) 38.989 5.311 ( 23.324 13.466 2.148) 27.017 6.037 ( -1.583 -0.914 -17.287) 17.383 10.199 ( 39.046 22.543 10.159) 46.217 10.538 ( 5.300 3.060 -1.762) 6.368 11.725 ( -3.355 -1.937 -0.405) 3.895 11.816 ( 6.185 3.571 1.288) 7.258 15.079 ( 5.268 3.041 -8.607) 10.540 18.398 ( -3.395 -1.960 -2.501) 4.650 20.749 ( -14.813 -8.552 1.405) 17.162 ======================= Grid point 2103 (544/580) ======================= q-point: ( 0.39 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -0.000 25.078 16.114) 29.808 1.945 ( 0.000 50.133 18.210) 53.338 3.293 ( 0.000 5.151 -18.516) 19.219 3.321 ( 0.000 3.195 -16.151) 16.463 5.759 ( -0.000 2.915 75.402) 75.458 8.993 ( 0.000 -8.552 -46.222) 47.007 10.126 ( 0.000 1.225 -5.013) 5.161 10.808 ( 0.000 59.776 -17.900) 62.399 12.039 ( -0.000 -1.609 4.546) 4.823 12.056 ( -0.000 0.061 3.798) 3.798 20.694 ( -0.000 -23.271 0.440) 23.275 22.231 ( -0.000 -9.674 5.168) 10.968 ======================= Grid point 2104 (545/580) ======================= q-point: ( 0.44 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 18.768 26.625 16.944) 36.718 2.578 ( 8.800 21.398 21.866) 31.834 3.262 ( -1.554 6.270 -17.221) 18.393 3.534 ( 20.705 27.362 -22.061) 40.793 6.070 ( 4.060 5.203 70.433) 70.742 8.677 ( -8.013 -9.217 -44.743) 46.380 10.147 ( 1.913 2.382 -4.603) 5.524 11.635 ( 21.979 48.630 -12.679) 54.852 12.029 ( -1.253 -1.196 4.209) 4.551 12.129 ( 11.907 9.470 -6.667) 16.610 20.280 ( -15.817 -28.189 0.770) 32.332 22.090 ( -5.966 -10.984 7.115) 14.383 ======================= Grid point 2105 (546/580) ======================= q-point: ( 0.50 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 4.645 1.728 12.666) 13.601 2.750 ( 7.886 9.573 17.762) 21.663 3.313 ( 5.760 16.765 -20.329) 26.972 4.381 ( 34.776 35.771 -5.230) 50.162 6.489 ( 11.522 10.005 59.637) 61.558 8.260 ( -11.493 -9.617 -42.814) 45.361 10.205 ( 2.527 4.134 -4.166) 6.390 11.906 ( -1.479 0.568 5.958) 6.165 11.993 ( -3.062 -1.124 3.748) 4.968 12.968 ( 40.643 42.235 -23.694) 63.222 19.674 ( -21.062 -25.264 -0.030) 32.892 21.863 ( -9.610 -11.674 7.193) 16.744 ======================= Grid point 2106 (547/580) ======================= q-point: ( 0.56 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -9.080 -8.835 3.153) 13.056 2.953 ( 0.825 -1.231 7.444) 7.590 3.806 ( 22.044 32.476 -5.878) 39.689 5.185 ( 22.659 18.153 12.903) 31.772 6.946 ( 5.452 0.768 24.979) 25.578 7.976 ( 6.250 8.343 -25.747) 27.777 10.289 ( 2.905 5.626 -3.505) 7.238 11.873 ( -2.588 -2.384 5.717) 6.713 11.927 ( -3.868 -1.844 2.565) 4.994 13.921 ( 33.527 29.828 -17.300) 48.094 19.099 ( -18.418 -18.647 -1.867) 26.276 21.575 ( -12.033 -12.122 5.659) 17.993 ======================= Grid point 2107 (548/580) ======================= q-point: ( 0.61 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -12.090 -9.645 0.071) 15.466 2.928 ( -1.587 -2.851 1.190) 3.473 4.515 ( 21.968 31.186 0.715) 38.153 5.624 ( 8.835 4.337 26.852) 28.599 6.609 ( -22.364 -18.891 -23.564) 37.580 8.672 ( 40.790 31.890 5.269) 52.044 10.393 ( 3.185 6.558 -2.639) 7.754 11.817 ( -2.949 -2.509 5.337) 6.594 11.847 ( -3.521 -1.855 0.671) 4.036 14.594 ( 22.053 17.237 -11.129) 30.122 18.671 ( -12.180 -11.576 -2.934) 17.058 21.247 ( -13.332 -12.090 3.401) 18.316 ======================= Grid point 2108 (549/580) ======================= q-point: ( 0.67 0.39 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -14.009 -9.341 -2.219) 16.984 2.867 ( -1.778 -3.268 -0.463) 3.749 5.144 ( 15.537 21.490 1.426) 26.556 5.681 ( -19.395 -13.795 27.626) 36.465 6.009 ( -5.845 -1.250 -30.280) 30.864 9.763 ( 42.827 29.213 7.445) 52.374 10.513 ( 3.580 7.385 -1.427) 8.330 11.758 ( -2.252 -2.456 0.631) 3.392 11.792 ( -1.046 0.045 1.675) 1.975 14.964 ( 10.310 7.003 -6.963) 14.277 18.428 ( -5.162 -5.582 -2.132) 7.896 20.900 ( -13.631 -11.529 0.873) 17.874 ======================= Grid point 2123 (550/580) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -0.000 29.545 17.700) 34.441 2.744 ( -0.000 3.930 17.198) 17.642 3.305 ( 0.000 7.640 -19.056) 20.530 3.648 ( 0.000 51.606 -15.979) 54.023 6.317 ( -0.000 6.435 66.733) 67.042 8.499 ( 0.000 -10.416 -47.063) 48.202 10.138 ( 0.000 2.742 -3.434) 4.395 12.009 ( 0.000 51.447 -5.572) 51.748 12.017 ( -0.000 -3.122 3.250) 4.507 12.075 ( 0.000 15.927 -11.281) 19.517 20.099 ( -0.000 -34.045 0.987) 34.059 22.039 ( -0.000 -13.320 6.703) 14.911 ======================= Grid point 2124 (551/580) ======================= q-point: ( 0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 4.521 8.991 14.998) 18.061 2.758 ( 4.044 0.326 12.801) 13.429 3.365 ( 2.986 19.626 -21.209) 29.051 4.332 ( 17.373 50.360 -3.514) 53.389 6.642 ( 4.781 9.091 59.190) 60.075 8.178 ( -6.655 -9.456 -46.377) 47.797 10.187 ( 2.771 3.984 -2.963) 5.686 11.958 ( -2.809 -1.874 2.724) 4.339 12.034 ( -1.563 -2.275 2.624) 3.808 12.842 ( 21.874 56.917 -16.924) 63.281 19.663 ( -10.565 -31.853 0.631) 33.566 21.878 ( -4.746 -14.466 6.131) 16.412 ======================= Grid point 2125 (552/580) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -6.018 -10.967 3.185) 12.909 2.942 ( 1.873 -1.178 8.683) 8.961 3.804 ( 17.827 37.425 -8.690) 42.355 5.079 ( 18.576 30.076 7.276) 36.091 6.968 ( 2.423 -2.555 34.951) 35.128 7.913 ( 0.917 10.048 -33.082) 34.587 10.284 ( 3.592 5.848 -2.536) 7.316 11.902 ( -2.104 -2.586 2.982) 4.473 11.973 ( -2.961 -3.173 1.774) 4.689 13.708 ( 24.903 40.772 -12.246) 49.320 19.158 ( -13.572 -24.599 -0.568) 28.100 21.633 ( -8.275 -14.976 4.676) 17.738 ======================= Grid point 2126 (553/580) ======================= q-point: ( 0.61 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -8.867 -11.562 0.679) 14.587 2.925 ( -1.419 -3.541 1.650) 4.156 4.518 ( 19.889 38.149 -0.781) 43.029 5.583 ( 11.400 11.339 16.355) 22.935 6.684 ( -17.232 -24.066 -10.800) 31.508 8.420 ( 28.401 36.949 0.519) 46.607 10.405 ( 3.328 7.397 -1.831) 8.316 11.852 ( -2.133 -2.480 3.679) 4.923 11.885 ( -3.422 -3.243 0.093) 4.715 14.399 ( 19.991 24.831 -7.404) 32.727 18.730 ( -11.207 -16.129 -1.579) 19.704 21.330 ( -10.575 -14.859 2.656) 18.431 ======================= Grid point 2127 (554/580) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2920 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -11.314 -10.615 -1.190) 15.560 2.857 ( -1.815 -4.358 -0.287) 4.729 5.166 ( 11.767 26.725 0.115) 29.201 5.838 ( 3.069 -0.853 28.651) 28.828 6.054 ( -18.092 -12.423 -29.388) 36.678 9.398 ( 37.495 35.855 4.117) 52.043 10.533 ( 3.108 8.110 -0.906) 8.732 11.777 ( -3.326 -3.831 1.792) 5.380 11.825 ( -1.717 -0.279 0.214) 1.753 14.841 ( 11.859 11.770 -3.985) 17.177 18.449 ( -6.164 -8.766 -1.277) 10.793 20.994 ( -11.725 -14.119 0.408) 18.357 ======================= Grid point 2143 (555/580) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -0.000 -12.417 4.372) 13.164 2.809 ( -0.000 10.904 18.271) 21.277 3.480 ( 0.000 26.843 -20.242) 33.620 4.708 ( 0.000 48.869 2.661) 48.941 6.875 ( -0.000 7.151 52.488) 52.973 8.006 ( 0.000 -3.655 -46.857) 47.000 10.190 ( 0.000 4.224 -1.822) 4.600 11.961 ( -0.000 -4.106 2.152) 4.636 12.016 ( -0.000 -3.354 -0.593) 3.406 13.207 ( 0.000 57.118 -10.358) 58.050 19.428 ( -0.000 -31.809 0.878) 31.821 21.783 ( -0.000 -16.143 5.135) 16.940 ======================= Grid point 2144 (556/580) ======================= q-point: ( 0.56 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -3.102 -13.722 2.501) 14.288 2.931 ( 1.375 -0.573 8.889) 9.013 3.861 ( 13.280 36.471 -10.653) 40.249 5.215 ( 6.633 33.008 8.520) 34.729 7.001 ( -2.425 -14.184 25.186) 29.007 7.948 ( 2.264 24.824 -27.397) 37.040 10.266 ( 3.611 5.258 -1.247) 6.500 11.910 ( -1.385 -3.596 1.574) 4.163 11.969 ( -0.867 -4.411 -0.917) 4.588 13.806 ( 10.660 44.862 -6.003) 46.500 19.074 ( -6.399 -26.099 0.502) 26.876 21.594 ( -4.126 -16.907 3.732) 17.799 ======================= Grid point 2145 (557/580) ======================= q-point: ( 0.61 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -5.231 -13.926 1.165) 14.922 2.921 ( -1.454 -3.341 2.310) 4.314 4.529 ( 21.437 36.857 -3.118) 42.752 5.610 ( 6.326 16.360 11.246) 20.836 6.649 ( -12.328 -29.490 -4.278) 32.248 8.441 ( 15.840 44.648 -3.616) 47.513 10.399 ( 4.864 6.549 -0.706) 8.188 11.863 ( -1.011 -2.689 1.752) 3.365 11.892 ( -2.074 -4.814 -1.331) 5.408 14.375 ( 12.330 29.611 -2.430) 32.168 18.723 ( -7.966 -18.004 -0.066) 19.687 21.333 ( -7.270 -16.853 1.950) 18.458 ======================= Grid point 2146 (558/580) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -7.333 -12.701 -0.000) 14.666 2.849 ( -2.539 -4.397 0.000) 5.077 5.209 ( 14.347 24.850 -0.000) 28.694 5.839 ( 4.038 6.994 0.000) 8.076 6.112 ( -11.499 -19.918 -0.000) 22.999 9.252 ( 25.165 43.587 -0.000) 50.330 10.548 ( 4.116 7.130 -0.000) 8.233 11.794 ( -2.759 -4.778 -0.000) 5.518 11.839 ( -0.451 -0.781 0.000) 0.902 14.786 ( 9.045 15.666 -0.000) 18.090 18.456 ( -5.972 -10.344 -0.000) 11.944 21.026 ( -9.267 -16.051 -0.000) 18.534 ======================= Grid point 2163 (559/580) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -0.000 -15.625 1.904) 15.741 2.937 ( -0.000 -1.655 6.166) 6.384 4.068 ( 0.000 36.396 -8.533) 37.383 5.492 ( 0.000 24.494 10.458) 26.633 6.865 ( -0.000 -28.637 5.565) 29.173 8.205 ( 0.000 44.333 -12.770) 46.136 10.282 ( 0.000 5.483 -0.241) 5.489 11.885 ( -0.000 -4.447 1.306) 4.635 11.923 ( 0.000 -4.535 -2.789) 5.324 14.140 ( 0.000 39.270 -1.168) 39.288 18.881 ( -0.000 -22.731 1.058) 22.755 21.465 ( -0.000 -17.893 2.579) 18.078 ======================= Grid point 2164 (560/580) ======================= q-point: ( 0.61 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -2.165 -16.062 1.543) 16.280 2.921 ( -1.089 -2.945 2.493) 4.009 4.541 ( 15.009 34.727 -4.514) 38.100 5.737 ( 1.678 14.443 7.797) 16.499 6.482 ( -6.597 -35.248 -1.520) 35.892 8.727 ( 6.317 52.616 -5.793) 53.310 10.378 ( 4.138 6.123 0.358) 7.399 11.844 ( -0.096 -3.985 1.194) 4.161 11.860 ( -0.878 -4.454 -3.212) 5.562 14.528 ( 4.388 28.231 2.092) 28.646 18.651 ( -3.727 -16.440 1.154) 16.897 21.258 ( -3.634 -17.974 1.159) 18.375 ======================= Grid point 2184 (561/580) ======================= q-point: (-0.39 -0.39 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -0.000 -17.155 1.885) 17.259 2.910 ( -0.000 -2.923 1.700) 3.381 4.729 ( 0.000 32.840 -4.082) 33.093 5.860 ( 0.000 10.170 -5.186) 11.416 6.165 ( -0.000 -40.356 10.141) 41.611 9.204 ( 0.000 55.889 -6.936) 56.318 10.403 ( 0.000 6.204 1.078) 6.297 11.804 ( -0.000 -4.281 0.698) 4.337 11.818 ( 0.000 -3.092 -3.427) 4.616 14.761 ( 0.000 21.491 5.238) 22.120 18.541 ( -0.000 -12.301 1.825) 12.435 21.109 ( -0.000 -18.207 0.207) 18.208 ======================= Grid point 2437 (562/580) ======================= q-point: ( 0.39 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 570 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.000 0.000 14.446) 14.446 1.318 ( -0.000 0.000 14.446) 14.446 3.233 ( 0.000 -0.000 -13.374) 13.374 3.233 ( 0.000 -0.000 -13.374) 13.374 5.978 ( -0.000 0.000 74.015) 74.015 8.935 ( 0.000 -0.000 -53.515) 53.515 10.099 ( 0.000 -0.000 -4.538) 4.538 10.099 ( 0.000 -0.000 -4.538) 4.538 12.069 ( -0.000 0.000 4.058) 4.058 12.069 ( -0.000 0.000 4.058) 4.058 20.938 ( -0.000 0.000 0.110) 0.110 22.342 ( -0.000 0.000 1.513) 1.513 ======================= Grid point 2438 (563/580) ======================= q-point: ( 0.44 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 23.659 13.660 12.847) 30.189 2.024 ( 43.501 25.115 16.844) 52.980 3.173 ( -0.561 -0.324 -12.024) 12.042 3.232 ( 4.875 2.814 -18.007) 18.867 6.241 ( 2.471 1.426 70.058) 70.116 8.662 ( -7.495 -4.327 -49.192) 49.948 10.102 ( 1.342 0.775 -3.986) 4.276 10.702 ( 47.149 27.222 -11.298) 55.603 12.065 ( -1.412 -0.815 3.406) 3.776 12.087 ( 0.862 0.498 2.255) 2.465 20.697 ( -19.773 -11.416 0.206) 22.833 22.261 ( -6.931 -4.001 3.440) 8.711 ======================= Grid point 2439 (564/580) ======================= q-point: ( 0.50 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 30.941 17.864 14.555) 38.579 2.743 ( 4.011 2.316 16.647) 17.279 3.128 ( 0.440 0.254 -13.426) 13.436 3.682 ( 45.235 26.116 -17.632) 55.129 6.564 ( 6.994 4.038 63.960) 64.468 8.284 ( -11.674 -6.740 -46.299) 48.222 10.136 ( 2.572 1.485 -3.372) 4.494 11.774 ( 28.982 16.733 0.854) 33.477 12.028 ( -2.547 -1.471 2.587) 3.917 12.253 ( 28.201 16.282 -13.712) 35.333 20.111 ( -28.819 -16.638 0.131) 33.277 22.066 ( -10.930 -6.311 4.832) 13.515 ======================= Grid point 2440 (565/580) ======================= q-point: ( 0.56 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -9.590 -5.537 4.329) 11.890 2.980 ( 4.233 2.444 14.248) 15.063 3.270 ( 28.042 16.190 -12.448) 34.690 4.748 ( 42.346 24.448 -1.152) 48.910 6.993 ( 11.141 6.432 53.754) 55.272 7.855 ( -8.844 -5.106 -44.820) 45.969 10.199 ( 3.757 2.169 -2.717) 5.119 11.934 ( -1.949 -1.125 6.840) 7.201 11.967 ( -3.296 -1.903 1.627) 4.139 13.271 ( 47.997 27.711 -15.972) 57.678 19.448 ( -26.988 -15.581 -1.075) 31.181 21.794 ( -13.669 -7.892 4.004) 16.284 ======================= Grid point 2441 (566/580) ======================= q-point: ( 0.61 0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -12.959 -7.482 0.390) 14.969 2.970 ( -2.290 -1.322 -0.285) 2.660 4.011 ( 32.280 18.637 2.554) 37.362 5.501 ( 21.486 12.405 8.877) 26.351 6.915 ( -25.112 -14.498 -4.181) 29.296 8.134 ( 38.580 22.274 1.304) 44.567 10.290 ( 4.740 2.737 -1.985) 5.822 11.882 ( -3.670 -2.119 5.345) 6.822 11.889 ( -3.639 -2.101 0.537) 4.236 14.182 ( 33.690 19.451 -9.605) 40.070 18.898 ( -19.559 -11.293 -2.241) 22.696 21.467 ( -15.258 -8.809 2.091) 17.742 ======================= Grid point 2457 (567/580) ======================= q-point: ( 0.44 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.000 25.985 11.979) 28.613 2.109 ( 0.000 55.214 14.159) 57.001 3.128 ( 0.000 -0.251 -14.155) 14.158 3.177 ( 0.000 1.597 -12.458) 12.560 6.460 ( -0.000 2.053 65.818) 65.850 8.512 ( 0.000 -6.433 -49.997) 50.409 10.087 ( 0.000 1.325 -2.901) 3.189 10.676 ( 0.000 54.325 -9.256) 55.108 12.075 ( -0.000 -1.666 2.682) 3.158 12.087 ( -0.000 -0.548 2.470) 2.530 20.697 ( -0.000 -22.968 0.222) 22.969 22.270 ( -0.000 -7.702 2.807) 8.197 ======================= Grid point 2458 (568/580) ======================= q-point: ( 0.50 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 19.475 29.404 11.872) 37.214 2.794 ( 5.185 15.792 21.614) 27.266 3.112 ( -0.972 3.563 -12.341) 12.882 3.315 ( 23.517 33.380 -21.660) 46.222 6.719 ( 3.265 3.889 59.487) 59.704 8.217 ( -6.767 -8.587 -46.727) 47.989 10.113 ( 1.673 2.459 -2.350) 3.791 11.529 ( 28.871 54.461 -7.904) 62.145 12.062 ( -1.149 -0.510 2.492) 2.791 12.096 ( 3.649 0.617 -1.436) 3.970 20.285 ( -15.910 -27.965 0.316) 32.176 22.141 ( -5.527 -9.899 3.394) 11.835 ======================= Grid point 2459 (569/580) ======================= q-point: ( 0.56 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -3.329 -5.564 5.032) 8.207 2.943 ( 13.908 13.421 20.925) 28.485 3.111 ( 6.102 17.102 -20.494) 27.381 4.331 ( 38.828 41.435 -4.129) 56.934 7.062 ( 8.743 6.854 54.386) 55.509 7.812 ( -10.679 -9.438 -46.526) 48.660 10.175 ( 2.407 4.141 -1.814) 5.122 11.954 ( -0.555 -1.040 3.564) 3.754 12.024 ( -3.290 -0.952 2.632) 4.320 12.795 ( 40.306 43.703 -11.476) 60.549 19.672 ( -21.650 -25.417 -0.317) 33.389 21.911 ( -9.587 -11.330 2.673) 15.081 ======================= Grid point 2460 (570/580) ======================= q-point: ( 0.61 0.44 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -10.040 -9.498 0.439) 13.828 2.984 ( -1.812 -2.097 -1.307) 3.064 3.790 ( 25.124 33.070 3.067) 41.645 5.250 ( 27.487 23.297 1.176) 36.051 7.130 ( -18.940 -19.695 5.054) 27.788 7.801 ( 26.036 23.922 -3.361) 35.517 10.266 ( 2.870 5.647 -1.150) 6.438 11.911 ( -2.079 -2.838 1.775) 3.941 11.950 ( -4.158 -2.311 2.359) 5.310 13.806 ( 33.984 31.133 -5.995) 46.477 19.083 ( -19.107 -18.819 -1.270) 26.848 21.608 ( -12.299 -12.069 0.942) 17.257 ======================= Grid point 2477 (571/580) ======================= q-point: ( 0.50 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 0.000 33.495 13.039) 35.944 2.877 ( -0.000 -6.824 8.128) 10.613 3.135 ( 0.000 3.362 -14.490) 14.875 3.525 ( 0.000 63.713 -7.094) 64.106 6.919 ( -0.000 5.633 51.842) 52.147 8.031 ( 0.000 -10.826 -44.502) 45.800 10.115 ( 0.000 2.829 -1.237) 3.087 11.875 ( 0.000 60.242 -11.806) 61.388 12.040 ( -0.000 -3.107 1.384) 3.401 12.094 ( -0.000 5.543 5.147) 7.564 20.106 ( -0.000 -33.792 0.585) 33.797 22.085 ( -0.000 -12.462 2.760) 12.764 ======================= Grid point 2478 (572/580) ======================= q-point: ( 0.56 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 2916 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -2.845 -5.513 3.465) 7.105 2.915 ( 10.966 12.131 18.877) 24.975 3.154 ( 3.803 19.834 -21.626) 29.590 4.311 ( 17.842 55.184 -0.246) 57.997 7.188 ( 4.597 8.949 46.364) 47.443 7.710 ( -6.563 -11.966 -43.531) 45.621 10.169 ( 2.529 4.064 -0.599) 4.824 11.972 ( -2.120 -1.600 -0.070) 2.657 12.043 ( -0.236 -3.136 -0.750) 3.233 12.748 ( 20.056 57.362 -2.237) 60.808 19.668 ( -10.919 -31.794 0.466) 33.620 21.916 ( -4.829 -14.068 1.699) 14.971 ======================= Grid point 2479 (573/580) ======================= q-point: ( 0.61 0.50 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -6.542 -11.331 -0.000) 13.083 2.987 ( -1.474 -2.553 0.000) 2.947 3.758 ( 22.120 38.313 -0.000) 44.240 5.113 ( 19.775 34.251 -0.000) 39.549 7.205 ( -13.999 -24.247 0.000) 27.998 7.688 ( 16.156 27.982 -0.000) 32.311 10.272 ( 3.419 5.923 -0.000) 6.839 11.917 ( -1.562 -2.706 -0.000) 3.125 11.982 ( -2.295 -3.975 0.000) 4.590 13.647 ( 24.195 41.908 -0.000) 48.391 19.155 ( -14.183 -24.565 -0.000) 28.366 21.656 ( -8.540 -14.792 -0.000) 17.081 ======================= Grid point 2497 (574/580) ======================= q-point: ( 0.56 0.56 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( -0.000 -12.623 -0.084) 12.623 2.976 ( -0.000 2.595 13.941) 14.181 3.293 ( 0.000 34.927 -15.933) 38.390 4.730 ( 0.000 52.145 2.089) 52.187 7.384 ( -0.000 -0.311 50.158) 50.159 7.517 ( 0.000 0.893 -51.853) 51.861 10.184 ( 0.000 4.290 0.435) 4.312 11.973 ( -0.000 -3.976 0.304) 3.987 11.991 ( 0.000 -2.951 -4.415) 5.311 13.174 ( 0.000 56.693 3.456) 56.799 19.438 ( -0.000 -31.698 1.028) 31.715 21.811 ( -0.000 -15.870 0.578) 15.880 ======================= Grid point 2793 (575/580) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 580 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -0.000 0.000 8.429) 8.429 1.432 ( -0.000 0.000 8.429) 8.429 3.125 ( 0.000 -0.000 -8.003) 8.003 3.125 ( 0.000 -0.000 -8.003) 8.003 6.646 ( -0.000 0.000 59.288) 59.288 8.417 ( 0.000 -0.000 -49.047) 49.047 10.066 ( 0.000 -0.000 -2.320) 2.320 10.066 ( 0.000 -0.000 -2.320) 2.320 12.100 ( -0.000 0.000 2.073) 2.073 12.100 ( -0.000 0.000 2.073) 2.073 20.939 ( -0.000 0.000 0.035) 0.035 22.354 ( -0.000 0.000 0.818) 0.818 ======================= Grid point 2794 (576/580) ======================= q-point: ( 0.50 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1539 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 24.035 13.876 5.443) 28.281 2.163 ( 48.876 28.219 10.171) 57.347 3.083 ( -1.019 -0.588 -11.073) 11.135 3.088 ( -0.857 -0.495 -4.705) 4.808 6.847 ( 2.309 1.333 48.193) 48.267 8.198 ( -6.089 -3.515 -39.973) 40.587 10.074 ( 1.279 0.738 -1.698) 2.251 10.628 ( 44.808 25.870 -4.034) 51.896 12.088 ( -1.442 -0.833 1.379) 2.163 12.103 ( -0.102 -0.059 0.890) 0.898 20.698 ( -19.708 -11.378 0.039) 22.757 22.284 ( -6.001 -3.465 1.301) 7.051 ======================= Grid point 2795 (577/580) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 32.892 18.990 1.094) 37.996 2.875 ( -5.339 -3.082 8.431) 10.444 3.054 ( -1.255 -0.725 0.256) 1.472 3.539 ( 54.967 31.735 -9.620) 64.196 7.085 ( 7.694 4.442 31.110) 32.353 7.875 ( -12.571 -7.258 -25.944) 29.729 10.114 ( 2.516 1.452 -1.066) 3.094 11.797 ( 41.970 24.231 4.535) 48.674 12.044 ( -2.635 -1.521 0.588) 3.098 12.154 ( 14.591 8.424 -7.388) 18.397 20.110 ( -29.039 -16.765 -0.265) 33.532 22.094 ( -10.586 -6.112 0.984) 12.264 ======================= Grid point 2813 (578/580) ======================= q-point: ( 0.50 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1548 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.000 27.238 4.214) 27.562 2.200 ( 0.000 59.657 3.209) 59.744 3.039 ( 0.000 -4.707 -2.748) 5.451 3.089 ( 0.000 -0.157 -4.886) 4.889 6.974 ( -0.000 2.510 29.299) 29.406 8.093 ( 0.000 -6.411 -25.623) 26.413 10.069 ( 0.000 1.405 -0.632) 1.541 10.620 ( 0.000 51.663 -2.383) 51.718 12.092 ( -0.000 -1.682 0.679) 1.814 12.103 ( -0.000 -0.561 0.791) 0.970 20.698 ( -0.000 -22.806 0.083) 22.806 22.287 ( -0.000 -6.839 0.724) 6.877 ======================= Grid point 2814 (579/580) ======================= q-point: ( 0.56 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 1467 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 18.626 32.261 -0.000) 37.251 2.950 ( -3.574 -6.190 0.000) 7.148 3.039 ( 5.168 8.951 -0.000) 10.336 3.167 ( 27.229 47.162 -0.000) 54.458 7.092 ( 3.361 5.821 0.000) 6.722 7.907 ( -6.264 -10.850 -0.000) 12.529 10.101 ( 1.474 2.554 -0.000) 2.949 11.489 ( 31.484 54.533 0.000) 62.969 12.076 ( 0.286 0.495 0.000) 0.572 12.088 ( -0.778 -1.348 -0.000) 1.557 20.286 ( -16.066 -27.827 -0.000) 32.132 22.158 ( -5.476 -9.484 -0.000) 10.951 ======================= Grid point 3155 (580/580) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 2.11e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -0.000 0.000 0.000) 0.000 1.475 ( -0.000 0.000 0.000) 0.000 3.084 ( -0.000 0.000 0.000) 0.000 3.084 ( -0.000 0.000 0.000) 0.000 6.999 ( 0.000 -0.000 -0.000) 0.000 8.115 ( -0.000 0.000 0.000) 0.000 10.054 ( -0.000 0.000 0.000) 0.000 10.054 ( -0.000 0.000 0.000) 0.000 12.110 ( -0.000 0.000 0.000) 0.000 12.110 ( -0.000 0.000 0.000) 0.000 20.939 ( -0.000 0.000 0.000) 0.000 22.358 ( -0.000 0.000 0.000) 0.000 =================== 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 3/69984 10.0 552.834 552.834 3638.845 0.000 -0.000 0.000 3/69984 20.0 320.742 320.742 1204.759 0.000 -0.000 0.000 3/69984 30.0 196.332 196.332 553.573 0.000 -0.000 0.000 3/69984 40.0 141.299 141.299 343.006 0.000 -0.000 0.000 3/69984 50.0 111.158 111.158 249.077 0.000 -0.000 0.000 3/69984 60.0 91.405 91.405 195.816 0.000 -0.000 0.000 3/69984 70.0 76.977 76.977 160.592 0.000 -0.000 0.000 3/69984 80.0 65.898 65.898 135.114 0.000 -0.000 0.000 3/69984 90.0 57.212 57.212 115.751 0.000 -0.000 0.000 3/69984 100.0 50.317 50.317 100.614 0.000 -0.000 0.000 3/69984 110.0 44.780 44.780 88.556 0.000 -0.000 0.000 3/69984 120.0 40.278 40.278 78.809 0.000 -0.000 0.000 3/69984 130.0 36.569 36.569 70.828 0.000 -0.000 0.000 3/69984 140.0 33.474 33.474 64.214 0.000 -0.000 0.000 3/69984 150.0 30.861 30.861 58.672 0.000 -0.000 0.000 3/69984 160.0 28.629 28.629 53.979 0.000 -0.000 0.000 3/69984 170.0 26.703 26.703 49.964 0.000 -0.000 0.000 3/69984 180.0 25.026 25.026 46.499 0.000 -0.000 0.000 3/69984 190.0 23.552 23.552 43.483 0.000 -0.000 0.000 3/69984 200.0 22.247 22.247 40.837 0.000 -0.000 0.000 3/69984 210.0 21.084 21.084 38.499 0.000 -0.000 0.000 3/69984 220.0 20.040 20.040 36.419 0.000 -0.000 0.000 3/69984 230.0 19.099 19.099 34.557 0.000 -0.000 0.000 3/69984 240.0 18.245 18.245 32.882 0.000 -0.000 0.000 3/69984 250.0 17.466 17.466 31.366 0.000 -0.000 0.000 3/69984 260.0 16.754 16.754 29.988 0.000 -0.000 0.000 3/69984 270.0 16.099 16.099 28.730 0.000 -0.000 0.000 3/69984 280.0 15.495 15.495 27.577 0.000 -0.000 0.000 3/69984 290.0 14.936 14.936 26.517 0.000 -0.000 0.000 3/69984 300.0 14.418 14.418 25.537 0.000 -0.000 0.000 3/69984 310.0 13.935 13.935 24.630 0.000 -0.000 0.000 3/69984 320.0 13.484 13.484 23.787 0.000 -0.000 0.000 3/69984 330.0 13.063 13.063 23.002 0.000 -0.000 0.000 3/69984 340.0 12.667 12.667 22.269 0.000 -0.000 0.000 3/69984 350.0 12.296 12.296 21.582 0.000 -0.000 0.000 3/69984 360.0 11.946 11.946 20.939 0.000 -0.000 0.000 3/69984 370.0 11.615 11.615 20.333 0.000 -0.000 0.000 3/69984 380.0 11.303 11.303 19.763 0.000 -0.000 0.000 3/69984 390.0 11.008 11.008 19.224 0.000 -0.000 0.000 3/69984 400.0 10.728 10.728 18.715 0.000 -0.000 0.000 3/69984 410.0 10.462 10.462 18.233 0.000 -0.000 0.000 3/69984 420.0 10.209 10.209 17.776 0.000 -0.000 0.000 3/69984 430.0 9.969 9.969 17.342 0.000 -0.000 0.000 3/69984 440.0 9.739 9.739 16.929 0.000 -0.000 0.000 3/69984 450.0 9.520 9.520 16.536 0.000 -0.000 0.000 3/69984 460.0 9.311 9.311 16.161 0.000 -0.000 0.000 3/69984 470.0 9.111 9.111 15.803 0.000 -0.000 0.000 3/69984 480.0 8.919 8.919 15.461 0.000 -0.000 0.000 3/69984 490.0 8.736 8.736 15.134 0.000 -0.000 0.000 3/69984 500.0 8.560 8.560 14.820 0.000 -0.000 0.000 3/69984 510.0 8.391 8.391 14.520 0.000 -0.000 0.000 3/69984 520.0 8.228 8.228 14.231 0.000 -0.000 0.000 3/69984 530.0 8.072 8.072 13.955 0.000 -0.000 0.000 3/69984 540.0 7.922 7.922 13.688 0.000 -0.000 0.000 3/69984 550.0 7.777 7.777 13.433 0.000 -0.000 0.000 3/69984 560.0 7.637 7.637 13.186 0.000 -0.000 0.000 3/69984 570.0 7.503 7.503 12.949 0.000 -0.000 0.000 3/69984 580.0 7.373 7.373 12.720 0.000 -0.000 0.000 3/69984 590.0 7.248 7.248 12.499 0.000 -0.000 0.000 3/69984 600.0 7.126 7.126 12.286 0.000 -0.000 0.000 3/69984 610.0 7.009 7.009 12.080 0.000 -0.000 0.000 3/69984 620.0 6.896 6.896 11.881 0.000 -0.000 0.000 3/69984 630.0 6.786 6.786 11.688 0.000 -0.000 0.000 3/69984 640.0 6.680 6.680 11.502 0.000 -0.000 0.000 3/69984 650.0 6.577 6.577 11.322 0.000 -0.000 0.000 3/69984 660.0 6.477 6.477 11.147 0.000 -0.000 0.000 3/69984 670.0 6.380 6.380 10.978 0.000 -0.000 0.000 3/69984 680.0 6.286 6.286 10.814 0.000 -0.000 0.000 3/69984 690.0 6.195 6.195 10.654 0.000 -0.000 0.000 3/69984 700.0 6.107 6.107 10.500 0.000 -0.000 0.000 3/69984 710.0 6.020 6.020 10.349 0.000 -0.000 0.000 3/69984 720.0 5.937 5.937 10.204 0.000 -0.000 0.000 3/69984 730.0 5.855 5.855 10.062 0.000 -0.000 0.000 3/69984 740.0 5.776 5.776 9.924 0.000 -0.000 0.000 3/69984 750.0 5.699 5.699 9.790 0.000 -0.000 0.000 3/69984 760.0 5.624 5.624 9.659 0.000 -0.000 0.000 3/69984 770.0 5.551 5.551 9.532 0.000 -0.000 0.000 3/69984 780.0 5.480 5.480 9.409 0.000 -0.000 0.000 3/69984 790.0 5.411 5.411 9.288 0.000 -0.000 0.000 3/69984 800.0 5.343 5.343 9.171 0.000 -0.000 0.000 3/69984 810.0 5.277 5.277 9.056 0.000 -0.000 0.000 3/69984 820.0 5.213 5.213 8.945 0.000 -0.000 0.000 3/69984 830.0 5.150 5.150 8.836 0.000 -0.000 0.000 3/69984 840.0 5.089 5.089 8.729 0.000 -0.000 0.000 3/69984 850.0 5.029 5.029 8.626 0.000 -0.000 0.000 3/69984 860.0 4.970 4.970 8.524 0.000 -0.000 0.000 3/69984 870.0 4.913 4.913 8.426 0.000 -0.000 0.000 3/69984 880.0 4.858 4.858 8.329 0.000 -0.000 0.000 3/69984 890.0 4.803 4.803 8.234 0.000 -0.000 0.000 3/69984 900.0 4.750 4.750 8.142 0.000 -0.000 0.000 3/69984 910.0 4.698 4.698 8.052 0.000 -0.000 0.000 3/69984 920.0 4.647 4.647 7.964 0.000 -0.000 0.000 3/69984 930.0 4.597 4.597 7.877 0.000 -0.000 0.000 3/69984 940.0 4.548 4.548 7.793 0.000 -0.000 0.000 3/69984 950.0 4.500 4.500 7.710 0.000 -0.000 0.000 3/69984 960.0 4.453 4.453 7.629 0.000 -0.000 0.000 3/69984 970.0 4.407 4.407 7.550 0.000 -0.000 0.000 3/69984 980.0 4.362 4.362 7.473 0.000 -0.000 0.000 3/69984 990.0 4.318 4.318 7.397 0.000 -0.000 0.000 3/69984 1000.0 4.275 4.275 7.322 0.000 -0.000 0.000 3/69984 Thermal conductivity related properties were written into "kappa-m181818.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:21:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|