----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:23:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 324 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.687514156717999 0.974286752642439 6.447830826666659 b -1.687514156717995 0.974286752642439 6.447830826666659 c 0.000000000000002 -1.948573505284881 6.447830826666659 Atomic positions (fractional): *1 O 0.77627752617169 0.77627752617169 0.77627752617169 15.999 2 O 0.22372247382831 0.22372247382831 0.22372247382831 15.999 *3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *4 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.375028313435994 0.000000000000000 0.000000000000000 b -1.687514156717997 2.922860257927320 0.000000000000000 c 0.000000000000000 0.000000000000000 19.343492479999998 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.77627752617169 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.89038914049497 15.999 > 2 3 O 0.66666666666667 0.33333333333333 0.10961085950502 15.999 > 1 4 O 0.00000000000000 0.00000000000000 0.22372247382831 15.999 > 2 5 O 0.33333333333333 0.66666666666667 0.44294419283836 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.55705580716164 15.999 > 2 *7 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 8 Rb 0.66666666666667 0.33333333333333 0.33333333333333 85.468 > 3 9 Rb 0.33333333333333 0.66666666666667 0.66666666666667 85.468 > 3 *10 Lu 0.66666666666667 0.33333333333333 0.83333333333333 174.967 > 4 11 Lu 0.33333333333333 0.66666666666667 0.16666666666667 174.967 > 4 12 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.125084940307982 0.000000000000000 0.000000000000000 b -5.062542470153991 8.768580773781959 0.000000000000000 c 0.000000000000000 0.000000000000000 19.343492479999998 Atomic positions (fractional): *1 O 0.00000000000000 0.00000000000000 0.77627752617169 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.77627752617169 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.77627752617169 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.77627752617169 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.77627752617169 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.77627752617169 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.77627752617169 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.77627752617169 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.77627752617169 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.89038914049497 15.999 > 2 11 O 0.44444444444444 0.22222222222222 0.89038914049497 15.999 > 2 12 O 0.77777777777778 0.22222222222222 0.89038914049497 15.999 > 2 13 O 0.11111111111111 0.55555555555556 0.89038914049497 15.999 > 2 14 O 0.44444444444444 0.55555555555556 0.89038914049497 15.999 > 2 15 O 0.77777777777778 0.55555555555556 0.89038914049497 15.999 > 2 16 O 0.11111111111111 0.88888888888889 0.89038914049497 15.999 > 2 17 O 0.44444444444444 0.88888888888889 0.89038914049497 15.999 > 2 18 O 0.77777777777778 0.88888888888889 0.89038914049497 15.999 > 2 19 O 0.22222222222222 0.11111111111111 0.10961085950502 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.10961085950502 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.10961085950502 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.10961085950502 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.10961085950502 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.10961085950502 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.10961085950502 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.10961085950502 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.10961085950502 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.22372247382831 15.999 > 2 29 O 0.33333333333333 0.00000000000000 0.22372247382831 15.999 > 2 30 O 0.66666666666667 0.00000000000000 0.22372247382831 15.999 > 2 31 O 0.00000000000000 0.33333333333333 0.22372247382831 15.999 > 2 32 O 0.33333333333333 0.33333333333333 0.22372247382831 15.999 > 2 33 O 0.66666666666667 0.33333333333333 0.22372247382831 15.999 > 2 34 O 0.00000000000000 0.66666666666667 0.22372247382831 15.999 > 2 35 O 0.33333333333333 0.66666666666667 0.22372247382831 15.999 > 2 36 O 0.66666666666667 0.66666666666667 0.22372247382831 15.999 > 2 37 O 0.11111111111111 0.22222222222222 0.44294419283836 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.44294419283836 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.44294419283836 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.44294419283836 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.44294419283836 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.44294419283836 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.44294419283836 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.44294419283836 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.44294419283836 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.55705580716164 15.999 > 2 47 O 0.55555555555556 0.11111111111111 0.55705580716164 15.999 > 2 48 O 0.88888888888889 0.11111111111111 0.55705580716164 15.999 > 2 49 O 0.22222222222222 0.44444444444444 0.55705580716164 15.999 > 2 50 O 0.55555555555556 0.44444444444444 0.55705580716164 15.999 > 2 51 O 0.88888888888889 0.44444444444444 0.55705580716164 15.999 > 2 52 O 0.22222222222222 0.77777777777778 0.55705580716164 15.999 > 2 53 O 0.55555555555556 0.77777777777778 0.55705580716164 15.999 > 2 54 O 0.88888888888889 0.77777777777778 0.55705580716164 15.999 > 2 *55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 3 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 3 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 3 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 3 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 3 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 3 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 3 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 3 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 3 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 3 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 3 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 3 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 3 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 3 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 3 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 3 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 3 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 3 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 3 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 3 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 3 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 3 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 3 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 3 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 3 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 3 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 3 *82 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 4 83 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 4 84 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 4 85 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 4 86 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 4 87 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 4 88 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 4 89 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 4 90 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 4 91 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 4 92 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 4 93 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 4 94 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 4 95 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 4 96 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 4 97 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 4 98 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 4 99 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 4 100 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 4 101 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 4 102 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 4 103 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 4 104 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 4 105 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 4 106 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 4 107 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 4 108 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8560915 0.0000000 0.0000000 0.0000000 3.8560915 0.0000000 0.0000000 0.0000000 3.5600364 -------------------------- Born effective charges -------------------------- 1 O -2.5849532 -0.0000000 0.0000000 0.0000000 -2.5849532 0.0000000 0.0000000 0.0000000 -2.1314281 2 O -2.5849532 -0.0000000 0.0000000 0.0000000 -2.5849532 0.0000000 0.0000000 0.0000000 -2.1314281 3 Rb 1.0794632 0.0000000 0.0000000 0.0000000 1.0794632 0.0000000 0.0000000 0.0000000 1.7715853 4 Lu 4.0904431 0.0000000 0.0000000 0.0000000 4.0904431 0.0000000 0.0000000 0.0000000 2.4912709 ---------------------------------------------------------------------------- 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: 194 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: 0.109 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.116 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 2568/2568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 215 Number of blocks in projector: 194 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 97 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (215, 209), data: False |-- (54, 51), data: True |-- (64, 64), data: True |-- (97, 94), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:23:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.687514156717999 0.974286752642439 6.447830826666659 b -1.687514156717995 0.974286752642439 6.447830826666659 c 0.000000000000002 -1.948573505284881 6.447830826666659 Atomic positions (fractional): 1 O 0.77627752617169 0.77627752617169 0.77627752617169 15.999 2 O 0.22372247382831 0.22372247382831 0.22372247382831 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.125084940307982 0.000000000000000 0.000000000000000 b -5.062542470153991 8.768580773781959 0.000000000000000 c 0.000000000000000 0.000000000000000 19.343492479999998 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.77627752617169 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.77627752617169 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.77627752617169 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.77627752617169 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.77627752617169 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.77627752617169 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.77627752617169 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.77627752617169 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.77627752617169 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.89038914049497 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.89038914049497 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.89038914049497 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.89038914049497 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.89038914049497 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.89038914049497 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.89038914049497 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.89038914049497 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.89038914049497 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.10961085950502 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.10961085950502 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.10961085950502 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.10961085950502 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.10961085950502 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.10961085950502 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.10961085950502 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.10961085950502 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.10961085950502 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.22372247382831 15.999 > 10 29 O 0.33333333333333 0.00000000000000 0.22372247382831 15.999 > 10 30 O 0.66666666666667 0.00000000000000 0.22372247382831 15.999 > 10 31 O 0.00000000000000 0.33333333333333 0.22372247382831 15.999 > 10 32 O 0.33333333333333 0.33333333333333 0.22372247382831 15.999 > 10 33 O 0.66666666666667 0.33333333333333 0.22372247382831 15.999 > 10 34 O 0.00000000000000 0.66666666666667 0.22372247382831 15.999 > 10 35 O 0.33333333333333 0.66666666666667 0.22372247382831 15.999 > 10 36 O 0.66666666666667 0.66666666666667 0.22372247382831 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.44294419283836 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.44294419283836 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.44294419283836 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.44294419283836 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.44294419283836 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.44294419283836 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.44294419283836 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.44294419283836 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.44294419283836 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.55705580716164 15.999 > 10 47 O 0.55555555555556 0.11111111111111 0.55705580716164 15.999 > 10 48 O 0.88888888888889 0.11111111111111 0.55705580716164 15.999 > 10 49 O 0.22222222222222 0.44444444444444 0.55705580716164 15.999 > 10 50 O 0.55555555555556 0.44444444444444 0.55705580716164 15.999 > 10 51 O 0.88888888888889 0.44444444444444 0.55705580716164 15.999 > 10 52 O 0.22222222222222 0.77777777777778 0.55705580716164 15.999 > 10 53 O 0.55555555555556 0.77777777777778 0.55705580716164 15.999 > 10 54 O 0.88888888888889 0.77777777777778 0.55705580716164 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 82 83 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 82 84 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 82 85 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 82 86 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 82 87 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 82 88 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 82 89 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 82 90 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 82 91 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 82 92 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 82 93 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 82 94 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 82 95 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 82 96 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 82 97 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 82 98 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 82 99 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 82 100 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 82 101 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 82 102 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 82 103 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 82 104 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 82 105 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 82 106 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 82 107 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 82 108 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8560915 0.0000000 0.0000000 0.0000000 3.8560915 0.0000000 0.0000000 0.0000000 3.5600364 -------------------------- Born effective charges -------------------------- 1 O -2.5849532 -0.0000000 0.0000000 0.0000000 -2.5849532 0.0000000 0.0000000 0.0000000 -2.1314281 2 O -2.5849532 -0.0000000 0.0000000 0.0000000 -2.5849532 0.0000000 0.0000000 0.0000000 -2.1314281 3 Rb 1.0794632 0.0000000 0.0000000 0.0000000 1.0794632 0.0000000 0.0000000 0.0000000 1.7715853 4 Lu 4.0904431 0.0000000 0.0000000 0.0000000 4.0904431 0.0000000 0.0000000 0.0000000 2.4912709 ---------------------------------------------------------------------------- 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:23:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:23:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.687514156717999 0.974286752642439 6.447830826666659 b -1.687514156717995 0.974286752642439 6.447830826666659 c 0.000000000000002 -1.948573505284881 6.447830826666659 Atomic positions (fractional): 1 O 0.77627752617169 0.77627752617169 0.77627752617169 15.999 2 O 0.22372247382831 0.22372247382831 0.22372247382831 15.999 3 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 4 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.125084940307982 0.000000000000000 0.000000000000000 b -5.062542470153991 8.768580773781959 0.000000000000000 c 0.000000000000000 0.000000000000000 19.343492479999998 Atomic positions (fractional): 1 O 0.00000000000000 0.00000000000000 0.77627752617169 15.999 > 1 2 O 0.33333333333333 0.00000000000000 0.77627752617169 15.999 > 1 3 O 0.66666666666667 0.00000000000000 0.77627752617169 15.999 > 1 4 O 0.00000000000000 0.33333333333333 0.77627752617169 15.999 > 1 5 O 0.33333333333333 0.33333333333333 0.77627752617169 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.77627752617169 15.999 > 1 7 O 0.00000000000000 0.66666666666667 0.77627752617169 15.999 > 1 8 O 0.33333333333333 0.66666666666667 0.77627752617169 15.999 > 1 9 O 0.66666666666667 0.66666666666667 0.77627752617169 15.999 > 1 10 O 0.11111111111111 0.22222222222222 0.89038914049497 15.999 > 10 11 O 0.44444444444444 0.22222222222222 0.89038914049497 15.999 > 10 12 O 0.77777777777778 0.22222222222222 0.89038914049497 15.999 > 10 13 O 0.11111111111111 0.55555555555556 0.89038914049497 15.999 > 10 14 O 0.44444444444444 0.55555555555556 0.89038914049497 15.999 > 10 15 O 0.77777777777778 0.55555555555556 0.89038914049497 15.999 > 10 16 O 0.11111111111111 0.88888888888889 0.89038914049497 15.999 > 10 17 O 0.44444444444444 0.88888888888889 0.89038914049497 15.999 > 10 18 O 0.77777777777778 0.88888888888889 0.89038914049497 15.999 > 10 19 O 0.22222222222222 0.11111111111111 0.10961085950502 15.999 > 1 20 O 0.55555555555556 0.11111111111111 0.10961085950502 15.999 > 1 21 O 0.88888888888889 0.11111111111111 0.10961085950502 15.999 > 1 22 O 0.22222222222222 0.44444444444444 0.10961085950502 15.999 > 1 23 O 0.55555555555556 0.44444444444444 0.10961085950502 15.999 > 1 24 O 0.88888888888889 0.44444444444444 0.10961085950502 15.999 > 1 25 O 0.22222222222222 0.77777777777778 0.10961085950502 15.999 > 1 26 O 0.55555555555556 0.77777777777778 0.10961085950502 15.999 > 1 27 O 0.88888888888889 0.77777777777778 0.10961085950502 15.999 > 1 28 O 0.00000000000000 0.00000000000000 0.22372247382831 15.999 > 10 29 O 0.33333333333333 0.00000000000000 0.22372247382831 15.999 > 10 30 O 0.66666666666667 0.00000000000000 0.22372247382831 15.999 > 10 31 O 0.00000000000000 0.33333333333333 0.22372247382831 15.999 > 10 32 O 0.33333333333333 0.33333333333333 0.22372247382831 15.999 > 10 33 O 0.66666666666667 0.33333333333333 0.22372247382831 15.999 > 10 34 O 0.00000000000000 0.66666666666667 0.22372247382831 15.999 > 10 35 O 0.33333333333333 0.66666666666667 0.22372247382831 15.999 > 10 36 O 0.66666666666667 0.66666666666667 0.22372247382831 15.999 > 10 37 O 0.11111111111111 0.22222222222222 0.44294419283836 15.999 > 1 38 O 0.44444444444444 0.22222222222222 0.44294419283836 15.999 > 1 39 O 0.77777777777778 0.22222222222222 0.44294419283836 15.999 > 1 40 O 0.11111111111111 0.55555555555556 0.44294419283836 15.999 > 1 41 O 0.44444444444444 0.55555555555556 0.44294419283836 15.999 > 1 42 O 0.77777777777778 0.55555555555556 0.44294419283836 15.999 > 1 43 O 0.11111111111111 0.88888888888889 0.44294419283836 15.999 > 1 44 O 0.44444444444444 0.88888888888889 0.44294419283836 15.999 > 1 45 O 0.77777777777778 0.88888888888889 0.44294419283836 15.999 > 1 46 O 0.22222222222222 0.11111111111111 0.55705580716164 15.999 > 10 47 O 0.55555555555556 0.11111111111111 0.55705580716164 15.999 > 10 48 O 0.88888888888889 0.11111111111111 0.55705580716164 15.999 > 10 49 O 0.22222222222222 0.44444444444444 0.55705580716164 15.999 > 10 50 O 0.55555555555556 0.44444444444444 0.55705580716164 15.999 > 10 51 O 0.88888888888889 0.44444444444444 0.55705580716164 15.999 > 10 52 O 0.22222222222222 0.77777777777778 0.55705580716164 15.999 > 10 53 O 0.55555555555556 0.77777777777778 0.55705580716164 15.999 > 10 54 O 0.88888888888889 0.77777777777778 0.55705580716164 15.999 > 10 55 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 55 56 Rb 0.33333333333333 0.00000000000000 0.00000000000000 85.468 > 55 57 Rb 0.66666666666667 0.00000000000000 0.00000000000000 85.468 > 55 58 Rb 0.00000000000000 0.33333333333333 0.00000000000000 85.468 > 55 59 Rb 0.33333333333333 0.33333333333333 0.00000000000000 85.468 > 55 60 Rb 0.66666666666667 0.33333333333333 0.00000000000000 85.468 > 55 61 Rb 0.00000000000000 0.66666666666667 0.00000000000000 85.468 > 55 62 Rb 0.33333333333333 0.66666666666667 0.00000000000000 85.468 > 55 63 Rb 0.66666666666667 0.66666666666667 0.00000000000000 85.468 > 55 64 Rb 0.22222222222222 0.11111111111111 0.33333333333333 85.468 > 55 65 Rb 0.55555555555556 0.11111111111111 0.33333333333333 85.468 > 55 66 Rb 0.88888888888889 0.11111111111111 0.33333333333333 85.468 > 55 67 Rb 0.22222222222222 0.44444444444444 0.33333333333333 85.468 > 55 68 Rb 0.55555555555556 0.44444444444444 0.33333333333333 85.468 > 55 69 Rb 0.88888888888889 0.44444444444444 0.33333333333333 85.468 > 55 70 Rb 0.22222222222222 0.77777777777778 0.33333333333333 85.468 > 55 71 Rb 0.55555555555556 0.77777777777778 0.33333333333333 85.468 > 55 72 Rb 0.88888888888889 0.77777777777778 0.33333333333333 85.468 > 55 73 Rb 0.11111111111111 0.22222222222222 0.66666666666667 85.468 > 55 74 Rb 0.44444444444444 0.22222222222222 0.66666666666667 85.468 > 55 75 Rb 0.77777777777778 0.22222222222222 0.66666666666667 85.468 > 55 76 Rb 0.11111111111111 0.55555555555556 0.66666666666667 85.468 > 55 77 Rb 0.44444444444444 0.55555555555556 0.66666666666667 85.468 > 55 78 Rb 0.77777777777778 0.55555555555556 0.66666666666667 85.468 > 55 79 Rb 0.11111111111111 0.88888888888889 0.66666666666667 85.468 > 55 80 Rb 0.44444444444444 0.88888888888889 0.66666666666667 85.468 > 55 81 Rb 0.77777777777778 0.88888888888889 0.66666666666667 85.468 > 55 82 Lu 0.22222222222222 0.11111111111111 0.83333333333333 174.967 > 82 83 Lu 0.55555555555556 0.11111111111111 0.83333333333333 174.967 > 82 84 Lu 0.88888888888889 0.11111111111111 0.83333333333333 174.967 > 82 85 Lu 0.22222222222222 0.44444444444444 0.83333333333333 174.967 > 82 86 Lu 0.55555555555556 0.44444444444444 0.83333333333333 174.967 > 82 87 Lu 0.88888888888889 0.44444444444444 0.83333333333333 174.967 > 82 88 Lu 0.22222222222222 0.77777777777778 0.83333333333333 174.967 > 82 89 Lu 0.55555555555556 0.77777777777778 0.83333333333333 174.967 > 82 90 Lu 0.88888888888889 0.77777777777778 0.83333333333333 174.967 > 82 91 Lu 0.11111111111111 0.22222222222222 0.16666666666667 174.967 > 82 92 Lu 0.44444444444444 0.22222222222222 0.16666666666667 174.967 > 82 93 Lu 0.77777777777778 0.22222222222222 0.16666666666667 174.967 > 82 94 Lu 0.11111111111111 0.55555555555556 0.16666666666667 174.967 > 82 95 Lu 0.44444444444444 0.55555555555556 0.16666666666667 174.967 > 82 96 Lu 0.77777777777778 0.55555555555556 0.16666666666667 174.967 > 82 97 Lu 0.11111111111111 0.88888888888889 0.16666666666667 174.967 > 82 98 Lu 0.44444444444444 0.88888888888889 0.16666666666667 174.967 > 82 99 Lu 0.77777777777778 0.88888888888889 0.16666666666667 174.967 > 82 100 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 82 101 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 82 102 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 82 103 Lu 0.00000000000000 0.33333333333333 0.50000000000000 174.967 > 82 104 Lu 0.33333333333333 0.33333333333333 0.50000000000000 174.967 > 82 105 Lu 0.66666666666667 0.33333333333333 0.50000000000000 174.967 > 82 106 Lu 0.00000000000000 0.66666666666667 0.50000000000000 174.967 > 82 107 Lu 0.33333333333333 0.66666666666667 0.50000000000000 174.967 > 82 108 Lu 0.66666666666667 0.66666666666667 0.50000000000000 174.967 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8560915 0.0000000 0.0000000 0.0000000 3.8560915 0.0000000 0.0000000 0.0000000 3.5600364 -------------------------- Born effective charges -------------------------- 1 O -2.5849532 -0.0000000 0.0000000 0.0000000 -2.5849532 0.0000000 0.0000000 0.0000000 -2.1314281 2 O -2.5849532 -0.0000000 0.0000000 0.0000000 -2.5849532 0.0000000 0.0000000 0.0000000 -2.1314281 3 Rb 1.0794632 0.0000000 0.0000000 0.0000000 1.0794632 0.0000000 0.0000000 0.0000000 1.7715853 4 Lu 4.0904431 0.0000000 0.0000000 0.0000000 4.0904431 0.0000000 0.0000000 0.0000000 2.4912709 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 17 17 17 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 1.04, Number of G-points: 307, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/489) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 4.528 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 11.286 ( 0.000 0.000 0.000) 0.000 11.286 ( 0.000 0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/489) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 19.087 11.020 7.045) 23.138 0.577 ( 24.569 14.185 -1.072) 28.390 1.052 ( 43.518 25.125 6.836) 50.713 2.179 ( 2.824 1.630 -0.531) 3.303 2.309 ( 12.104 6.988 -0.293) 13.979 4.524 ( -1.467 -0.847 3.556) 3.939 7.389 ( 5.284 3.051 0.329) 6.110 9.963 ( -15.131 -8.736 -12.984) 21.768 11.255 ( -2.607 -1.505 -0.035) 3.010 11.467 ( 15.109 8.723 -19.188) 25.934 14.426 ( -20.294 -11.717 4.846) 23.929 15.191 ( 10.589 6.114 -3.099) 12.614 ======================= Grid point 2 (3/489) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 18.899 10.911 5.131) 22.417 1.125 ( 22.541 13.014 -0.693) 26.038 2.032 ( 37.877 21.868 6.481) 44.214 2.274 ( 5.488 3.168 -0.985) 6.413 2.706 ( 22.112 12.766 -0.499) 25.537 4.487 ( -2.204 -1.272 -0.117) 2.547 7.573 ( 10.414 6.013 0.388) 12.031 9.527 ( -19.321 -11.155 0.625) 22.319 11.169 ( -4.601 -2.656 0.010) 5.312 11.764 ( 14.562 8.407 -21.314) 27.148 13.933 ( -23.612 -13.632 9.835) 28.984 15.363 ( 5.066 2.925 -4.186) 7.193 ======================= Grid point 3 (4/489) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 18.193 10.504 3.459) 21.290 1.607 ( 18.773 10.838 -0.219) 21.678 2.427 ( 8.052 4.649 -1.283) 9.385 2.787 ( 25.385 14.656 4.553) 29.664 3.343 ( 32.065 18.512 -0.252) 37.026 4.420 ( -3.316 -1.915 -1.643) 4.167 7.870 ( 14.917 8.613 0.034) 17.225 9.115 ( -15.472 -8.933 -0.543) 17.873 11.049 ( -5.575 -3.218 0.208) 6.440 11.979 ( 8.878 5.126 -20.671) 23.073 13.404 ( -25.042 -14.458 16.516) 33.301 15.406 ( 0.269 0.155 -6.444) 6.452 ======================= Grid point 4 (5/489) ======================= q-point: ( 0.24 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 16.627 9.599 3.004) 19.432 1.984 ( 13.604 7.854 0.090) 15.708 2.638 ( 10.266 5.927 -1.285) 11.924 3.290 ( 18.039 10.415 1.536) 20.887 4.082 ( 27.441 15.843 -4.488) 32.003 4.342 ( -0.443 -0.256 2.720) 2.768 8.255 ( 17.937 10.356 -0.694) 20.723 8.832 ( -7.695 -4.443 -4.660) 10.033 10.920 ( -5.462 -3.153 0.611) 6.336 12.027 ( 0.207 0.119 -21.964) 21.966 12.888 ( -24.157 -13.947 24.101) 36.864 15.356 ( -2.078 -1.200 -8.228) 8.571 ======================= Grid point 5 (6/489) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 14.276 8.242 3.750) 16.906 2.244 ( 8.968 5.178 0.094) 10.356 2.882 ( 10.618 6.130 -0.962) 12.298 3.646 ( 12.477 7.203 -3.450) 14.814 4.161 ( -4.634 -2.675 -2.467) 5.892 4.812 ( 25.111 14.498 3.318) 29.185 8.681 ( 18.544 10.706 -1.588) 21.472 8.744 ( 1.980 1.143 -8.341) 8.649 10.806 ( -4.528 -2.614 1.193) 5.363 11.830 ( -11.873 -6.855 -18.695) 23.183 12.452 ( -19.395 -11.198 23.956) 32.794 15.284 ( -1.504 -0.869 -8.126) 8.309 ======================= Grid point 6 (7/489) ======================= q-point: ( 0.35 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 5.793 3.345 0.007) 6.689 2.474 ( 11.801 6.813 4.891) 14.478 3.107 ( 8.663 5.002 -0.587) 10.020 3.781 ( -0.713 -0.411 -11.971) 11.999 4.115 ( 2.383 1.376 6.040) 6.637 5.333 ( 18.763 10.833 1.669) 21.730 8.872 ( 11.259 6.500 -10.175) 16.509 9.084 ( 16.214 9.361 -2.290) 18.862 10.720 ( -3.208 -1.852 1.753) 4.099 11.396 ( -21.283 -12.288 -5.624) 25.211 12.116 ( -14.626 -8.444 11.368) 20.358 15.249 ( 0.362 0.209 -6.090) 6.104 ======================= Grid point 7 (8/489) ======================= q-point: ( 0.41 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 3.350 1.934 -0.028) 3.868 2.741 ( 9.801 5.659 5.534) 12.598 3.272 ( 5.490 3.170 -0.304) 6.347 3.620 ( -7.956 -4.593 -9.390) 13.137 4.241 ( 5.122 2.957 3.455) 6.849 5.690 ( 11.609 6.703 0.847) 13.432 9.192 ( 18.614 10.747 -10.093) 23.745 9.399 ( 11.088 6.401 -2.253) 13.000 10.667 ( -1.861 -1.074 1.805) 2.806 10.841 ( -25.578 -14.767 3.286) 29.717 11.846 ( -9.983 -5.764 2.574) 11.812 15.257 ( 1.296 0.748 -3.428) 3.740 ======================= Grid point 8 (9/489) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 1.106 0.639 -0.015) 1.277 2.951 ( 6.008 3.469 3.896) 7.957 3.357 ( 1.867 1.078 -0.094) 2.157 3.419 ( -5.906 -3.410 -4.962) 8.434 4.334 ( 2.012 1.162 0.981) 2.522 5.874 ( 3.960 2.286 0.264) 4.580 9.571 ( 3.944 2.277 -0.989) 4.660 9.655 ( 22.725 13.120 -8.550) 27.598 10.254 ( -25.263 -14.586 6.707) 29.932 10.643 ( -0.606 -0.350 0.817) 1.075 11.688 ( -3.565 -2.058 0.092) 4.118 15.275 ( 0.660 0.381 -1.066) 1.311 ======================= Grid point 18 (10/489) ======================= q-point: ( 0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -0.000 20.527 20.049) 28.693 0.621 ( -0.000 27.720 8.302) 28.937 1.037 ( -0.000 49.438 3.921) 49.593 2.178 ( 0.000 3.297 -0.798) 3.392 2.304 ( 0.000 13.962 -1.245) 14.018 4.537 ( -0.000 -3.709 6.165) 7.195 7.390 ( -0.000 6.126 0.643) 6.160 9.860 ( 0.000 -6.956 -34.008) 34.712 11.253 ( 0.000 -3.089 -0.518) 3.132 11.455 ( 0.000 19.415 -19.167) 27.282 14.431 ( -0.000 -24.408 5.718) 25.068 15.172 ( 0.000 13.094 -6.610) 14.668 ======================= Grid point 19 (11/489) ======================= q-point: ( 0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 7.814 18.785 14.710) 25.106 1.039 ( 11.250 24.707 4.064) 27.450 1.781 ( 25.013 38.294 6.269) 46.167 2.243 ( 2.928 5.281 -1.267) 6.170 2.568 ( 11.224 18.919 -1.316) 22.038 4.501 ( -1.415 -2.649 0.609) 3.064 7.515 ( 5.153 9.093 0.912) 10.491 9.623 ( -7.648 -17.135 -5.257) 19.487 11.182 ( -2.411 -4.435 -1.100) 5.167 11.643 ( 5.870 18.403 -24.519) 31.214 14.087 ( -11.717 -24.184 9.091) 28.369 15.314 ( 4.069 7.348 -5.686) 10.143 ======================= Grid point 20 (12/489) ======================= q-point: ( 0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 12.625 15.846 9.456) 22.358 1.490 ( 12.851 20.124 2.018) 23.962 2.377 ( 5.238 7.971 -1.622) 9.675 2.563 ( 23.402 24.378 5.917) 34.307 3.073 ( 22.641 24.316 -1.250) 33.248 4.439 ( -2.286 -2.718 -2.109) 4.131 7.756 ( 10.003 11.773 0.859) 15.472 9.260 ( -13.266 -14.425 0.961) 19.622 11.085 ( -3.063 -4.723 -0.676) 5.670 11.837 ( 7.055 10.925 -25.088) 28.258 13.635 ( -16.610 -22.574 14.854) 31.719 15.390 ( 0.745 2.662 -6.512) 7.074 ======================= Grid point 21 (13/489) ======================= q-point: ( 0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 13.717 13.576 6.163) 20.260 1.885 ( 11.099 14.995 1.456) 18.713 2.575 ( 7.013 11.065 -1.653) 13.204 3.112 ( 17.082 14.595 3.006) 22.669 3.780 ( 27.368 23.974 -2.109) 36.445 4.361 ( -2.264 -2.354 -1.178) 3.472 8.097 ( 13.841 13.810 0.396) 19.556 8.925 ( -10.821 -8.408 -1.781) 13.818 10.981 ( -4.201 -3.011 -0.004) 5.168 11.925 ( 3.495 2.141 -24.410) 24.752 13.163 ( -18.531 -20.332 21.248) 34.760 15.362 ( -2.356 -0.108 -8.020) 8.359 ======================= Grid point 22 (14/489) ======================= q-point: ( 0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 13.201 11.012 4.964) 17.894 2.182 ( 7.706 10.949 0.965) 13.424 2.825 ( 7.547 13.416 -1.322) 15.450 3.497 ( 12.921 9.326 -1.087) 15.972 4.172 ( -0.068 -0.816 -7.107) 7.154 4.567 ( 21.880 17.044 5.630) 28.301 8.499 ( 15.244 13.540 -0.485) 20.395 8.738 ( -2.839 -0.671 -5.708) 6.411 10.883 ( -5.056 -0.467 0.592) 5.112 11.833 ( -3.913 -6.016 -22.461) 23.580 12.723 ( -18.153 -16.848 24.078) 34.542 15.280 ( -2.591 -1.349 -8.402) 8.895 ======================= Grid point 23 (15/489) ======================= q-point: ( 0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 11.213 7.687 4.960) 14.472 2.391 ( 5.145 9.439 0.583) 10.767 3.081 ( 5.839 14.014 -0.892) 15.208 3.713 ( 5.093 2.442 -9.575) 11.117 4.115 ( -0.355 -1.202 2.742) 3.015 5.121 ( 20.011 13.811 2.653) 24.459 8.721 ( 7.308 2.722 -7.511) 10.827 8.945 ( 13.838 15.546 -2.260) 20.935 10.800 ( -5.378 1.451 1.119) 5.682 11.540 ( -12.438 -11.678 -14.144) 22.162 12.338 ( -16.585 -12.366 17.465) 27.074 15.214 ( -0.134 -1.836 -6.771) 7.017 ======================= Grid point 24 (16/489) ======================= q-point: ( 0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 2.110 7.228 0.462) 7.544 2.640 ( 10.051 6.485 5.034) 12.978 3.291 ( 2.453 13.326 -0.550) 13.561 3.654 ( -4.676 -4.179 -12.059) 13.592 4.187 ( 4.892 1.630 5.387) 7.457 5.539 ( 14.404 8.333 1.557) 16.714 8.941 ( 15.354 6.496 -8.398) 18.668 9.311 ( 10.991 14.090 -2.846) 18.095 10.727 ( -5.201 1.141 1.597) 5.559 11.105 ( -19.273 -13.347 -3.283) 23.672 12.010 ( -13.632 -6.758 6.938) 16.722 15.199 ( 2.550 -2.476 -3.959) 5.320 ======================= Grid point 25 (17/489) ======================= q-point: ( 0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -0.631 6.505 0.067) 6.536 2.871 ( 8.342 3.961 4.511) 10.278 3.424 ( -1.592 11.690 -0.400) 11.805 3.469 ( -6.366 -4.349 -8.484) 11.464 4.292 ( 3.927 0.098 2.839) 4.847 5.797 ( 7.995 3.098 0.893) 8.620 9.315 ( 20.954 7.386 -6.736) 23.217 9.575 ( 5.790 10.897 -4.002) 12.972 10.550 ( -20.172 -10.337 5.078) 23.228 10.706 ( -7.054 -0.967 0.222) 7.124 11.790 ( -8.595 -0.260 1.045) 8.663 15.217 ( 3.535 -3.479 -1.226) 5.110 ======================= Grid point 26 (18/489) ======================= q-point: (-0.47 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( -3.082 5.307 -0.114) 6.138 2.975 ( -0.812 -2.088 -1.475) 2.682 3.374 ( 2.253 1.145 -0.363) 2.554 3.471 ( -5.612 9.827 -0.048) 11.317 4.328 ( 0.647 -2.246 0.732) 2.450 5.883 ( 0.746 -1.632 0.370) 1.832 9.604 ( -0.399 1.290 -0.205) 1.365 9.755 ( 9.434 -4.802 -3.061) 11.019 10.160 ( -10.447 8.332 2.367) 13.570 10.659 ( -0.712 0.960 0.234) 1.219 11.715 ( -2.697 4.518 -0.453) 5.281 15.235 ( 2.901 -4.350 1.080) 5.339 ======================= Grid point 27 (19/489) ======================= q-point: (-0.41 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( -5.253 3.543 -0.276) 6.342 2.826 ( -8.175 -5.097 -5.280) 10.986 3.427 ( -9.399 7.397 0.186) 11.962 3.535 ( 9.157 4.201 5.845) 11.647 4.273 ( -3.160 -4.104 -1.330) 5.348 5.792 ( -7.007 -5.538 -0.126) 8.932 9.372 ( -14.158 -14.464 5.664) 21.017 9.611 ( -13.324 0.163 3.933) 13.893 10.502 ( 20.494 13.359 -5.532) 25.081 10.702 ( 3.372 6.278 -0.696) 7.160 11.778 ( 3.825 6.340 -1.418) 7.539 15.238 ( 1.872 -4.340 3.248) 5.735 ======================= Grid point 28 (20/489) ======================= q-point: (-0.35 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -7.156 0.687 -0.841) 7.237 2.597 ( -10.667 -4.318 -4.300) 12.285 3.295 ( -12.679 4.680 0.431) 13.523 3.754 ( 7.768 2.798 9.457) 12.554 4.139 ( -5.261 -4.357 -4.760) 8.326 5.529 ( -14.853 -8.492 -0.700) 17.124 9.020 ( -12.395 -11.087 8.593) 18.719 9.337 ( -18.002 -2.563 2.887) 18.411 10.713 ( 1.523 5.591 -1.366) 5.954 11.114 ( 24.593 12.734 -1.531) 27.737 11.952 ( 9.471 6.164 -5.388) 12.519 15.242 ( 1.656 -2.963 5.427) 6.401 ======================= Grid point 29 (21/489) ======================= q-point: (-0.29 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -12.324 -6.064 -3.636) 14.208 2.388 ( -10.477 0.270 -0.129) 10.481 3.088 ( -14.926 2.077 0.695) 15.086 3.791 ( -8.622 -5.076 7.364) 12.423 4.089 ( 5.586 1.604 -3.047) 6.562 5.101 ( -22.717 -10.695 -1.548) 25.157 8.791 ( -6.813 -6.676 7.559) 12.171 8.969 ( -20.002 -4.204 2.967) 20.654 10.789 ( 1.414 5.767 -1.222) 6.063 11.651 ( 22.218 8.410 9.158) 25.461 12.180 ( 13.568 5.644 -15.955) 21.691 15.278 ( 2.430 -0.653 7.057) 7.493 ======================= Grid point 30 (22/489) ======================= q-point: (-0.24 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -16.169 -6.246 -2.098) 17.460 2.177 ( -13.369 -1.612 -0.027) 13.466 2.835 ( -15.210 0.229 0.875) 15.237 3.505 ( -16.494 -7.214 0.708) 18.016 4.226 ( 5.231 1.389 4.363) 6.952 4.521 ( -28.933 -11.569 -4.047) 31.422 8.506 ( -19.817 -7.072 1.045) 21.067 8.792 ( 1.162 0.781 6.145) 6.303 10.876 ( 3.092 4.406 -0.913) 5.459 12.034 ( 8.283 1.179 21.181) 22.773 12.493 ( 23.768 8.197 -26.095) 36.236 15.351 ( 2.868 1.095 7.089) 7.725 ======================= Grid point 31 (23/489) ======================= q-point: (-0.18 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -19.344 -6.145 -1.127) 20.328 1.879 ( -18.480 -2.721 0.300) 18.682 2.586 ( -12.943 -0.561 0.821) 12.981 3.090 ( -22.620 -7.585 -1.673) 23.916 3.790 ( -35.751 -11.874 0.238) 37.672 4.369 ( 4.816 1.284 0.548) 5.014 8.097 ( -19.042 -5.550 0.311) 19.837 8.945 ( 11.267 3.908 2.533) 12.192 10.978 ( 4.904 2.429 -0.487) 5.495 12.111 ( -3.327 -2.073 14.555) 15.073 12.988 ( 29.025 7.959 -15.613) 33.905 15.423 ( 1.287 1.104 5.255) 5.522 ======================= Grid point 32 (24/489) ======================= q-point: (-0.12 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -21.581 -4.955 -0.897) 22.161 1.484 ( -23.869 -2.234 0.658) 23.982 2.387 ( -9.447 -0.617 0.500) 9.480 2.524 ( -34.296 -7.354 -2.551) 35.168 3.079 ( -32.139 -7.116 0.024) 32.917 4.451 ( 3.202 0.575 0.482) 3.289 7.752 ( -15.297 -3.043 -0.034) 15.597 9.256 ( 18.670 4.094 -0.122) 19.114 11.088 ( 5.770 0.690 -0.096) 5.811 12.000 ( -10.821 -1.868 9.178) 14.312 13.531 ( 29.012 5.149 -6.718) 30.221 15.432 ( -2.643 -0.059 2.512) 3.647 ======================= Grid point 33 (25/489) ======================= q-point: (-0.06 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -22.564 0.000 0.000) 22.564 1.021 ( -27.621 0.000 0.000) 27.621 1.753 ( -46.522 0.000 0.000) 46.522 2.249 ( -6.016 0.000 0.000) 6.016 2.574 ( -21.989 0.000 0.000) 21.989 4.497 ( 1.841 -0.000 -0.000) 1.841 7.511 ( -10.467 0.000 0.000) 10.467 9.647 ( 22.761 -0.000 -0.000) 22.761 11.187 ( 5.107 -0.000 -0.000) 5.107 11.764 ( -16.427 0.000 0.000) 16.427 14.041 ( 27.014 -0.000 -0.000) 27.014 15.342 ( -7.813 0.000 0.000) 7.813 ======================= Grid point 36 (26/489) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.000 20.084 17.658) 26.742 1.203 ( -0.000 24.950 7.383) 26.019 2.009 ( -0.000 43.455 4.421) 43.679 2.268 ( 0.000 6.394 -1.615) 6.595 2.691 ( 0.000 25.336 -2.047) 25.419 4.482 ( 0.000 -3.384 -0.784) 3.473 7.582 ( -0.000 12.266 1.272) 12.331 9.484 ( 0.000 -17.170 -3.746) 17.573 11.160 ( 0.000 -5.534 -1.011) 5.625 11.716 ( 0.000 17.748 -24.613) 30.345 13.935 ( -0.000 -28.780 9.459) 30.295 15.342 ( 0.000 7.767 -5.979) 9.802 ======================= Grid point 37 (27/489) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 3.028 19.409 14.371) 24.339 1.542 ( 7.501 21.592 5.449) 23.499 2.374 ( 4.144 8.671 -1.897) 9.796 2.545 ( 12.319 31.928 4.858) 34.565 3.058 ( 10.387 31.092 -2.244) 32.858 4.431 ( -1.188 -3.424 -2.716) 4.529 7.766 ( 4.804 15.040 1.521) 15.862 9.269 ( -5.326 -15.928 1.743) 16.885 11.073 ( -2.079 -5.518 -1.498) 6.084 11.808 ( 1.608 11.859 -26.539) 29.113 13.617 ( -6.567 -28.248 13.473) 31.978 15.397 ( 0.335 4.341 -5.965) 7.385 ======================= Grid point 38 (28/489) ======================= q-point: ( 0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 7.187 16.918 10.278) 21.059 1.893 ( 8.224 17.351 3.719) 19.559 2.574 ( 6.996 12.560 -1.818) 14.492 3.031 ( 12.242 19.519 2.923) 23.225 3.639 ( 18.782 30.856 -2.586) 36.215 4.364 ( -1.544 -2.686 -2.262) 3.836 8.056 ( 9.133 17.206 1.624) 19.548 9.006 ( -9.098 -10.614 1.211) 14.032 10.992 ( -1.207 -3.795 -1.108) 4.133 11.830 ( 1.292 2.979 -26.816) 27.012 13.243 ( -10.421 -25.584 18.598) 33.302 15.387 ( -2.418 1.192 -6.755) 7.273 ======================= Grid point 39 (29/489) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 9.183 13.555 7.362) 17.951 2.190 ( 6.773 13.687 2.604) 15.491 2.848 ( 7.723 16.634 -1.451) 18.397 3.393 ( 10.566 12.054 -0.489) 16.037 4.115 ( 5.830 6.261 -8.967) 12.394 4.448 ( 12.702 15.502 5.906) 20.893 8.424 ( 11.443 17.433 1.442) 20.903 8.789 ( -6.246 -2.802 -2.423) 7.262 10.947 ( -1.689 -0.037 -0.265) 1.710 11.738 ( -1.191 -6.079 -24.878) 25.638 12.865 ( -12.321 -21.816 21.490) 33.009 15.304 ( -4.288 -0.894 -7.511) 8.694 ======================= Grid point 40 (30/489) ======================= q-point: ( 0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 9.488 9.622 6.196) 14.866 2.426 ( 4.677 12.453 1.498) 13.386 3.148 ( 6.088 18.873 -1.153) 19.864 3.618 ( 6.171 4.260 -7.410) 10.542 4.111 ( -0.272 -1.406 -0.361) 1.477 4.949 ( 17.885 17.141 3.258) 24.986 8.649 ( 1.955 2.946 -3.558) 5.016 8.891 ( 11.040 17.751 -1.009) 20.928 10.920 ( -4.022 4.073 -0.103) 5.725 11.520 ( -5.326 -12.083 -18.936) 23.086 12.508 ( -13.024 -17.331 18.828) 28.714 15.196 ( -3.103 -2.511 -7.012) 8.069 ======================= Grid point 41 (31/489) ======================= q-point: ( 0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 7.890 6.280 5.419) 11.448 2.620 ( 3.174 12.315 0.978) 12.755 3.417 ( 2.725 19.193 -1.061) 19.415 3.628 ( -1.196 -3.109 -12.589) 13.022 4.146 ( 3.082 0.939 5.789) 6.625 5.380 ( 14.605 10.114 1.971) 17.874 8.766 ( 9.003 5.842 -5.392) 12.011 9.273 ( 10.853 17.437 -1.239) 20.576 10.872 ( -6.906 4.867 -1.301) 8.548 11.212 ( -10.446 -12.785 -8.662) 18.644 12.186 ( -12.312 -10.887 11.234) 19.908 15.118 ( 0.448 -4.362 -4.971) 6.629 ======================= Grid point 42 (32/489) ======================= q-point: ( 0.47 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 1.867 8.222 2.407) 8.769 2.799 ( 5.335 7.174 2.589) 9.308 3.489 ( -4.524 -4.412 -10.850) 12.556 3.616 ( -1.813 18.387 -0.537) 18.484 4.232 ( 3.655 -0.246 4.626) 5.901 5.671 ( 10.295 3.527 1.312) 10.961 9.044 ( 16.212 7.772 -4.808) 18.611 9.577 ( 6.345 12.573 -2.606) 14.323 10.765 ( -6.901 0.136 -3.252) 7.630 10.860 ( -16.914 -6.526 2.060) 18.246 11.954 ( -9.200 -1.768 3.764) 10.096 15.092 ( 3.824 -6.371 -2.213) 7.753 ======================= Grid point 43 (33/489) ======================= q-point: ( 0.53 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -3.649 9.471 0.244) 10.153 2.935 ( 3.621 0.092 0.901) 3.732 3.365 ( -1.688 -0.533 -5.325) 5.611 3.721 ( -6.551 16.920 -0.212) 18.146 4.280 ( 2.057 -2.685 2.368) 4.129 5.817 ( 4.990 -1.808 0.859) 5.376 9.424 ( 19.223 5.635 -3.053) 20.263 9.677 ( -2.875 0.495 -2.762) 4.018 10.550 ( -19.418 9.176 4.545) 21.952 10.660 ( -0.638 -3.438 -1.521) 3.813 11.847 ( -6.033 5.020 -0.128) 7.850 15.101 ( 5.391 -7.717 0.448) 9.424 ======================= Grid point 44 (34/489) ======================= q-point: (-0.41 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( -6.636 5.386 -1.416) 8.663 2.895 ( -5.233 -1.613 -3.045) 6.265 3.437 ( 7.344 3.582 1.942) 8.399 3.726 ( -11.140 14.549 0.263) 18.326 4.259 ( -0.747 -4.658 0.267) 4.725 5.813 ( -1.467 -5.477 0.454) 5.688 9.455 ( -9.849 -13.303 0.534) 16.561 9.730 ( 4.026 3.051 2.370) 5.580 10.471 ( -2.089 17.240 -3.621) 17.739 10.696 ( 3.173 4.383 2.184) 5.835 11.828 ( -2.433 6.264 -2.055) 7.027 15.123 ( 5.399 -7.545 2.746) 9.676 ======================= Grid point 45 (35/489) ======================= q-point: (-0.35 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -7.688 -2.297 -3.597) 8.793 2.764 ( -10.016 3.978 -1.383) 10.865 3.618 ( -8.228 8.618 0.233) 11.917 3.653 ( 3.205 5.789 5.397) 8.539 4.163 ( -3.946 -5.391 -2.104) 7.005 5.659 ( -8.859 -7.345 0.036) 11.508 9.133 ( -11.619 -11.990 4.688) 17.342 9.630 ( -14.661 -0.681 2.904) 14.961 10.765 ( 7.169 15.936 -3.222) 17.769 10.849 ( 12.600 7.417 0.423) 14.627 11.878 ( 3.299 4.008 -3.883) 6.483 15.157 ( 5.004 -5.564 4.560) 8.763 ======================= Grid point 46 (36/489) ======================= q-point: (-0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -9.613 -4.135 -3.412) 11.007 2.608 ( -12.228 3.748 -0.412) 12.796 3.433 ( -18.013 7.669 0.607) 19.587 3.841 ( 4.611 -0.300 10.252) 11.245 4.023 ( -2.477 -2.987 -7.490) 8.436 5.357 ( -17.012 -7.763 -0.444) 18.705 8.872 ( -8.317 -7.663 5.842) 12.729 9.304 ( -20.608 -2.326 2.080) 20.843 10.879 ( -2.934 10.529 -0.039) 10.931 11.319 ( 25.514 7.807 0.679) 26.690 11.994 ( 8.355 1.521 -7.440) 11.290 15.218 ( 4.963 -2.509 5.481) 7.808 ======================= Grid point 47 (37/489) ======================= q-point: (-0.24 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -13.180 -3.561 -1.978) 13.795 2.410 ( -13.457 1.449 -0.186) 13.536 3.165 ( -19.285 4.181 0.636) 19.743 3.709 ( -12.895 -4.932 2.488) 14.028 4.115 ( 9.018 1.394 -0.298) 9.130 4.907 ( -25.642 -7.146 -1.006) 26.638 8.716 ( -7.099 -3.753 3.508) 8.763 8.925 ( -17.835 -2.121 2.439) 18.126 10.915 ( -2.041 6.273 -0.548) 6.619 11.843 ( 23.779 3.986 13.142) 27.460 12.142 ( 12.148 1.204 -17.918) 21.681 15.309 ( 4.869 -0.030 4.933) 6.931 ======================= Grid point 48 (38/489) ======================= q-point: (-0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -17.417 -2.361 -0.640) 17.588 2.165 ( -15.599 -0.024 -0.043) 15.599 2.866 ( -17.934 1.396 0.397) 17.993 3.395 ( -18.483 -3.243 0.033) 18.765 4.266 ( 2.660 -0.242 5.435) 6.056 4.328 ( -28.951 -4.125 -5.302) 29.720 8.413 ( -20.999 -2.467 0.296) 21.146 8.834 ( 4.140 0.522 2.302) 4.766 10.945 ( 1.084 2.268 -0.403) 2.546 12.133 ( 3.267 -1.046 11.376) 11.882 12.485 ( 29.669 3.468 -13.315) 32.704 15.403 ( 3.649 0.644 2.851) 4.675 ======================= Grid point 49 (39/489) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -20.727 0.000 0.000) 20.727 1.858 ( -19.673 0.000 0.000) 19.673 2.590 ( -14.055 0.000 0.000) 14.055 3.002 ( -24.863 0.000 0.000) 24.863 3.663 ( -37.432 0.000 0.000) 37.432 4.384 ( 4.992 -0.000 -0.000) 4.992 8.041 ( -19.418 0.000 0.000) 19.418 8.996 ( 12.785 -0.000 -0.000) 12.785 11.002 ( 4.183 -0.000 -0.000) 4.183 12.133 ( -3.924 0.000 0.000) 3.924 13.020 ( 30.745 -0.000 -0.000) 30.745 15.452 ( 0.877 -0.000 -0.000) 0.877 ======================= Grid point 54 (40/489) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.000 18.151 14.551) 23.264 1.699 ( -0.000 19.907 5.928) 20.771 2.416 ( 0.000 9.538 -2.226) 9.794 2.779 ( -0.000 29.891 3.957) 30.151 3.305 ( 0.000 36.268 -2.714) 36.370 4.397 ( 0.000 -3.522 -3.380) 4.881 7.895 ( -0.000 17.766 1.667) 17.844 9.172 ( -0.000 -13.106 3.816) 13.650 11.026 ( 0.000 -6.811 -1.332) 6.940 11.811 ( 0.000 6.912 -29.305) 30.109 13.419 ( -0.000 -29.047 15.179) 32.774 15.422 ( 0.000 3.828 -5.235) 6.485 ======================= Grid point 55 (41/489) ======================= q-point: ( 0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 1.715 16.614 11.962) 20.544 1.954 ( 5.498 15.891 4.791) 17.485 2.571 ( 6.133 12.051 -2.022) 13.672 3.105 ( 4.827 22.548 2.211) 23.165 3.732 ( 7.672 33.940 -3.891) 35.013 4.352 ( -0.477 -1.325 -1.891) 2.358 8.130 ( 4.565 19.766 1.857) 20.371 9.034 ( -4.610 -8.657 3.920) 10.562 10.949 ( -0.109 -5.672 -1.499) 5.868 11.753 ( -0.054 -0.776 -29.943) 29.953 13.151 ( -3.942 -26.914 18.018) 32.628 15.423 ( -1.766 1.956 -5.117) 5.756 ======================= Grid point 56 (42/489) ======================= q-point: ( 0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 4.400 13.896 9.124) 17.196 2.217 ( 6.671 12.587 3.584) 14.690 2.852 ( 10.154 15.565 -1.380) 18.635 3.388 ( 5.179 15.013 -1.367) 15.940 4.077 ( 3.757 8.435 -8.488) 12.543 4.460 ( 7.408 18.671 4.970) 20.693 8.453 ( 7.908 20.292 2.323) 21.902 8.877 ( -6.820 -2.247 0.831) 7.228 10.925 ( 2.482 -2.109 -0.980) 3.401 11.610 ( -1.081 -8.333 -27.124) 28.395 12.857 ( -6.776 -23.917 19.023) 31.302 15.361 ( -4.694 0.048 -5.635) 7.334 ======================= Grid point 57 (43/489) ======================= q-point: ( 0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 6.046 10.266 7.380) 14.015 2.463 ( 6.406 11.911 2.417) 13.739 3.202 ( 9.990 18.524 -1.101) 21.075 3.558 ( 3.306 5.729 -7.726) 10.171 4.100 ( 0.300 0.038 -1.014) 1.058 4.884 ( 12.232 20.977 3.291) 24.504 8.690 ( -2.060 5.626 -0.071) 5.992 8.909 ( 7.590 18.101 0.264) 19.630 10.978 ( 2.483 3.374 -0.636) 4.237 11.391 ( -2.369 -13.619 -21.663) 25.698 12.553 ( -8.361 -20.817 17.149) 28.238 15.236 ( -6.166 -1.788 -6.027) 8.806 ======================= Grid point 58 (44/489) ======================= q-point: ( 0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 6.655 6.737 6.458) 11.462 2.693 ( 4.785 12.905 1.307) 13.825 3.536 ( 4.859 17.090 -3.400) 18.089 3.572 ( 1.655 0.483 -10.347) 10.489 4.135 ( 1.740 1.755 5.374) 5.915 5.270 ( 11.128 12.731 1.973) 17.023 8.723 ( 1.835 6.859 -2.307) 7.466 9.278 ( 9.708 19.310 0.856) 21.629 11.003 ( -4.948 0.215 -8.498) 9.836 11.179 ( -0.853 -6.961 -7.050) 9.944 12.263 ( -8.089 -16.290 12.698) 22.182 15.091 ( -4.536 -4.135 -5.483) 8.230 ======================= Grid point 59 (45/489) ======================= q-point: ( 0.47 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 6.864 4.567 5.524) 9.924 2.881 ( 1.097 12.728 0.163) 12.776 3.468 ( -1.989 -4.198 -11.640) 12.532 3.809 ( 1.873 18.483 -0.919) 18.600 4.208 ( 1.837 2.275 5.674) 6.383 5.536 ( 9.201 4.144 1.328) 10.178 8.896 ( 9.136 9.245 -1.880) 13.133 9.596 ( 6.280 14.088 -0.311) 15.428 10.784 ( -5.589 -11.377 -10.287) 16.325 11.130 ( -9.581 8.261 2.303) 12.858 12.054 ( -4.855 -7.311 6.612) 10.989 14.975 ( -0.311 -7.094 -3.729) 8.020 ======================= Grid point 60 (46/489) ======================= q-point: ( 0.53 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 6.287 3.202 4.025) 8.123 2.963 ( -4.125 8.307 -1.755) 9.439 3.378 ( -1.632 0.377 -7.520) 7.704 3.970 ( -1.548 13.095 0.211) 13.188 4.265 ( -0.964 4.343 3.212) 5.487 5.687 ( 7.012 -2.830 1.025) 7.631 9.192 ( 13.962 8.384 -0.937) 16.312 9.734 ( -1.558 4.122 -1.615) 4.693 10.598 ( -0.399 -8.713 -4.836) 9.973 11.001 ( -16.884 13.227 3.506) 21.733 11.980 ( -3.361 2.314 1.263) 4.272 14.919 ( 4.325 -9.477 -1.162) 10.482 ======================= Grid point 61 (47/489) ======================= q-point: (-0.41 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -4.610 -2.694 -3.865) 6.591 2.981 ( -1.200 8.562 2.153) 8.909 3.391 ( 1.797 4.818 -2.387) 5.669 4.026 ( -4.051 7.518 1.503) 8.671 4.268 ( -5.374 5.601 0.418) 7.773 5.733 ( 3.615 -6.907 0.789) 7.836 9.418 ( 2.259 -5.115 -1.668) 5.835 9.708 ( 1.407 5.331 1.964) 5.853 10.541 ( 2.250 -5.496 -4.344) 7.358 10.919 ( -11.771 21.128 4.745) 24.647 11.948 ( -4.767 4.533 -2.268) 6.958 14.926 ( 7.352 -9.628 1.418) 12.197 ======================= Grid point 62 (48/489) ======================= q-point: (-0.35 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -7.063 -3.324 -3.865) 8.710 2.992 ( -8.091 8.082 0.319) 11.441 3.517 ( 7.778 3.157 0.997) 8.453 3.991 ( -8.938 6.745 2.469) 11.467 4.190 ( -7.589 1.990 -1.874) 8.067 5.678 ( -1.730 -7.672 0.484) 7.879 9.215 ( -9.903 -10.051 0.826) 14.134 9.806 ( -3.586 2.291 3.086) 5.256 10.605 ( 11.806 2.394 -4.585) 12.890 11.017 ( -5.360 20.844 4.546) 21.997 11.890 ( -3.124 0.783 -4.504) 5.537 14.986 ( 8.331 -7.199 3.168) 11.457 ======================= Grid point 63 (49/489) ======================= q-point: (-0.29 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -8.139 -2.735 -2.702) 9.001 2.874 ( -12.671 5.306 -0.299) 13.740 3.704 ( 8.675 1.786 1.864) 9.051 3.857 ( -15.425 7.883 4.021) 17.783 4.049 ( -6.055 -3.438 -4.060) 8.060 5.517 ( -9.069 -6.021 0.128) 10.887 8.962 ( -9.128 -6.835 2.596) 11.695 9.624 ( -16.538 -0.986 1.559) 16.640 10.955 ( 22.786 4.746 -1.970) 23.358 11.108 ( -7.630 15.361 2.836) 17.384 11.864 ( 3.845 -2.635 -5.062) 6.881 15.087 ( 8.082 -3.606 3.526) 9.527 ======================= Grid point 64 (50/489) ======================= q-point: (-0.24 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -10.014 -1.587 -1.280) 10.220 2.671 ( -14.316 1.977 -0.185) 14.453 3.567 ( -20.726 4.236 0.365) 21.158 3.857 ( -6.302 -2.686 6.260) 9.280 3.956 ( 8.150 0.514 -5.437) 9.810 5.236 ( -17.875 -3.372 -0.142) 18.190 8.790 ( -5.872 -2.761 2.108) 6.823 9.276 ( -21.503 -1.057 0.683) 21.540 11.072 ( -8.434 6.371 0.302) 10.574 11.434 ( 27.147 2.751 1.492) 27.327 11.943 ( 8.384 -1.532 -4.473) 9.626 15.210 ( 7.275 -0.835 2.363) 7.695 ======================= Grid point 65 (51/489) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -13.459 0.000 0.000) 13.459 2.426 ( -14.585 0.000 0.000) 14.585 3.219 ( -20.923 0.000 0.000) 20.923 3.660 ( -13.594 0.000 0.000) 13.594 4.129 ( 9.598 -0.000 -0.000) 9.598 4.828 ( -26.781 0.000 0.000) 26.781 8.688 ( -7.653 0.000 0.000) 7.653 8.911 ( -16.267 0.000 0.000) 16.267 10.986 ( -4.221 0.000 0.000) 4.221 11.952 ( 29.784 -0.000 -0.000) 29.784 12.064 ( 6.705 -0.000 -0.000) 6.705 15.326 ( 5.835 -0.000 -0.000) 5.835 ======================= Grid point 72 (52/489) ======================= q-point: ( 0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -0.000 14.383 11.516) 18.425 2.063 ( -0.000 13.203 3.753) 13.726 2.627 ( 0.000 12.505 -2.003) 12.664 3.296 ( -0.000 20.775 0.543) 20.782 3.967 ( 0.000 24.006 -7.147) 25.048 4.375 ( -0.000 8.720 1.995) 8.945 8.302 ( -0.000 21.163 1.389) 21.208 9.023 ( -0.000 -4.210 4.950) 6.498 10.881 ( 0.000 -6.555 -1.159) 6.657 11.618 ( 0.000 -7.365 -31.289) 32.144 12.975 ( -0.000 -25.198 18.126) 31.040 15.447 ( 0.000 1.871 -3.913) 4.337 ======================= Grid point 73 (53/489) ======================= q-point: ( 0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 1.163 12.169 9.370) 15.402 2.237 ( 4.909 10.147 2.994) 11.663 2.825 ( 8.088 13.741 -1.400) 16.006 3.486 ( 0.871 14.699 -3.841) 15.217 4.082 ( 0.645 3.793 -6.299) 7.381 4.606 ( 3.616 26.309 4.518) 26.937 8.562 ( 4.480 21.360 1.428) 21.872 8.977 ( -4.489 0.862 2.779) 5.350 10.837 ( 2.638 -4.488 -0.784) 5.264 11.426 ( 0.296 -12.937 -27.782) 30.648 12.757 ( -3.093 -23.218 16.709) 28.772 15.425 ( -3.292 1.074 -3.622) 5.011 ======================= Grid point 74 (54/489) ======================= q-point: ( 0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 2.920 9.424 7.768) 12.557 2.450 ( 7.636 9.067 2.192) 12.055 3.157 ( 13.162 14.864 -1.038) 19.881 3.571 ( -0.585 5.380 -10.264) 11.604 4.105 ( 0.324 2.647 1.017) 2.854 4.968 ( 5.782 24.315 3.156) 25.191 8.816 ( -1.968 10.622 1.433) 10.898 8.986 ( 3.452 15.757 0.032) 16.131 10.898 ( 7.310 -0.150 -0.076) 7.312 11.203 ( -0.575 -15.894 -22.060) 27.195 12.504 ( -5.313 -21.462 14.049) 26.195 15.328 ( -6.913 -0.209 -4.026) 8.003 ======================= Grid point 75 (55/489) ======================= q-point: ( 0.41 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 4.166 6.453 6.769) 10.238 2.696 ( 8.678 9.957 1.419) 13.284 3.504 ( 3.360 1.025 -9.911) 10.515 3.569 ( 8.000 13.560 -4.268) 16.312 4.155 ( 0.492 3.290 5.350) 6.299 5.281 ( 5.061 16.496 1.986) 17.369 8.817 ( -3.765 8.491 -0.827) 9.325 9.320 ( 8.839 19.838 1.346) 21.759 10.948 ( -2.736 -15.004 -16.664) 22.590 11.083 ( 9.736 4.046 0.257) 10.546 12.237 ( -5.825 -18.891 10.999) 22.622 15.163 ( -8.817 -2.160 -4.479) 10.122 ======================= Grid point 76 (56/489) ======================= q-point: ( 0.47 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 5.193 4.148 5.634) 8.713 2.945 ( 6.518 11.100 0.654) 12.889 3.415 ( -1.432 -4.328 -11.556) 12.423 3.903 ( 6.774 15.643 -1.522) 17.114 4.225 ( 2.600 3.747 5.997) 7.534 5.479 ( 3.431 7.122 1.201) 7.996 8.899 ( 2.253 10.972 -0.027) 11.201 9.638 ( 6.025 15.113 0.937) 16.296 10.692 ( -3.534 -15.076 -12.058) 19.626 11.300 ( 3.941 11.143 0.389) 11.825 12.020 ( -2.155 -13.705 7.924) 15.977 14.967 ( -7.450 -5.063 -4.267) 9.968 ======================= Grid point 77 (57/489) ======================= q-point: ( 0.53 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 5.856 2.221 3.919) 7.388 3.096 ( -1.682 7.183 -1.510) 7.530 3.363 ( 2.488 1.604 -7.485) 8.049 4.038 ( -0.576 2.479 1.729) 3.077 4.395 ( 3.002 14.998 2.143) 15.445 5.560 ( 3.197 -2.382 0.867) 4.080 9.106 ( 7.642 11.401 1.508) 13.808 9.804 ( -0.549 6.753 -0.609) 6.803 10.477 ( -0.637 -12.635 -7.487) 14.700 11.383 ( -9.015 13.899 1.837) 16.668 11.978 ( 4.415 -3.265 3.429) 6.474 14.797 ( -2.461 -8.269 -2.881) 9.096 ======================= Grid point 78 (58/489) ======================= q-point: ( 0.59 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 1.966 -1.276 -0.307) 2.364 3.077 ( -1.940 3.739 -0.232) 4.219 3.452 ( 0.338 9.745 -4.187) 10.612 4.016 ( 0.501 -5.886 3.132) 6.686 4.558 ( -6.324 19.741 -0.083) 20.729 5.569 ( 4.969 -9.341 0.822) 10.612 9.342 ( 5.457 5.458 1.233) 7.816 9.779 ( -3.753 2.881 0.166) 4.734 10.385 ( 4.378 -9.492 -4.885) 11.538 11.352 ( -11.721 17.450 3.817) 21.365 12.033 ( -0.432 2.148 -1.200) 2.498 14.716 ( 4.459 -9.469 -0.541) 10.481 ======================= Grid point 79 (59/489) ======================= q-point: (-0.35 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -5.223 -2.596 -2.714) 6.433 3.141 ( 0.906 5.178 1.909) 5.592 3.505 ( -2.409 7.412 -2.602) 8.217 3.985 ( 2.880 -7.151 2.584) 8.131 4.544 ( -15.606 15.590 -0.791) 22.073 5.565 ( 5.062 -9.326 0.647) 10.631 9.296 ( -8.310 -4.805 -0.516) 9.613 9.858 ( 2.609 6.416 3.508) 7.764 10.399 ( 8.831 -5.435 -4.355) 11.247 11.378 ( -8.456 19.775 5.107) 22.105 11.961 ( -6.758 -1.829 -4.531) 8.340 14.759 ( 9.482 -7.031 1.331) 11.879 ======================= Grid point 80 (60/489) ======================= q-point: (-0.29 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -7.050 -1.424 -1.493) 7.346 3.126 ( -9.343 3.983 0.275) 10.160 3.568 ( 6.283 1.510 -0.062) 6.462 3.980 ( 1.147 -3.087 1.293) 3.538 4.336 ( -20.158 6.768 -0.884) 21.282 5.546 ( -0.138 -4.439 0.262) 4.448 9.079 ( -10.073 -3.607 0.353) 10.705 9.850 ( -8.843 0.682 1.403) 8.980 10.613 ( 18.758 0.610 -1.659) 18.841 11.448 ( -9.528 17.394 5.202) 20.503 11.780 ( -2.972 -8.537 -5.671) 10.671 14.894 ( 10.667 -2.954 1.470) 11.166 ======================= Grid point 81 (61/489) ======================= q-point: (-0.24 0.24 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -8.197 0.000 0.000) 8.197 2.932 ( -13.959 0.000 0.000) 13.959 3.727 ( 9.246 -0.000 -0.000) 9.246 3.953 ( -3.222 0.000 0.000) 3.222 4.002 ( -20.255 0.000 0.000) 20.255 5.451 ( -8.664 0.000 0.000) 8.664 8.900 ( -8.247 0.000 0.000) 8.247 9.618 ( -17.349 0.000 0.000) 17.349 10.996 ( 24.047 -0.000 -0.000) 24.047 11.316 ( -13.999 0.000 0.000) 13.999 11.783 ( 7.361 -0.000 -0.000) 7.361 15.061 ( 9.431 -0.000 -0.000) 9.431 ======================= Grid point 90 (62/489) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -0.000 9.763 8.946) 13.242 2.287 ( -0.000 8.062 1.502) 8.201 2.877 ( 0.000 12.720 -1.199) 12.776 3.585 ( 0.000 8.449 -9.269) 12.542 4.099 ( 0.000 3.753 -0.801) 3.837 4.869 ( -0.000 28.262 3.840) 28.522 8.736 ( -0.000 20.759 0.073) 20.759 9.053 ( -0.000 4.484 1.807) 4.834 10.762 ( 0.000 -4.541 -0.130) 4.543 11.190 ( 0.000 -16.388 -24.302) 29.312 12.602 ( -0.000 -22.280 13.649) 26.129 15.461 ( 0.000 1.611 -2.335) 2.837 ======================= Grid point 91 (63/489) ======================= q-point: ( 0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 1.002 7.772 6.886) 10.432 2.414 ( 5.304 6.465 1.675) 8.529 3.082 ( 9.334 12.001 -0.939) 15.232 3.584 ( -0.954 0.570 -13.512) 13.558 4.158 ( -0.197 6.499 3.962) 7.614 5.168 ( 1.612 24.796 3.046) 25.035 8.959 ( 1.042 15.677 -0.151) 15.712 9.095 ( -0.280 10.942 -1.674) 11.073 10.769 ( 5.170 -2.099 0.836) 5.643 10.965 ( 0.963 -17.100 -18.080) 24.904 12.395 ( -2.512 -21.343 10.315) 23.837 15.430 ( -4.722 1.333 -2.079) 5.329 ======================= Grid point 92 (64/489) ======================= q-point: ( 0.41 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 2.074 5.421 6.374) 8.620 2.615 ( 9.659 6.498 0.812) 11.669 3.397 ( 10.972 7.409 -4.189) 13.886 3.525 ( 2.721 1.241 -10.086) 10.520 4.224 ( -1.304 5.701 5.165) 7.803 5.420 ( 0.840 18.572 2.167) 18.717 8.992 ( -5.746 9.161 -2.456) 11.090 9.360 ( 9.097 17.926 -0.621) 20.111 10.762 ( -0.177 -15.772 -12.712) 20.257 10.913 ( 11.566 0.785 1.464) 11.685 12.160 ( -3.742 -18.943 7.396) 20.677 15.307 ( -9.411 0.198 -2.542) 9.750 ======================= Grid point 93 (65/489) ======================= q-point: ( 0.47 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 3.241 3.450 5.209) 7.038 2.875 ( 11.546 7.078 0.573) 13.556 3.369 ( -1.882 -4.047 -10.775) 11.663 3.849 ( 15.902 12.681 -1.720) 20.412 4.253 ( -1.549 2.486 5.355) 6.103 5.568 ( -1.861 10.997 1.346) 11.235 9.013 ( -1.987 10.880 -1.283) 11.134 9.678 ( 7.433 14.369 0.023) 16.177 10.558 ( -2.484 -13.723 -9.141) 16.675 11.188 ( 16.334 3.930 0.830) 16.821 11.948 ( -3.247 -13.992 5.560) 15.402 15.099 ( -12.232 -1.813 -3.083) 12.744 ======================= Grid point 94 (66/489) ======================= q-point: ( 0.53 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( 4.276 1.785 3.521) 5.820 3.130 ( 6.638 6.387 0.231) 9.215 3.285 ( 1.994 -1.890 -7.768) 8.239 4.109 ( -2.054 5.267 0.295) 5.661 4.373 ( 13.257 7.793 2.758) 15.623 5.580 ( -4.958 2.664 0.762) 5.680 9.142 ( 3.272 12.041 1.493) 12.567 9.872 ( 1.718 7.539 -0.638) 7.758 10.350 ( -3.081 -12.393 -6.592) 14.371 11.523 ( 11.416 9.695 -0.818) 14.999 11.830 ( 2.469 -8.344 5.272) 10.174 14.846 ( -11.374 -4.410 -2.981) 12.558 ======================= Grid point 95 (67/489) ======================= q-point: ( 0.59 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 3.999 0.088 1.198) 4.176 3.133 ( -2.875 0.029 -1.915) 3.455 3.456 ( 9.580 7.632 -2.815) 12.568 4.023 ( -6.712 -3.254 2.408) 7.838 4.730 ( 10.504 15.346 0.155) 18.598 5.464 ( -5.425 -6.822 0.575) 8.735 9.345 ( 4.605 9.812 3.017) 11.251 9.886 ( -4.633 3.122 -0.965) 5.669 10.197 ( 2.195 -11.300 -4.847) 12.490 11.656 ( -5.329 10.613 1.752) 12.005 11.955 ( 11.044 -0.768 1.002) 11.116 14.631 ( -5.202 -6.069 -1.760) 8.185 ======================= Grid point 96 (68/489) ======================= q-point: (-0.35 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( -1.192 -1.048 -0.839) 1.796 3.125 ( 2.307 1.061 0.466) 2.582 3.657 ( 1.147 11.754 -3.580) 12.340 3.867 ( -2.292 -10.128 3.459) 10.945 4.947 ( -9.738 17.559 -0.548) 20.086 5.334 ( 6.907 -13.549 0.666) 15.222 9.406 ( -5.981 0.839 0.545) 6.064 9.894 ( 1.327 6.725 2.500) 7.297 10.168 ( 7.594 -8.431 -4.050) 12.048 11.667 ( -5.282 9.494 2.902) 11.245 12.033 ( -2.528 -0.804 -2.041) 3.347 14.567 ( 4.595 -4.237 -0.143) 6.252 ======================= Grid point 97 (69/489) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -5.408 0.000 0.000) 5.408 3.199 ( 3.078 -0.000 -0.000) 3.078 3.599 ( -8.249 0.000 0.000) 8.249 3.893 ( 6.395 -0.000 -0.000) 6.395 4.730 ( -20.050 0.000 0.000) 20.050 5.445 ( 8.458 -0.000 -0.000) 8.458 9.244 ( -10.560 0.000 0.000) 10.560 9.950 ( -1.622 0.000 0.000) 1.622 10.315 ( 14.547 -0.000 -0.000) 14.547 11.674 ( -1.474 0.000 0.000) 1.474 11.857 ( -13.849 0.000 0.000) 13.849 14.688 ( 10.572 -0.000 -0.000) 10.572 ======================= Grid point 108 (70/489) ======================= q-point: ( 0.35 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -0.000 5.100 0.212) 5.104 2.465 ( -0.000 5.636 6.645) 8.713 3.104 ( 0.000 10.091 -0.675) 10.113 3.532 ( 0.000 -3.560 -14.339) 14.774 4.252 ( -0.000 8.079 4.907) 9.452 5.404 ( -0.000 22.097 2.688) 22.259 9.106 ( 0.000 15.865 -1.897) 15.978 9.180 ( 0.000 7.877 -5.815) 9.791 10.708 ( -0.000 -1.042 1.552) 1.869 10.746 ( 0.000 -15.206 -10.228) 18.325 12.227 ( -0.000 -21.135 6.734) 22.181 15.488 ( 0.000 2.034 -1.015) 2.273 ======================= Grid point 109 (71/489) ======================= q-point: ( 0.41 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 6.261 4.359 -0.078) 7.629 2.537 ( 0.774 3.878 5.605) 6.860 3.281 ( 9.067 7.959 -1.307) 12.135 3.447 ( 0.569 -4.136 -11.895) 12.607 4.331 ( -1.499 6.679 4.398) 8.136 5.610 ( -0.442 17.301 2.077) 17.430 9.158 ( -4.595 7.749 -6.838) 11.310 9.350 ( 8.652 12.539 -4.045) 15.762 10.597 ( 0.022 -10.999 -3.745) 11.619 10.761 ( 5.808 -0.038 2.369) 6.273 12.026 ( -0.976 -19.062 3.836) 19.469 15.453 ( -6.062 1.692 -0.934) 6.362 ======================= Grid point 110 (72/489) ======================= q-point: ( 0.47 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 1.701 2.500 4.240) 5.208 2.723 ( 11.345 3.940 0.097) 12.010 3.327 ( -1.014 -3.453 -9.194) 9.873 3.634 ( 17.598 6.919 -1.020) 18.937 4.352 ( -3.622 3.926 3.608) 6.446 5.734 ( -2.820 11.482 1.390) 11.905 9.143 ( -2.632 7.647 -5.688) 9.888 9.638 ( 11.064 9.637 -2.738) 14.925 10.485 ( -2.913 -5.833 -1.303) 6.649 10.918 ( 13.052 -2.343 2.044) 13.417 11.858 ( -0.159 -13.010 2.186) 13.194 15.304 ( -11.787 0.524 -1.372) 11.878 ======================= Grid point 111 (73/489) ======================= q-point: ( 0.53 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 2.708 1.233 2.668) 3.996 2.986 ( 13.847 3.667 0.277) 14.327 3.248 ( -1.677 -2.526 -6.005) 6.727 4.044 ( 20.095 7.445 -1.419) 21.477 4.308 ( -4.593 0.336 3.328) 5.682 5.741 ( -6.840 5.517 0.751) 8.819 9.207 ( 2.032 8.446 -1.707) 8.854 9.853 ( 6.352 2.932 -2.075) 7.297 10.349 ( -7.581 -2.967 -1.060) 8.210 11.205 ( 22.570 -2.704 0.577) 22.739 11.784 ( 0.708 -4.200 1.987) 4.700 15.056 ( -15.349 -1.001 -1.632) 15.468 ======================= Grid point 112 (74/489) ======================= q-point: ( 0.59 0.35 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 3.521 0.294 1.013) 3.676 3.171 ( -2.169 -0.357 -1.046) 2.434 3.279 ( 14.195 2.153 -1.511) 14.437 4.164 ( -8.758 0.800 0.607) 8.816 4.511 ( 22.297 3.836 0.470) 22.630 5.611 ( -11.518 0.464 0.295) 11.531 9.357 ( 5.380 6.834 1.231) 8.784 9.923 ( 2.605 -0.874 -1.925) 3.355 10.158 ( -9.425 -3.532 -1.073) 10.122 11.615 ( 23.564 0.412 -0.796) 23.581 11.787 ( 0.003 0.726 2.262) 2.375 14.767 ( -14.462 -1.807 -1.122) 14.618 ======================= Grid point 113 (75/489) ======================= q-point: (-0.35 -0.65 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 2.898 -0.000 -0.000) 2.898 3.126 ( -1.691 0.000 0.000) 1.691 3.538 ( 13.353 -0.000 -0.000) 13.353 3.988 ( -11.124 0.000 0.000) 11.124 4.919 ( 20.551 -0.000 -0.000) 20.551 5.365 ( -15.858 0.000 0.000) 15.858 9.471 ( 1.268 -0.000 -0.000) 1.268 9.981 ( 5.243 -0.000 -0.000) 5.243 9.982 ( -6.061 0.000 0.000) 6.061 11.778 ( -2.412 0.000 0.000) 2.412 11.950 ( 12.470 -0.000 -0.000) 12.470 14.560 ( -6.582 0.000 0.000) 6.582 ======================= Grid point 127 (76/489) ======================= q-point: ( 0.41 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 0.000 2.929 -0.216) 2.937 2.579 ( -0.000 2.621 4.176) 4.931 3.267 ( 0.000 6.305 -0.370) 6.316 3.360 ( 0.000 -4.778 -10.456) 11.496 4.420 ( -0.000 5.561 3.340) 6.486 5.778 ( -0.000 13.622 1.632) 13.719 9.242 ( 0.000 3.339 -12.716) 13.147 9.337 ( 0.000 8.604 -2.761) 9.036 10.522 ( -0.000 -4.771 4.201) 6.357 10.733 ( -0.000 1.781 2.354) 2.952 11.849 ( -0.000 -17.936 1.076) 17.969 15.526 ( 0.000 1.933 -0.253) 1.950 ======================= Grid point 128 (77/489) ======================= q-point: ( 0.47 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 6.933 2.080 -0.087) 7.239 2.616 ( 0.698 1.547 2.795) 3.270 3.282 ( -0.428 -2.877 -6.901) 7.489 3.424 ( 11.207 3.789 -0.538) 11.843 4.455 ( -2.359 3.466 2.253) 4.759 5.883 ( -1.662 8.814 1.059) 9.031 9.207 ( -1.344 2.525 -9.137) 9.574 9.499 ( 10.120 4.759 -2.981) 11.574 10.515 ( -0.729 1.476 5.514) 5.755 10.766 ( 1.938 -1.642 1.490) 2.944 11.708 ( 2.319 -12.425 -0.173) 12.641 15.481 ( -7.048 1.248 -0.298) 7.164 ======================= Grid point 129 (78/489) ======================= q-point: ( 0.53 0.41 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 1.509 0.630 1.439) 2.178 2.776 ( 12.251 1.315 -0.033) 12.321 3.235 ( -0.719 -1.454 -3.331) 3.705 3.726 ( 19.325 2.417 -0.297) 19.478 4.420 ( -4.986 1.289 1.219) 5.292 5.895 ( -4.680 3.886 0.487) 6.103 9.218 ( 1.936 2.691 -3.629) 4.915 9.716 ( 10.458 1.082 -1.373) 10.603 10.512 ( -8.032 5.110 2.554) 9.857 10.824 ( 13.671 -6.376 0.159) 15.086 11.695 ( 4.873 -3.832 0.174) 6.202 15.307 ( -13.268 0.280 -0.432) 13.278 ======================= Grid point 130 (79/489) ======================= q-point: (-0.41 -0.59 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 2.469 -0.000 -0.000) 2.469 3.024 ( 14.908 -0.000 -0.000) 14.908 3.203 ( -1.613 0.000 0.000) 1.613 4.118 ( 23.430 -0.000 -0.000) 23.430 4.317 ( -7.493 0.000 0.000) 7.493 5.798 ( -8.641 0.000 0.000) 8.641 9.295 ( 5.138 -0.000 -0.000) 5.138 9.848 ( 4.875 -0.000 -0.000) 4.875 10.347 ( -12.066 0.000 0.000) 12.066 11.158 ( 25.674 -0.000 -0.000) 25.674 11.760 ( 3.614 -0.000 -0.000) 3.614 15.040 ( -16.640 0.000 0.000) 16.640 ======================= Grid point 146 (80/489) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 0.000 0.962 -0.130) 0.971 2.628 ( -0.000 0.693 1.414) 1.575 3.244 ( 0.000 -1.957 -3.783) 4.259 3.351 ( 0.000 2.133 -0.121) 2.137 4.508 ( -0.000 1.845 1.097) 2.147 5.968 ( -0.000 4.583 0.538) 4.614 9.199 ( 0.000 -0.175 -6.466) 6.468 9.432 ( 0.000 2.493 -1.282) 2.803 10.545 ( -0.000 1.509 4.559) 4.802 10.780 ( -0.000 1.238 1.103) 1.658 11.568 ( 0.000 -8.271 -0.957) 8.326 15.555 ( 0.000 0.810 -0.014) 0.810 ======================= Grid point 147 (81/489) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 7.156 -0.000 -0.000) 7.156 2.639 ( 0.676 -0.000 -0.000) 0.676 3.228 ( -0.092 0.000 0.000) 0.092 3.463 ( 11.331 -0.000 -0.000) 11.331 4.496 ( -2.636 0.000 0.000) 2.636 5.975 ( -2.051 0.000 0.000) 2.051 9.194 ( 0.937 -0.000 -0.000) 0.937 9.533 ( 9.491 -0.000 -0.000) 9.491 10.605 ( 5.485 -0.000 -0.000) 5.485 10.717 ( -7.538 0.000 0.000) 7.538 11.574 ( 5.186 -0.000 -0.000) 5.186 15.493 ( -7.413 0.000 0.000) 7.413 ======================= Grid point 313 (82/489) ======================= q-point: ( 0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.207 ( -0.000 0.000 22.511) 22.511 0.207 ( -0.000 0.000 22.511) 22.511 0.443 ( -0.000 0.000 48.393) 48.393 2.141 ( 0.000 -0.000 -1.329) 1.329 2.141 ( 0.000 -0.000 -1.329) 1.329 5.326 ( 0.000 -0.000 -4.588) 4.588 7.332 ( -0.000 0.000 0.995) 0.995 7.332 ( -0.000 0.000 0.995) 0.995 11.283 ( 0.000 -0.000 -0.555) 0.555 11.283 ( 0.000 -0.000 -0.555) 0.555 14.767 ( -0.000 0.000 0.333) 0.333 14.892 ( 0.000 -0.000 -0.113) 0.113 ======================= Grid point 314 (83/489) ======================= q-point: ( 0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 22.160 12.794 6.680) 26.445 0.633 ( 13.244 7.646 25.127) 29.415 1.159 ( 39.994 23.090 16.617) 49.080 2.168 ( 2.806 1.620 -1.808) 3.711 2.299 ( 12.421 7.171 -1.819) 14.457 4.588 ( -8.261 -4.770 8.888) 13.038 7.396 ( 5.235 3.022 1.261) 6.175 9.643 ( 25.496 14.720 -52.221) 59.948 11.230 ( 8.614 4.974 -24.133) 26.103 11.252 ( -2.537 -1.465 -0.587) 2.988 14.496 ( -19.160 -11.062 8.805) 23.812 15.132 ( 12.107 6.990 -8.241) 16.228 ======================= Grid point 315 (84/489) ======================= q-point: ( 0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 15.265 8.813 16.496) 24.142 1.136 ( 21.789 12.580 3.233) 25.366 2.111 ( 36.520 21.085 10.777) 43.525 2.259 ( 5.513 3.183 -2.159) 6.722 2.695 ( 22.200 12.817 -1.899) 25.705 4.482 ( -3.531 -2.038 -1.135) 4.232 7.581 ( 10.226 5.904 1.201) 11.869 9.524 ( -16.250 -9.382 -1.170) 18.801 11.167 ( -4.483 -2.588 -0.532) 5.203 11.496 ( 17.843 10.302 -35.278) 40.854 14.047 ( -21.998 -12.700 14.104) 29.054 15.306 ( 5.113 2.952 -8.037) 9.973 ======================= Grid point 316 (85/489) ======================= q-point: ( 0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 16.100 9.295 10.266) 21.237 1.616 ( 18.399 10.623 2.177) 21.357 2.411 ( 8.162 4.712 -2.267) 9.693 2.839 ( 23.605 13.628 6.562) 28.036 3.336 ( 32.253 18.621 -1.425) 37.269 4.397 ( -3.100 -1.790 -3.339) 4.895 7.874 ( 14.577 8.416 0.707) 16.847 9.115 ( -16.959 -9.791 0.623) 19.592 11.049 ( -5.381 -3.106 -0.303) 6.220 11.745 ( 11.126 6.424 -29.369) 32.056 13.573 ( -22.959 -13.256 19.610) 32.976 15.333 ( -0.037 -0.021 -9.194) 9.194 ======================= Grid point 317 (86/489) ======================= q-point: ( 0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 15.745 9.090 6.937) 19.459 1.991 ( 13.298 7.678 1.426) 15.421 2.623 ( 10.503 6.064 -1.919) 12.279 3.307 ( 16.337 9.432 2.065) 18.977 4.027 ( 21.607 12.475 -7.210) 25.971 4.371 ( 6.199 3.579 3.405) 7.927 8.251 ( 17.495 10.101 -0.175) 20.202 8.794 ( -9.529 -5.502 -3.600) 11.577 10.924 ( -5.181 -2.991 0.179) 5.985 11.809 ( 1.277 0.737 -25.009) 25.053 13.107 ( -22.687 -13.099 23.354) 35.096 15.274 ( -1.979 -1.142 -9.622) 9.889 ======================= Grid point 318 (87/489) ======================= q-point: ( 0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 14.140 8.164 5.807) 17.330 2.247 ( 8.744 5.048 0.630) 10.116 2.872 ( 10.863 6.272 -1.237) 12.605 3.607 ( 9.207 5.316 -5.175) 11.824 4.134 ( -0.669 -0.386 -3.157) 3.250 4.848 ( 23.838 13.763 4.286) 27.857 8.667 ( 18.106 10.454 -1.278) 20.946 8.672 ( 0.725 0.419 -7.215) 7.264 10.816 ( -4.199 -2.424 0.929) 4.937 11.655 ( -8.395 -4.847 -19.563) 21.833 12.658 ( -21.851 -12.616 20.933) 32.785 15.211 ( -0.732 -0.423 -7.800) 7.846 ======================= Grid point 319 (88/489) ======================= q-point: ( 0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 5.694 3.288 0.093) 6.576 2.523 ( 11.882 6.860 5.632) 14.832 3.102 ( 8.826 5.096 -0.691) 10.215 3.666 ( -1.487 -0.859 -13.039) 13.152 4.165 ( 3.419 1.974 5.090) 6.442 5.352 ( 18.210 10.514 2.487) 21.174 8.784 ( 10.769 6.217 -9.018) 15.360 9.063 ( 15.960 9.215 -2.307) 18.573 10.737 ( -2.972 -1.716 1.797) 3.874 11.321 ( -16.109 -9.301 -10.162) 21.197 12.224 ( -19.260 -11.120 11.868) 25.208 15.200 ( 1.363 0.787 -4.398) 4.671 ======================= Grid point 320 (89/489) ======================= q-point: ( 0.47 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 3.336 1.926 -0.157) 3.856 2.790 ( 9.655 5.574 5.162) 12.286 3.269 ( 5.595 3.231 -0.361) 6.471 3.522 ( -6.326 -3.653 -11.843) 13.915 4.277 ( 3.971 2.293 4.347) 6.319 5.701 ( 11.241 6.490 1.593) 13.078 9.103 ( 18.686 10.788 -9.415) 23.541 9.376 ( 11.282 6.514 -2.766) 13.318 10.686 ( -1.982 -1.144 2.332) 3.267 10.855 ( -22.310 -12.881 -0.168) 25.762 11.871 ( -12.353 -7.132 2.785) 14.534 15.236 ( 2.074 1.197 -1.159) 2.660 ======================= Grid point 321 (90/489) ======================= q-point: ( 0.53 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 1.137 0.656 -0.232) 1.333 2.976 ( 3.726 2.151 1.463) 4.544 3.356 ( 1.948 1.125 -0.147) 2.255 3.367 ( -2.331 -1.346 -6.181) 6.742 4.350 ( 1.060 0.612 2.317) 2.620 5.879 ( 3.653 2.109 0.996) 4.334 9.557 ( 4.722 2.726 -2.067) 5.831 9.572 ( 23.355 13.484 -9.499) 28.592 10.312 ( -24.051 -13.886 6.086) 28.431 10.655 ( -1.255 -0.725 1.889) 2.381 11.686 ( -3.779 -2.182 -0.640) 4.411 15.276 ( 1.207 0.697 1.270) 1.886 ======================= Grid point 322 (91/489) ======================= q-point: (-0.41 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( -1.059 -0.611 -0.205) 1.240 2.907 ( -7.173 -4.141 -5.586) 9.990 3.358 ( -1.786 -1.031 0.029) 2.062 3.454 ( 8.441 4.873 2.688) 10.110 4.333 ( -2.966 -1.712 0.639) 3.484 5.875 ( -4.259 -2.459 0.516) 4.945 9.575 ( -3.018 -1.742 -0.271) 3.495 9.723 ( -20.058 -11.581 6.064) 23.942 10.194 ( 24.174 13.957 -6.084) 28.568 10.641 ( -0.189 -0.109 0.415) 0.469 11.685 ( 3.546 2.047 -0.730) 4.160 15.295 ( -0.133 -0.077 3.231) 3.235 ======================= Grid point 323 (92/489) ======================= q-point: (-0.35 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -3.307 -1.909 -0.107) 3.820 2.690 ( -9.544 -5.510 -5.615) 12.368 3.274 ( -5.392 -3.113 0.209) 6.230 3.688 ( 9.760 5.635 5.371) 12.484 4.218 ( -6.644 -3.836 -1.393) 7.797 5.686 ( -11.957 -6.904 0.053) 13.807 9.284 ( -18.112 -10.457 9.906) 23.141 9.416 ( -10.624 -6.134 1.381) 12.345 10.654 ( 1.480 0.854 -0.981) 1.970 10.794 ( 27.545 15.903 -7.065) 32.582 11.826 ( 8.368 4.831 -1.623) 9.797 15.297 ( -0.631 -0.364 5.139) 5.190 ======================= Grid point 324 (93/489) ======================= q-point: (-0.29 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -5.769 -3.331 0.073) 6.662 2.434 ( -11.310 -6.530 -3.944) 13.642 3.112 ( -8.533 -4.927 0.410) 9.862 3.884 ( 0.601 0.347 10.698) 10.720 4.054 ( -2.134 -1.232 -7.252) 7.660 5.322 ( -19.260 -11.120 -0.527) 22.246 8.966 ( -11.573 -6.681 10.388) 16.926 9.104 ( -16.246 -9.380 1.954) 18.861 10.705 ( 3.240 1.870 -1.462) 4.016 11.410 ( 26.622 15.370 -3.111) 30.897 12.032 ( 9.680 5.588 -6.144) 12.754 15.309 ( 0.309 0.179 6.817) 6.826 ======================= Grid point 325 (94/489) ======================= q-point: (-0.24 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -13.836 -7.988 -1.580) 16.055 2.246 ( -8.951 -5.168 0.430) 10.345 2.889 ( -10.470 -6.045 0.580) 12.103 3.672 ( -14.685 -8.478 2.219) 17.102 4.175 ( 7.317 4.224 0.327) 8.455 4.790 ( -26.202 -15.128 -1.382) 30.287 8.696 ( -18.829 -10.871 1.689) 21.808 8.822 ( -3.135 -1.810 8.634) 9.362 10.794 ( 4.728 2.730 -1.301) 5.613 11.987 ( 19.157 11.060 13.983) 26.169 12.231 ( 13.181 7.610 -22.655) 27.292 15.355 ( 1.757 1.015 7.311) 7.588 ======================= Grid point 326 (95/489) ======================= q-point: (-0.18 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -16.594 -9.581 0.993) 19.187 1.989 ( -13.537 -7.816 1.188) 15.677 2.646 ( -10.172 -5.873 0.538) 11.758 3.281 ( -19.194 -11.082 -0.509) 22.170 4.103 ( -31.876 -18.403 -0.093) 36.807 4.327 ( 5.237 3.024 -0.378) 6.059 8.263 ( -18.277 -10.552 1.122) 21.134 8.877 ( 6.026 3.479 5.224) 8.701 10.913 ( 5.674 3.276 -0.964) 6.622 12.184 ( -1.282 -0.740 9.464) 9.579 12.694 ( 27.404 15.822 -15.435) 35.207 15.421 ( 1.705 0.984 5.805) 6.130 ======================= Grid point 327 (96/489) ======================= q-point: (-0.12 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -18.742 -10.821 3.671) 21.951 1.620 ( -18.672 -10.780 2.489) 21.703 2.434 ( -8.030 -4.636 0.197) 9.275 2.758 ( -26.472 -15.283 -1.814) 30.621 3.340 ( -31.821 -18.372 -0.929) 36.756 4.427 ( 3.328 1.921 -0.011) 3.843 7.873 ( -15.187 -8.768 0.643) 17.548 9.124 ( 13.979 8.071 1.543) 16.215 11.045 ( 5.738 3.313 -0.690) 6.661 12.095 ( -7.679 -4.434 3.325) 9.470 13.296 ( 26.704 15.417 -5.829) 31.381 15.448 ( -0.943 -0.544 2.652) 2.867 ======================= Grid point 328 (97/489) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -19.623 -11.329 8.135) 24.074 1.148 ( -22.445 -12.959 4.401) 26.288 1.995 ( -38.314 -22.121 -1.365) 44.262 2.277 ( -5.499 -3.175 -0.277) 6.356 2.705 ( -22.021 -12.714 -0.816) 25.440 4.486 ( 1.952 1.127 -0.209) 2.264 7.574 ( -10.552 -6.092 0.473) 12.194 9.513 ( 18.795 10.851 -2.417) 21.837 11.167 ( 4.708 2.718 -0.546) 5.464 11.851 ( -13.368 -7.718 -3.178) 15.759 13.886 ( 24.642 14.227 0.306) 28.456 15.377 ( -5.583 -3.224 -1.259) 6.569 ======================= Grid point 331 (98/489) ======================= q-point: ( 0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -0.000 24.887 12.860) 28.013 0.753 ( -0.000 18.877 23.200) 29.909 1.139 ( -0.000 40.852 19.401) 45.225 2.164 ( 0.000 3.330 -2.157) 3.968 2.287 ( 0.000 14.165 -2.512) 14.386 4.612 ( -0.000 -12.604 8.511) 15.208 7.400 ( -0.000 6.116 1.534) 6.305 9.422 ( 0.000 41.669 -55.347) 69.279 11.246 ( 0.000 -3.154 -1.005) 3.310 11.256 ( 0.000 11.242 -19.331) 22.362 14.501 ( -0.000 -23.505 8.191) 24.892 15.099 ( 0.000 13.998 -8.128) 16.186 ======================= Grid point 332 (99/489) ======================= q-point: ( 0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 5.201 16.886 20.393) 26.982 1.098 ( 8.356 23.311 9.477) 26.515 1.866 ( 25.180 35.069 12.336) 44.900 2.226 ( 2.923 5.365 -2.509) 6.604 2.550 ( 11.403 18.827 -2.629) 22.168 4.504 ( -2.717 -4.975 -0.292) 5.676 7.527 ( 5.066 9.089 1.706) 10.545 9.553 ( -0.439 -7.622 -9.742) 12.377 11.161 ( -2.264 -3.026 -4.811) 6.118 11.374 ( 4.095 19.308 -30.228) 36.101 14.188 ( -10.194 -23.537 12.082) 28.353 15.247 ( 4.255 7.999 -8.542) 12.452 ======================= Grid point 333 (100/489) ======================= q-point: ( 0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 9.641 14.096 15.934) 23.357 1.521 ( 11.594 20.112 4.673) 23.680 2.357 ( 5.296 8.116 -2.676) 10.054 2.629 ( 22.411 22.042 8.540) 32.573 3.056 ( 23.158 24.567 -2.386) 33.845 4.412 ( -2.552 -3.018 -3.998) 5.622 7.767 ( 9.693 11.823 1.565) 15.368 9.274 ( -13.384 -14.380 2.095) 19.756 11.074 ( -2.273 -4.685 -1.822) 5.516 11.569 ( 8.048 13.823 -32.191) 35.946 13.783 ( -14.532 -21.774 16.983) 31.205 15.317 ( 0.373 3.109 -9.192) 9.711 ======================= Grid point 334 (101/489) ======================= q-point: ( 0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 11.745 12.652 10.676) 20.298 1.906 ( 10.322 15.062 3.118) 18.524 2.557 ( 7.184 11.319 -2.380) 13.616 3.143 ( 15.917 12.947 3.631) 20.837 3.752 ( 25.643 22.236 -3.808) 34.154 4.348 ( 0.117 -0.201 -1.693) 1.709 8.104 ( 13.290 13.951 1.039) 19.296 8.913 ( -12.699 -9.292 -0.633) 15.748 10.978 ( -3.765 -2.946 -0.510) 4.808 11.685 ( 4.882 3.374 -27.616) 28.246 13.358 ( -16.722 -19.795 20.948) 33.321 15.280 ( -2.669 0.436 -9.769) 10.136 ======================= Grid point 335 (102/489) ======================= q-point: ( 0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 12.318 10.693 7.680) 18.029 2.195 ( 7.059 10.971 1.811) 13.171 2.811 ( 7.786 13.656 -1.631) 15.804 3.483 ( 10.663 7.248 -2.285) 13.094 4.104 ( 3.132 1.879 -7.400) 8.253 4.618 ( 20.591 15.829 5.445) 26.536 8.497 ( 14.294 13.529 0.147) 19.682 8.690 ( -4.328 -0.988 -4.575) 6.375 10.886 ( -4.692 -0.428 0.185) 4.715 11.627 ( -1.850 -4.739 -22.618) 23.183 12.929 ( -18.370 -17.636 20.882) 32.933 15.201 ( -2.176 -0.673 -8.626) 8.922 ======================= Grid point 336 (103/489) ======================= q-point: ( 0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 4.892 8.242 1.764) 9.745 2.410 ( 10.746 8.854 5.405) 14.936 3.072 ( 6.038 14.103 -0.966) 15.371 3.617 ( 2.309 0.494 -11.330) 11.574 4.139 ( 2.761 1.156 2.535) 3.923 5.148 ( 19.421 13.252 3.218) 23.731 8.657 ( 5.731 2.947 -6.372) 9.063 8.928 ( 13.540 15.634 -1.568) 20.742 10.808 ( -4.898 1.221 0.792) 5.110 11.403 ( -8.581 -9.185 -15.529) 19.979 12.488 ( -19.643 -14.590 15.119) 28.763 15.158 ( 0.937 -1.262 -5.465) 5.687 ======================= Grid point 337 (104/489) ======================= q-point: ( 0.47 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 1.620 7.602 0.264) 7.777 2.688 ( 10.113 6.018 5.435) 12.963 3.285 ( 2.617 13.310 -0.589) 13.578 3.537 ( -3.903 -3.436 -13.411) 14.384 4.235 ( 4.355 1.413 5.162) 6.899 5.557 ( 14.062 8.021 2.138) 16.329 8.869 ( 14.653 7.469 -7.332) 18.007 9.286 ( 10.509 13.959 -2.551) 17.658 10.741 ( -4.494 0.660 1.431) 4.763 11.060 ( -15.231 -10.942 -6.105) 19.723 12.072 ( -17.077 -8.617 6.461) 20.189 15.172 ( 3.654 -2.160 -1.864) 4.636 ======================= Grid point 338 (105/489) ======================= q-point: ( 0.53 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -0.808 6.639 -0.131) 6.690 2.908 ( 7.403 3.124 3.384) 8.719 3.381 ( -4.165 -2.696 -9.999) 11.162 3.423 ( -1.601 11.610 -0.489) 11.730 4.322 ( 2.973 -0.396 3.673) 4.742 5.808 ( 7.723 2.883 1.509) 8.380 9.251 ( 21.142 9.262 -7.120) 24.155 9.540 ( 5.196 10.230 -3.678) 12.049 10.594 ( -18.956 -9.092 4.535) 21.507 10.706 ( -5.411 -1.767 -0.332) 5.702 11.796 ( -9.985 -0.687 0.330) 10.014 15.216 ( 4.358 -3.321 0.971) 5.565 ======================= Grid point 339 (106/489) ======================= q-point: (-0.41 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -3.106 5.283 -0.326) 6.137 2.949 ( -3.493 -3.290 -4.073) 6.293 3.368 ( 6.019 3.217 -1.172) 6.925 3.470 ( -5.521 9.870 -0.127) 11.310 4.341 ( -0.188 -2.760 2.056) 3.447 5.889 ( 0.488 -1.808 1.050) 2.147 9.600 ( -0.508 1.932 -0.694) 2.114 9.704 ( 15.984 1.020 -7.630) 17.741 10.198 ( -15.429 3.645 5.771) 16.872 10.663 ( -0.634 0.382 0.706) 1.023 11.707 ( -2.742 4.381 -1.307) 5.331 15.254 ( 3.525 -4.185 3.046) 6.262 ======================= Grid point 340 (107/489) ======================= q-point: (-0.35 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -5.157 3.240 -0.471) 6.108 2.776 ( -8.293 -4.495 -5.594) 10.967 3.428 ( -9.295 7.453 0.042) 11.914 3.572 ( 10.615 4.957 2.207) 11.921 4.270 ( -4.135 -4.811 0.729) 6.386 5.795 ( -7.280 -5.709 0.668) 9.276 9.416 ( -11.028 -13.469 3.879) 17.834 9.645 ( -13.677 -0.295 3.167) 14.042 10.450 ( 20.669 14.527 -5.616) 25.880 10.695 ( 1.756 5.872 -0.605) 6.158 11.765 ( 3.694 5.590 -1.463) 6.858 15.275 ( 2.478 -4.121 4.733) 6.747 ======================= Grid point 341 (108/489) ======================= q-point: (-0.29 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -7.121 -1.377 -1.526) 7.412 2.563 ( -10.189 -1.854 -2.910) 10.758 3.298 ( -12.586 4.788 0.249) 13.468 3.818 ( 10.474 4.280 3.889) 11.965 4.108 ( -7.775 -5.957 -1.488) 9.907 5.527 ( -15.198 -8.687 0.284) 17.507 9.095 ( -11.187 -11.923 7.789) 18.110 9.363 ( -18.183 -2.443 2.684) 18.541 10.703 ( 1.352 5.847 -0.831) 6.058 11.074 ( 25.960 14.951 -7.286) 30.831 11.917 ( 7.756 4.461 -2.232) 9.222 15.295 ( 2.283 -2.853 6.040) 7.059 ======================= Grid point 342 (109/489) ======================= q-point: (-0.24 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -11.802 -5.781 -1.927) 13.282 2.388 ( -10.247 0.238 0.202) 10.252 3.093 ( -14.849 2.178 0.403) 15.014 3.843 ( -12.437 -7.042 3.662) 14.754 4.063 ( 9.528 3.476 -2.301) 10.400 5.093 ( -23.221 -10.926 -0.119) 25.663 8.855 ( -8.325 -8.317 6.440) 13.415 8.999 ( -18.633 -4.048 3.733) 19.429 10.778 ( 1.270 5.999 -1.103) 6.230 11.675 ( 28.569 13.153 -5.891) 31.999 12.081 ( 7.488 2.084 -3.743) 8.627 15.340 ( 2.861 -0.966 6.341) 7.023 ======================= Grid point 343 (110/489) ======================= q-point: (-0.18 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -15.541 -6.240 0.888) 16.771 2.181 ( -13.146 -1.798 0.902) 13.299 2.840 ( -15.172 0.253 0.328) 15.178 3.511 ( -17.455 -7.682 0.551) 19.079 4.242 ( 7.494 2.450 -1.301) 7.991 4.502 ( -30.832 -12.319 0.272) 33.203 8.517 ( -20.211 -7.455 1.465) 21.592 8.848 ( 0.573 -0.684 5.985) 6.051 10.866 ( 3.154 4.599 -1.110) 5.686 12.175 ( 3.528 -0.410 -5.337) 6.411 12.293 ( 29.433 11.625 -2.522) 31.746 15.407 ( 2.861 0.230 4.900) 5.679 ======================= Grid point 344 (111/489) ======================= q-point: (-0.12 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -18.866 -6.792 3.898) 20.426 1.890 ( -18.087 -3.137 2.010) 18.466 2.590 ( -12.955 -0.607 -0.093) 12.969 3.082 ( -23.317 -7.578 -0.074) 24.518 3.784 ( -35.868 -11.608 -1.508) 37.730 4.371 ( 4.969 1.311 -0.202) 5.143 8.103 ( -19.197 -5.872 0.986) 20.099 8.970 ( 10.231 2.631 3.049) 10.995 10.972 ( 5.021 2.655 -0.921) 5.754 12.153 ( -2.628 -2.230 -6.669) 7.507 12.916 ( 29.644 9.926 1.256) 31.287 15.456 ( 0.920 -0.030 1.810) 2.031 ======================= Grid point 345 (112/489) ======================= q-point: (-0.06 0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -20.828 -6.441 7.721) 23.128 1.502 ( -23.367 -3.360 3.206) 23.824 2.386 ( -9.462 -0.695 -0.681) 9.512 2.517 ( -34.682 -6.375 1.178) 35.283 3.073 ( -32.045 -6.799 -1.167) 32.779 4.448 ( 3.230 0.603 -1.047) 3.449 7.755 ( -15.377 -3.246 0.797) 15.736 9.258 ( 17.754 3.799 0.693) 18.169 11.084 ( 5.834 0.929 -0.788) 5.959 11.988 ( -10.189 -3.498 -11.531) 15.780 13.526 ( 28.930 7.254 5.484) 30.325 15.434 ( -3.099 -0.964 -2.018) 3.821 ======================= Grid point 349 (113/489) ======================= q-point: ( 0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -0.000 17.046 21.649) 27.554 1.280 ( -0.000 23.447 9.409) 25.264 2.077 ( -0.000 40.888 10.632) 42.248 2.247 ( 0.000 6.456 -3.004) 7.121 2.667 ( 0.000 25.282 -3.207) 25.484 4.469 ( 0.000 -5.274 -2.376) 5.785 7.596 ( -0.000 12.257 1.907) 12.405 9.447 ( 0.000 -9.184 -4.233) 10.112 11.149 ( 0.000 -5.590 -1.345) 5.750 11.441 ( 0.000 19.185 -33.710) 38.787 14.040 ( -0.000 -27.724 12.801) 30.537 15.275 ( 0.000 8.731 -8.487) 12.176 ======================= Grid point 350 (114/489) ======================= q-point: ( 0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 1.701 16.886 18.025) 24.757 1.601 ( 6.278 20.752 7.525) 22.950 2.351 ( 4.272 8.856 -3.124) 10.317 2.604 ( 12.059 29.361 8.032) 32.741 3.033 ( 10.676 31.367 -3.073) 33.276 4.398 ( -1.310 -3.786 -4.675) 6.157 7.782 ( 4.798 15.053 2.039) 15.930 9.291 ( -5.082 -14.323 3.198) 15.531 11.055 ( -2.317 -5.058 -2.638) 6.157 11.531 ( 2.413 13.302 -32.658) 35.346 13.754 ( -5.519 -27.043 15.792) 31.799 15.329 ( 0.056 5.345 -8.627) 10.149 ======================= Grid point 351 (115/489) ======================= q-point: ( 0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 5.453 15.085 13.810) 21.167 1.934 ( 7.331 17.078 5.199) 19.298 2.553 ( 7.178 12.945 -2.636) 15.035 3.060 ( 11.493 17.439 3.406) 21.161 3.611 ( 18.128 29.406 -3.395) 34.711 4.338 ( -0.282 -0.651 -3.273) 3.349 8.074 ( 8.953 17.363 2.130) 19.652 9.021 ( -10.675 -11.095 2.165) 15.548 10.979 ( -0.648 -3.548 -1.737) 4.004 11.572 ( 2.506 3.979 -29.205) 29.582 13.415 ( -9.141 -24.928 18.690) 32.470 15.315 ( -2.929 2.217 -8.972) 9.695 ======================= Grid point 352 (116/489) ======================= q-point: ( 0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 7.947 12.619 10.089) 18.006 2.218 ( 6.006 13.493 3.499) 15.178 2.833 ( 7.881 17.008 -1.789) 18.831 3.383 ( 9.187 9.647 -1.775) 13.439 4.035 ( 6.451 7.390 -8.331) 12.869 4.497 ( 13.472 16.063 4.752) 21.496 8.440 ( 10.945 17.783 2.057) 20.982 8.769 ( -8.015 -3.249 -1.764) 8.826 10.943 ( -1.314 -0.028 -0.580) 1.437 11.511 ( 0.536 -4.987 -24.653) 25.158 13.051 ( -11.835 -22.428 19.240) 31.831 15.230 ( -4.462 0.094 -8.635) 9.720 ======================= Grid point 353 (117/489) ======================= q-point: ( 0.41 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 8.834 9.265 8.024) 15.108 2.441 ( 4.014 12.329 1.884) 13.103 3.138 ( 6.199 18.946 -1.182) 19.969 3.540 ( 3.823 1.681 -9.724) 10.583 4.110 ( 2.666 1.913 0.092) 3.282 4.980 ( 17.382 16.317 3.437) 24.087 8.620 ( -0.070 2.535 -2.828) 3.798 8.887 ( 10.994 18.806 -0.062) 21.784 10.916 ( -3.893 3.366 -0.838) 5.214 11.350 ( -2.524 -9.802 -18.153) 20.784 12.667 ( -14.338 -19.083 15.904) 28.682 15.132 ( -2.491 -1.811 -6.705) 7.379 ======================= Grid point 354 (118/489) ======================= q-point: ( 0.47 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 5.825 6.944 5.289) 10.494 2.633 ( 4.335 11.318 2.063) 12.294 3.406 ( 2.818 18.317 -1.416) 18.586 3.511 ( -1.327 -2.142 -12.894) 13.138 4.195 ( 3.543 1.579 4.905) 6.254 5.400 ( 14.377 9.660 2.278) 17.470 8.721 ( 8.091 6.815 -4.189) 11.378 9.264 ( 9.950 17.778 -0.590) 20.381 10.851 ( -6.041 1.562 -3.338) 7.076 11.134 ( -7.249 -7.823 -7.875) 13.257 12.281 ( -15.064 -12.776 9.349) 21.853 15.078 ( 1.622 -4.111 -3.564) 5.677 ======================= Grid point 355 (119/489) ======================= q-point: ( 0.53 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -0.307 9.816 1.341) 9.912 2.826 ( 6.553 4.909 3.330) 8.839 3.385 ( -3.338 -3.053 -11.785) 12.623 3.611 ( -1.652 18.422 -0.530) 18.504 4.274 ( 2.930 -0.552 4.582) 5.467 5.685 ( 10.144 3.239 1.715) 10.786 9.002 ( 15.598 9.271 -4.211) 18.627 9.556 ( 5.358 12.779 -1.940) 13.992 10.728 ( -4.038 -4.289 -4.780) 7.586 10.881 ( -15.883 -1.372 2.442) 16.128 11.982 ( -11.411 -2.762 2.458) 11.995 15.080 ( 5.023 -6.395 -0.428) 8.143 ======================= Grid point 356 (120/489) ======================= q-point: ( 0.59 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( -4.233 9.364 -0.226) 10.279 2.935 ( 1.597 -1.174 -0.881) 2.169 3.315 ( 1.493 1.670 -5.514) 5.952 3.720 ( -6.439 17.079 -0.188) 18.254 4.305 ( 1.266 -3.221 3.068) 4.625 5.827 ( 4.827 -2.012 1.362) 5.404 9.389 ( 18.882 6.981 -4.522) 20.633 9.657 ( -2.350 2.396 -1.627) 3.730 10.587 ( -18.074 4.532 3.063) 18.884 10.652 ( -0.680 -0.379 0.246) 0.816 11.841 ( -6.831 4.594 -1.338) 8.340 15.112 ( 6.356 -7.759 2.044) 10.236 ======================= Grid point 357 (121/489) ======================= q-point: (-0.35 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -6.525 3.231 -2.095) 7.577 2.866 ( -6.229 0.928 -3.179) 7.055 3.443 ( 8.989 4.080 -0.504) 9.885 3.728 ( -11.056 14.952 0.275) 18.598 4.268 ( -1.401 -5.428 1.761) 5.876 5.820 ( -1.658 -5.650 1.059) 5.983 9.454 ( -6.909 -12.172 -0.817) 14.020 9.746 ( 4.811 4.656 1.232) 6.808 10.444 ( -3.805 13.067 -2.266) 13.797 10.716 ( 2.081 7.264 2.286) 7.895 11.807 ( -2.495 5.513 -2.679) 6.618 15.153 ( 6.151 -7.566 3.795) 10.463 ======================= Grid point 358 (122/489) ======================= q-point: (-0.29 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -7.497 -2.995 -3.247) 8.701 2.753 ( -10.034 5.337 -1.152) 11.423 3.614 ( -8.287 8.649 -1.036) 12.023 3.685 ( 4.467 6.784 1.592) 8.277 4.157 ( -4.846 -6.540 0.943) 8.194 5.662 ( -9.078 -7.522 0.764) 11.814 9.173 ( -9.812 -12.379 3.899) 16.270 9.654 ( -14.757 -0.929 2.417) 14.983 10.726 ( 13.420 15.421 -5.210) 21.097 10.852 ( 5.222 9.886 0.343) 11.186 11.848 ( 3.288 2.921 -2.692) 5.157 15.200 ( 5.611 -5.791 4.758) 9.362 ======================= Grid point 359 (123/489) ======================= q-point: (-0.24 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -9.312 -3.717 -1.864) 10.198 2.606 ( -12.020 3.862 -0.195) 12.627 3.436 ( -17.882 7.767 0.229) 19.497 3.904 ( 11.105 3.014 -0.867) 11.540 3.974 ( -8.952 -6.523 1.277) 11.150 5.357 ( -17.263 -7.935 0.507) 19.006 8.923 ( -7.647 -8.917 5.152) 12.827 9.323 ( -20.503 -2.855 2.098) 20.807 10.879 ( -3.517 10.915 0.037) 11.468 11.287 ( 26.442 10.548 -7.749) 29.504 11.956 ( 7.396 0.312 -0.840) 7.450 15.265 ( 5.382 -3.261 4.581) 7.784 ======================= Grid point 360 (124/489) ======================= q-point: (-0.18 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -12.670 -3.318 0.441) 13.105 2.411 ( -13.289 1.338 0.535) 13.367 3.169 ( -19.290 4.144 0.222) 19.732 3.719 ( -13.447 -5.434 -0.299) 14.507 4.109 ( 9.542 1.815 -0.869) 9.751 4.905 ( -25.853 -7.238 0.637) 26.855 8.747 ( -8.629 -5.163 3.216) 10.557 8.948 ( -16.305 -3.091 2.428) 16.772 10.909 ( -2.321 6.538 -0.605) 6.964 11.832 ( 27.140 8.040 -17.223) 33.134 12.100 ( 9.020 -0.402 10.379) 13.757 15.346 ( 4.996 -1.387 2.896) 5.939 ======================= Grid point 361 (125/489) ======================= q-point: (-0.12 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -16.900 -2.764 2.912) 17.371 2.171 ( -15.389 -0.350 1.346) 15.451 2.867 ( -17.993 1.251 -0.222) 18.037 3.395 ( -18.504 -3.324 0.045) 18.800 4.236 ( -4.449 -0.386 -8.099) 9.248 4.352 ( -22.004 -3.632 6.575) 23.251 8.419 ( -21.158 -2.953 1.172) 21.395 8.853 ( 4.065 -1.390 1.813) 4.663 10.940 ( 1.037 2.670 -0.679) 2.944 12.079 ( 6.092 0.147 -20.152) 21.053 12.509 ( 27.050 4.806 15.547) 31.567 15.415 ( 3.510 -1.007 -0.124) 3.653 ======================= Grid point 362 (126/489) ======================= q-point: (-0.06 0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -20.055 -1.237 5.498) 20.832 1.867 ( -19.539 -0.808 1.955) 19.653 2.586 ( -14.134 -0.127 -0.926) 14.165 3.010 ( -24.396 0.426 1.651) 24.456 3.657 ( -37.097 0.475 -1.377) 37.126 4.379 ( 4.521 -0.013 -1.147) 4.664 8.045 ( -19.431 -0.371 0.878) 19.455 8.998 ( 13.023 -1.313 0.520) 13.099 10.999 ( 4.115 0.443 -0.556) 4.176 12.043 ( -3.184 -0.579 -18.316) 18.599 13.089 ( 29.288 2.350 13.821) 32.471 15.435 ( 0.682 -1.430 -3.643) 3.973 ======================= Grid point 367 (127/489) ======================= q-point: ( 0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -0.000 15.595 17.385) 23.355 1.758 ( -0.000 18.606 6.940) 19.858 2.390 ( 0.000 9.849 -3.510) 10.456 2.825 ( -0.000 27.498 5.900) 28.123 3.279 ( 0.000 36.281 -2.950) 36.401 4.358 ( 0.000 -2.965 -5.155) 5.947 7.911 ( -0.000 17.654 1.877) 17.754 9.213 ( -0.000 -12.185 5.236) 13.263 11.013 ( 0.000 -6.781 -1.408) 6.926 11.518 ( 0.000 7.826 -34.113) 34.999 13.568 ( -0.000 -27.688 16.811) 32.392 15.360 ( 0.000 5.144 -7.990) 9.503 ======================= Grid point 368 (128/489) ======================= q-point: ( 0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.896 14.480 14.022) 20.176 2.003 ( 5.235 14.754 6.043) 16.781 2.548 ( 6.401 12.587 -2.929) 14.422 3.126 ( 4.279 20.338 2.061) 20.885 3.695 ( 7.207 31.654 -4.198) 32.735 4.331 ( 0.363 2.063 -2.604) 3.342 8.148 ( 4.794 19.640 1.922) 20.308 9.071 ( -5.703 -9.016 4.285) 11.497 10.935 ( -0.228 -5.327 -1.715) 5.601 11.473 ( 1.333 0.008 -30.797) 30.825 13.316 ( -3.587 -26.402 17.843) 32.067 15.364 ( -2.160 3.361 -7.695) 8.671 ======================= Grid point 369 (129/489) ======================= q-point: ( 0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 3.617 12.414 11.089) 17.034 2.254 ( 6.263 11.793 4.429) 14.068 2.837 ( 10.353 16.032 -1.797) 19.169 3.367 ( 4.192 12.082 -3.358) 13.222 4.005 ( 4.108 9.840 -7.221) 12.878 4.501 ( 8.010 19.723 3.954) 21.652 8.475 ( 8.174 20.372 2.424) 22.085 8.882 ( -8.436 -2.907 0.471) 8.935 10.916 ( 2.741 -1.776 -0.984) 3.411 11.368 ( 0.470 -7.082 -25.674) 26.637 13.023 ( -6.491 -24.786 17.376) 30.958 15.300 ( -5.211 1.376 -7.546) 9.273 ======================= Grid point 370 (130/489) ======================= q-point: ( 0.41 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 5.480 9.468 9.238) 14.318 2.487 ( 5.948 11.363 2.803) 13.129 3.191 ( 9.992 18.644 -1.236) 21.188 3.476 ( 2.013 2.788 -10.158) 10.724 4.094 ( 2.223 3.906 -0.282) 4.503 4.914 ( 11.854 20.144 3.209) 23.592 8.689 ( -3.989 4.379 -0.284) 5.931 8.914 ( 8.367 19.476 0.723) 21.209 10.970 ( 1.821 2.853 -1.432) 3.675 11.202 ( 0.127 -11.283 -19.308) 22.364 12.700 ( -8.669 -22.615 14.983) 28.479 15.176 ( -6.319 -0.765 -6.877) 9.371 ======================= Grid point 371 (131/489) ======================= q-point: ( 0.47 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 6.132 6.143 7.836) 11.694 2.706 ( 4.338 12.591 1.407) 13.392 3.446 ( -0.447 -1.637 -12.786) 12.898 3.533 ( 6.782 18.828 -1.547) 20.072 4.179 ( 2.469 3.084 4.418) 5.926 5.288 ( 10.947 12.221 2.024) 16.531 8.705 ( 1.248 7.573 -1.668) 7.854 9.288 ( 9.212 19.515 1.257) 21.617 10.903 ( -4.774 -7.552 -12.630) 15.470 11.139 ( 1.409 2.440 -2.360) 3.675 12.370 ( -9.498 -18.057 10.700) 23.038 15.041 ( -3.988 -3.637 -5.196) 7.492 ======================= Grid point 372 (132/489) ======================= q-point: ( 0.53 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 6.265 4.034 6.080) 9.617 2.882 ( 0.585 12.222 0.016) 12.236 3.360 ( -1.296 -2.854 -11.880) 12.286 3.802 ( 2.178 18.616 -0.791) 18.759 4.256 ( 1.442 2.070 4.828) 5.448 5.549 ( 9.179 3.807 1.481) 10.047 8.882 ( 8.650 10.582 -1.130) 13.714 9.595 ( 5.406 14.078 0.259) 15.083 10.690 ( -3.378 -10.687 -10.161) 15.128 11.151 ( -8.431 8.783 2.123) 12.358 12.106 ( -7.122 -8.515 4.858) 12.117 14.946 ( 0.822 -7.074 -2.666) 7.605 ======================= Grid point 373 (133/489) ======================= q-point: ( 0.59 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 5.230 1.530 2.920) 6.182 2.947 ( -4.552 8.456 -1.622) 9.740 3.309 ( -0.112 2.532 -7.540) 7.955 3.973 ( -1.576 14.443 0.427) 14.535 4.294 ( -1.397 2.746 3.025) 4.318 5.697 ( 7.005 -3.059 1.310) 7.755 9.183 ( 13.116 9.836 -1.020) 16.426 9.724 ( -1.708 4.460 -0.508) 4.803 10.549 ( 1.322 -8.309 -5.690) 10.157 11.038 ( -16.190 12.963 4.448) 21.212 11.983 ( -4.909 1.667 -0.448) 5.204 14.914 ( 5.592 -9.629 0.026) 11.135 ======================= Grid point 374 (134/489) ======================= q-point: (-0.35 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -5.181 -2.501 -4.184) 7.114 2.998 ( -2.144 8.796 1.624) 9.198 3.364 ( 3.644 5.205 -3.485) 7.246 4.042 ( -4.581 9.508 2.062) 10.753 4.273 ( -5.346 3.352 0.694) 6.348 5.742 ( 3.537 -7.090 1.182) 8.011 9.400 ( 1.892 -3.808 -2.326) 4.846 9.729 ( 2.569 6.256 2.700) 7.282 10.498 ( 1.889 -5.832 -4.962) 7.887 10.968 ( -11.382 20.768 5.645) 24.346 11.922 ( -5.436 3.810 -3.394) 7.456 14.943 ( 8.363 -9.824 2.104) 13.072 ======================= Grid point 375 (135/489) ======================= q-point: (-0.29 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -6.884 -2.689 -3.172) 8.043 2.993 ( -8.799 8.424 -0.051) 12.182 3.510 ( 8.759 3.305 -2.294) 9.639 4.019 ( -9.769 8.815 3.381) 13.586 4.177 ( -7.095 -0.497 -0.772) 7.154 5.685 ( -1.859 -7.872 0.952) 8.145 9.223 ( -8.537 -9.894 0.756) 13.090 9.833 ( -4.078 2.203 2.765) 5.397 10.556 ( 11.764 3.608 -6.005) 13.692 11.062 ( -6.071 20.830 5.141) 22.297 11.849 ( -2.984 -0.041 -4.335) 5.263 15.015 ( 8.979 -7.682 2.989) 12.189 ======================= Grid point 376 (136/489) ======================= q-point: (-0.24 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -7.927 -1.992 -1.289) 8.274 2.871 ( -12.709 5.456 -0.249) 13.833 3.693 ( 7.819 2.524 -3.966) 9.123 3.890 ( -15.578 9.419 2.237) 18.341 4.034 ( -4.925 -5.902 1.473) 7.827 5.521 ( -9.188 -6.236 0.694) 11.126 8.985 ( -8.277 -7.768 2.303) 11.583 9.639 ( -16.736 -1.598 1.653) 16.894 10.914 ( 22.136 7.224 -6.571) 24.194 11.137 ( -8.377 14.837 2.920) 17.287 11.832 ( 4.709 -2.666 -1.772) 5.694 15.114 ( 8.422 -4.645 2.430) 9.920 ======================= Grid point 377 (137/489) ======================= q-point: (-0.18 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -9.787 -1.021 0.761) 9.869 2.671 ( -14.192 2.023 0.281) 14.339 3.568 ( -20.494 4.117 -0.178) 20.904 3.839 ( -3.932 -2.467 -8.406) 9.603 3.972 ( 5.463 0.198 6.953) 8.845 5.239 ( -17.895 -3.513 0.698) 18.250 8.807 ( -5.658 -4.439 1.525) 7.352 9.284 ( -21.484 -1.743 1.063) 21.581 11.074 ( -8.770 6.236 0.171) 10.763 11.391 ( 25.817 4.916 -10.358) 28.248 11.952 ( 9.769 -0.745 5.920) 11.447 15.223 ( 7.348 -2.390 0.511) 7.744 ======================= Grid point 378 (138/489) ======================= q-point: (-0.12 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -13.273 0.108 2.625) 13.530 2.431 ( -14.454 -0.161 0.952) 14.486 3.217 ( -20.933 -0.246 -0.442) 20.940 3.649 ( -12.639 -0.198 -2.363) 12.859 4.124 ( 8.195 0.300 -1.094) 8.273 4.835 ( -26.369 -0.011 1.653) 26.421 8.689 ( -7.166 -1.589 0.122) 7.341 8.910 ( -16.688 -1.149 -0.143) 16.728 10.985 ( -4.239 0.271 -0.156) 4.251 11.796 ( 19.473 2.123 -21.818) 29.321 12.210 ( 16.881 0.834 19.913) 26.119 15.315 ( 5.692 -1.734 -2.362) 6.402 ======================= Grid point 379 (139/489) ======================= q-point: (-0.06 0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -17.219 1.811 4.139) 17.802 2.172 ( -15.546 -0.436 1.415) 15.616 2.859 ( -18.024 -1.529 -0.971) 18.115 3.395 ( -17.559 3.157 -0.044) 17.840 4.196 ( -6.683 1.749 -8.655) 11.074 4.389 ( -20.140 3.023 6.873) 21.494 8.414 ( -20.876 1.852 0.618) 20.967 8.812 ( 4.646 -2.366 -2.565) 5.811 10.948 ( 1.023 -1.841 0.077) 2.108 11.959 ( 6.432 1.122 -23.055) 23.961 12.664 ( 25.725 -1.070 22.210) 34.003 15.364 ( 3.439 -2.127 -5.501) 6.827 ======================= Grid point 385 (140/489) ======================= q-point: ( 0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.000 12.343 13.819) 18.528 2.098 ( -0.000 11.853 3.995) 12.508 2.605 ( 0.000 13.202 -2.744) 13.484 3.294 ( 0.000 17.915 -1.160) 17.953 3.903 ( 0.000 21.032 -6.554) 22.030 4.391 ( -0.000 13.868 1.555) 13.955 8.313 ( -0.000 20.790 1.089) 20.819 9.064 ( -0.000 -5.044 4.052) 6.470 10.871 ( 0.000 -6.303 -0.898) 6.367 11.338 ( 0.000 -5.567 -29.779) 30.295 13.136 ( -0.000 -25.768 17.098) 30.924 15.399 ( 0.000 3.433 -6.561) 7.405 ======================= Grid point 386 (141/489) ======================= q-point: ( 0.35 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 1.139 10.474 8.832) 13.748 2.272 ( 4.594 9.095 5.775) 11.712 2.810 ( 8.275 14.256 -1.784) 16.580 3.436 ( 0.358 10.651 -7.137) 12.826 4.033 ( 1.152 7.851 -4.353) 9.050 4.645 ( 3.557 26.097 3.970) 26.636 8.573 ( 5.054 20.968 0.982) 21.591 8.993 ( -5.438 -0.350 0.733) 5.499 10.832 ( 2.630 -3.965 -0.419) 4.776 11.187 ( 1.221 -10.400 -24.456) 26.603 12.903 ( -3.011 -24.975 15.284) 29.434 15.381 ( -3.698 2.584 -5.952) 7.469 ======================= Grid point 387 (142/489) ======================= q-point: ( 0.41 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 2.894 8.419 8.941) 12.617 2.474 ( 7.345 8.089 3.150) 11.371 3.147 ( 13.135 14.885 -1.345) 19.898 3.467 ( -0.843 2.844 -12.281) 12.634 4.116 ( 1.092 6.247 1.372) 6.488 4.997 ( 5.474 23.720 3.019) 24.530 8.823 ( -3.127 8.595 0.009) 9.146 8.982 ( 4.831 16.656 -0.774) 17.359 10.898 ( 6.938 0.235 -0.045) 6.942 11.016 ( 0.432 -13.061 -18.499) 22.649 12.626 ( -5.222 -23.804 12.699) 27.480 15.283 ( -7.447 1.079 -5.696) 9.438 ======================= Grid point 388 (143/489) ======================= q-point: ( 0.47 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 3.855 5.462 8.363) 10.706 2.710 ( 8.531 9.407 1.650) 12.806 3.395 ( -0.359 -1.916 -13.001) 13.147 3.547 ( 11.789 16.463 -1.695) 20.319 4.199 ( 1.010 4.451 4.245) 6.233 5.299 ( 4.779 16.112 1.871) 16.909 8.806 ( -3.500 8.490 -1.593) 9.321 9.332 ( 9.220 19.601 1.101) 21.689 10.805 ( -2.166 -13.356 -14.524) 19.850 11.087 ( 9.525 5.045 0.466) 10.789 12.333 ( -5.923 -21.041 9.854) 23.977 15.118 ( -9.086 -1.251 -5.279) 10.582 ======================= Grid point 389 (144/489) ======================= q-point: ( 0.53 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 4.721 3.068 6.654) 8.716 2.951 ( 6.107 10.817 0.724) 12.443 3.310 ( -0.864 -2.980 -11.509) 11.920 3.889 ( 7.253 15.693 -1.433) 17.347 4.274 ( 2.273 3.622 4.820) 6.444 5.490 ( 3.323 6.858 1.126) 7.703 8.898 ( 2.703 11.773 0.010) 12.079 9.647 ( 5.796 14.661 0.916) 15.792 10.586 ( -2.710 -13.082 -10.904) 17.245 11.304 ( 4.378 10.800 0.590) 11.669 12.087 ( -3.148 -14.899 6.703) 16.638 14.927 ( -7.125 -4.607 -4.192) 9.463 ======================= Grid point 390 (145/489) ======================= q-point: ( 0.59 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 4.971 0.941 3.715) 6.277 3.080 ( -2.450 6.088 -1.878) 6.826 3.299 ( 3.705 4.425 -6.491) 8.686 4.051 ( 0.324 3.884 1.234) 4.088 4.414 ( 2.117 13.327 1.957) 13.635 5.568 ( 3.273 -2.582 0.912) 4.267 9.121 ( 7.531 12.500 1.571) 14.678 9.801 ( -0.919 6.251 -0.018) 6.318 10.408 ( 0.508 -11.352 -7.456) 13.591 11.404 ( -7.667 13.667 2.684) 15.899 12.002 ( 2.308 -3.949 1.788) 4.911 14.773 ( -1.505 -8.156 -2.239) 8.591 ======================= Grid point 391 (146/489) ======================= q-point: ( 0.65 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.853 ( -0.265 -1.820 -1.684) 2.494 3.081 ( 0.126 4.097 0.871) 4.190 3.413 ( 0.326 10.480 -4.386) 11.365 4.046 ( 0.702 -5.586 3.346) 6.549 4.556 ( -6.701 19.312 -0.331) 20.444 5.577 ( 5.032 -9.487 1.011) 10.787 9.352 ( 4.004 5.864 0.945) 7.163 9.786 ( -2.289 3.585 1.373) 4.469 10.336 ( 4.716 -9.249 -5.700) 11.844 11.392 ( -10.964 17.246 4.945) 21.026 12.015 ( -1.868 1.702 -2.699) 3.698 14.714 ( 5.553 -9.550 -0.031) 11.047 ======================= Grid point 392 (147/489) ======================= q-point: (-0.29 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -5.319 -1.599 -2.282) 6.005 3.157 ( 0.589 4.782 1.424) 5.024 3.473 ( -1.661 7.906 -4.237) 9.123 4.015 ( 2.673 -7.744 3.876) 9.063 4.536 ( -15.800 15.825 -0.929) 22.382 5.572 ( 4.990 -9.561 0.916) 10.824 9.295 ( -8.232 -4.491 0.258) 9.381 9.889 ( 2.491 6.158 3.238) 7.390 10.353 ( 9.117 -4.483 -5.494) 11.550 11.429 ( -8.091 19.615 5.997) 22.050 11.917 ( -7.499 -2.175 -5.049) 9.298 14.770 ( 10.134 -7.488 1.067) 12.645 ======================= Grid point 393 (148/489) ======================= q-point: (-0.24 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( -6.902 -0.403 -0.396) 6.925 3.128 ( -9.697 3.877 0.089) 10.443 3.549 ( 6.549 2.432 -4.106) 8.103 4.003 ( 1.371 -4.750 3.602) 6.117 4.330 ( -20.374 7.507 -0.460) 21.717 5.549 ( -0.189 -4.758 0.579) 4.797 9.085 ( -9.793 -4.017 0.964) 10.628 9.862 ( -9.174 -0.425 1.134) 9.253 10.586 ( 18.754 2.730 -4.134) 19.397 11.496 ( -11.368 16.736 4.870) 20.810 11.736 ( -1.133 -7.971 -3.700) 8.860 14.903 ( 10.858 -3.964 0.413) 11.567 ======================= Grid point 394 (149/489) ======================= q-point: (-0.18 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -8.074 0.809 1.574) 8.265 2.933 ( -13.879 0.101 0.172) 13.881 3.694 ( 8.502 1.086 -6.745) 10.906 3.942 ( -10.887 -3.297 -1.511) 11.475 4.037 ( -12.031 2.008 6.200) 13.683 5.453 ( -8.602 -0.231 0.469) 8.618 8.900 ( -8.428 -1.187 -0.029) 8.511 9.619 ( -17.257 -0.814 0.335) 17.279 10.971 ( 23.090 2.275 -5.443) 23.831 11.311 ( -13.761 -2.084 -1.045) 13.957 11.808 ( 7.990 2.276 5.115) 9.756 15.054 ( 9.335 -1.361 -1.495) 9.552 ======================= Grid point 395 (150/489) ======================= q-point: (-0.12 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -9.985 2.051 3.188) 10.680 2.675 ( -14.242 -2.014 0.637) 14.398 3.562 ( -20.818 -4.364 -0.843) 21.287 3.776 ( -0.715 1.622 -10.274) 10.425 4.019 ( 2.318 0.479 7.203) 7.582 5.241 ( -17.604 3.269 0.964) 17.931 8.769 ( -6.152 1.048 -2.482) 6.716 9.272 ( -21.552 0.260 -0.198) 21.555 11.067 ( -7.800 -6.515 -0.853) 10.198 11.375 ( 23.366 0.423 -10.234) 25.513 12.023 ( 11.643 1.293 11.907) 16.704 15.180 ( 6.978 -0.504 -3.937) 8.028 ======================= Grid point 396 (151/489) ======================= q-point: (-0.06 0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -13.326 3.600 4.190) 14.425 2.415 ( -13.395 -1.743 0.898) 13.538 3.158 ( -19.316 -4.189 -0.962) 19.788 3.674 ( -10.317 4.090 -4.967) 12.158 4.115 ( 5.831 -0.517 -0.310) 5.862 4.923 ( -24.843 7.015 2.425) 25.928 8.683 ( -5.251 2.019 -3.697) 6.731 8.905 ( -19.505 1.324 -1.900) 19.643 10.919 ( -1.803 -5.922 0.324) 6.199 11.691 ( 16.965 -0.496 -18.340) 24.988 12.327 ( 18.466 -2.457 20.694) 27.843 15.257 ( 4.434 -0.964 -6.376) 7.826 ======================= Grid point 403 (152/489) ======================= q-point: ( 0.35 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -0.000 7.253 1.368) 7.381 2.357 ( -0.000 8.018 11.225) 13.795 2.865 ( 0.000 13.183 -1.437) 13.261 3.486 ( 0.000 4.565 -12.350) 13.166 4.098 ( -0.000 8.246 0.385) 8.255 4.904 ( -0.000 27.717 3.609) 27.951 8.734 ( 0.000 20.092 -0.558) 20.100 9.052 ( 0.000 2.596 -2.038) 3.300 10.763 ( -0.000 -3.993 0.361) 4.009 10.990 ( 0.000 -12.351 -19.234) 22.858 12.721 ( -0.000 -24.801 12.510) 27.777 15.429 ( 0.000 3.092 -4.688) 5.616 ======================= Grid point 404 (153/489) ======================= q-point: ( 0.41 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 4.814 6.517 1.151) 8.183 2.469 ( 1.514 5.580 9.615) 11.219 3.073 ( 9.223 12.159 -1.140) 15.303 3.456 ( -0.636 -0.267 -14.506) 14.522 4.190 ( -0.102 8.368 3.195) 8.958 5.194 ( 1.451 24.338 2.808) 24.543 8.951 ( 0.802 13.752 -1.725) 13.883 9.065 ( 0.893 10.285 -4.736) 11.358 10.778 ( 5.035 -1.765 0.680) 5.379 10.824 ( 0.771 -12.374 -12.246) 17.427 12.485 ( -2.374 -24.096 9.516) 26.015 15.402 ( -5.108 2.647 -4.127) 7.081 ======================= Grid point 405 (154/489) ======================= q-point: ( 0.47 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 2.373 4.363 7.375) 8.892 2.626 ( 9.337 5.658 1.930) 11.087 3.333 ( 3.242 1.298 -9.969) 10.562 3.458 ( 10.750 8.463 -4.530) 14.412 4.265 ( -1.094 5.967 3.864) 7.193 5.439 ( 0.603 18.253 1.874) 18.359 8.958 ( -4.637 8.166 -4.873) 10.580 9.351 ( 10.255 17.271 -1.310) 20.129 10.662 ( -1.151 -11.809 -9.034) 14.912 10.928 ( 11.150 1.167 1.857) 11.363 12.226 ( -3.403 -21.476 6.994) 22.841 15.277 ( -9.939 1.291 -4.043) 10.807 ======================= Grid point 406 (155/489) ======================= q-point: ( 0.53 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( 2.949 2.004 6.521) 7.432 2.881 ( 11.583 6.747 0.888) 13.434 3.272 ( -1.516 -2.266 -10.526) 10.874 3.833 ( 15.565 12.657 -1.625) 20.127 4.296 ( -1.033 2.281 4.062) 4.772 5.579 ( -2.071 10.793 1.048) 11.040 8.996 ( -0.276 10.923 -2.321) 11.170 9.675 ( 8.063 13.504 -0.654) 15.742 10.485 ( -3.481 -10.529 -6.628) 12.919 11.195 ( 15.600 3.896 0.696) 16.094 11.999 ( -2.657 -15.828 5.555) 16.984 15.067 ( -12.581 -0.937 -3.882) 13.199 ======================= Grid point 407 (156/489) ======================= q-point: ( 0.59 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 3.723 0.369 4.035) 5.502 3.132 ( 4.440 5.775 0.049) 7.285 3.218 ( 4.488 0.634 -6.606) 8.011 4.107 ( -0.035 6.240 -0.630) 6.272 4.398 ( 11.427 6.340 2.667) 13.338 5.586 ( -5.021 2.515 0.527) 5.640 9.154 ( 4.543 12.491 1.007) 13.329 9.864 ( 1.951 6.552 -1.052) 6.916 10.296 ( -3.822 -10.045 -5.015) 11.860 11.516 ( 11.599 8.751 -0.762) 14.550 11.877 ( 2.186 -8.698 4.932) 10.235 14.818 ( -11.261 -3.712 -3.072) 12.249 ======================= Grid point 408 (157/489) ======================= q-point: ( 0.65 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 2.971 -0.699 0.859) 3.170 3.117 ( -1.962 0.825 -1.507) 2.608 3.434 ( 8.913 8.510 -1.964) 12.479 4.042 ( -5.844 -3.549 1.616) 7.026 4.732 ( 10.047 15.040 0.193) 18.089 5.469 ( -5.249 -6.977 0.466) 8.743 9.370 ( 4.562 9.727 2.479) 11.026 9.880 ( -3.665 3.206 -0.253) 4.876 10.153 ( 1.583 -10.049 -4.615) 11.171 11.674 ( -3.482 9.984 2.166) 10.793 11.960 ( 8.841 -1.115 0.192) 8.913 14.616 ( -4.630 -5.557 -1.468) 7.381 ======================= Grid point 409 (158/489) ======================= q-point: (-0.29 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -1.653 -0.317 -0.797) 1.862 3.129 ( 2.776 0.684 0.270) 2.872 3.625 ( 0.156 12.000 -3.350) 12.460 3.898 ( -1.366 -10.238 3.307) 10.845 4.941 ( -9.758 17.612 -0.661) 20.145 5.340 ( 6.862 -13.723 0.786) 15.363 9.413 ( -6.540 0.315 1.068) 6.634 9.917 ( 1.843 6.288 2.464) 7.001 10.128 ( 7.695 -6.540 -4.553) 11.078 11.695 ( -4.368 7.357 3.192) 9.132 12.013 ( -3.685 0.612 -2.336) 4.406 14.566 ( 4.989 -4.163 -0.178) 6.500 ======================= Grid point 410 (159/489) ======================= q-point: (-0.24 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -5.274 1.137 0.604) 5.429 3.196 ( 3.098 -0.841 -0.795) 3.307 3.587 ( -8.428 2.852 -2.511) 9.245 3.904 ( 6.348 -2.658 2.382) 7.283 4.730 ( -19.986 0.528 -0.047) 19.993 5.446 ( 8.466 -0.502 0.236) 8.484 9.250 ( -10.593 -0.184 1.171) 10.659 9.945 ( -1.401 -2.390 -1.069) 2.969 10.311 ( 14.104 3.297 -0.903) 14.513 11.666 ( -2.405 -6.942 -1.411) 7.481 11.868 ( -12.715 6.610 2.191) 14.497 14.685 ( 10.432 -0.535 -0.649) 10.466 ======================= Grid point 411 (160/489) ======================= q-point: (-0.18 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -6.948 2.364 2.463) 7.741 3.123 ( -8.742 -4.139 -0.526) 9.687 3.549 ( 4.832 -0.208 -4.070) 6.321 3.980 ( 1.119 1.108 1.218) 1.991 4.346 ( -19.443 -6.098 1.259) 20.415 5.545 ( -0.028 4.165 0.093) 4.166 9.079 ( -10.702 3.043 0.279) 11.129 9.837 ( -8.190 -1.775 -1.496) 8.513 10.615 ( 17.700 1.681 -1.268) 17.825 11.406 ( -8.584 -17.339 -3.897) 19.736 11.835 ( -3.129 8.205 6.228) 10.766 14.876 ( 10.268 2.161 -2.346) 10.752 ======================= Grid point 412 (161/489) ======================= q-point: (-0.12 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -8.121 3.298 3.881) 9.585 2.877 ( -12.474 -5.244 0.295) 13.534 3.657 ( 8.192 -0.388 -7.929) 11.407 3.830 ( -16.668 -7.803 -1.847) 18.497 4.097 ( -4.808 1.761 5.982) 7.874 5.519 ( -8.836 5.880 0.461) 10.624 8.938 ( -10.222 5.705 -2.620) 11.996 9.611 ( -16.216 0.176 -1.277) 16.268 10.941 ( 19.668 -2.123 -5.007) 20.406 11.096 ( -5.029 -15.163 0.420) 15.981 11.921 ( 4.657 1.834 7.102) 8.688 15.051 ( 7.570 2.965 -4.169) 9.136 ======================= Grid point 413 (162/489) ======================= q-point: (-0.06 0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -9.645 4.205 4.609) 11.487 2.613 ( -12.304 -3.667 0.643) 12.855 3.426 ( -18.063 -7.492 -0.884) 19.575 3.740 ( 3.505 0.720 -11.713) 12.247 4.089 ( -1.789 2.301 6.769) 7.369 5.365 ( -16.583 7.641 1.327) 18.307 8.818 ( -8.980 6.269 -5.937) 12.458 9.286 ( -20.616 1.575 -1.767) 20.751 10.878 ( -2.126 -9.771 -0.291) 10.003 11.283 ( 21.434 -4.671 -6.534) 22.889 12.082 ( 11.897 -3.505 11.095) 16.641 15.167 ( 4.327 2.249 -5.633) 7.451 ======================= Grid point 421 (163/489) ======================= q-point: ( 0.41 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -0.000 4.787 0.164) 4.790 2.537 ( -0.000 3.869 9.061) 9.853 3.098 ( 0.000 10.305 -0.730) 10.331 3.399 ( 0.000 -2.602 -14.629) 14.858 4.291 ( -0.000 8.355 3.605) 9.100 5.427 ( -0.000 21.684 2.291) 21.804 9.087 ( 0.000 15.299 -2.265) 15.466 9.106 ( 0.000 5.408 -10.288) 11.623 10.679 ( 0.000 -9.831 -4.546) 10.832 10.724 ( -0.000 -0.518 1.795) 1.868 12.286 ( -0.000 -23.868 6.263) 24.676 15.469 ( 0.000 3.200 -3.092) 4.450 ======================= Grid point 422 (164/489) ======================= q-point: ( 0.47 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 6.243 4.156 -0.004) 7.500 2.599 ( 0.889 2.078 7.926) 8.242 3.261 ( 5.697 5.743 -3.968) 9.010 3.347 ( 4.156 0.190 -9.060) 9.970 4.365 ( -1.442 6.316 3.087) 7.177 5.626 ( -0.526 16.954 1.583) 17.035 9.080 ( -3.293 6.224 -9.790) 12.059 9.314 ( 9.354 12.351 -3.565) 15.898 10.579 ( -1.623 -6.358 -0.270) 6.567 10.784 ( 5.914 0.054 2.496) 6.420 12.061 ( -0.716 -21.433 3.729) 21.766 15.436 ( -6.373 2.688 -2.775) 7.453 ======================= Grid point 423 (165/489) ======================= q-point: ( 0.53 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 1.797 0.961 5.380) 5.753 2.727 ( 11.204 3.491 0.990) 11.777 3.245 ( -0.757 -1.269 -8.649) 8.774 3.625 ( 17.547 7.320 -0.932) 19.035 4.380 ( -3.391 3.308 2.411) 5.316 5.745 ( -2.935 11.217 0.880) 11.628 9.087 ( -0.490 7.786 -6.382) 10.079 9.612 ( 11.706 9.322 -2.781) 15.221 10.482 ( -4.796 -2.669 0.601) 5.522 10.935 ( 12.576 -2.764 1.585) 12.973 11.880 ( 0.450 -14.670 2.666) 14.917 15.285 ( -12.174 1.434 -2.761) 12.566 ======================= Grid point 424 (166/489) ======================= q-point: ( 0.59 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 2.417 -0.360 3.689) 4.425 2.989 ( 14.027 3.474 0.477) 14.459 3.198 ( -1.515 -0.153 -4.892) 5.124 4.030 ( 19.096 7.710 -1.485) 20.647 4.333 ( -3.516 -0.438 2.322) 4.236 5.745 ( -6.927 5.320 0.287) 8.739 9.191 ( 3.894 8.972 -1.765) 9.939 9.831 ( 6.392 2.979 -2.657) 7.536 10.347 ( -8.877 -1.364 0.468) 8.994 11.205 ( 21.946 -2.873 -0.446) 22.137 11.808 ( 1.531 -5.503 3.072) 6.486 15.037 ( -15.560 -0.054 -2.420) 15.748 ======================= Grid point 425 (167/489) ======================= q-point: ( 0.65 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 3.157 -0.811 1.529) 3.600 3.158 ( -2.241 0.717 -1.725) 2.917 3.274 ( 14.384 3.024 0.440) 14.705 4.163 ( -7.992 0.743 -0.742) 8.061 4.518 ( 21.669 3.227 0.881) 21.925 5.612 ( -11.511 0.303 -0.079) 11.516 9.366 ( 6.213 6.231 0.667) 8.825 9.902 ( 2.646 0.176 -2.527) 3.663 10.156 ( -10.105 -2.522 0.627) 10.434 11.599 ( 21.931 1.326 -2.604) 22.125 11.816 ( 1.676 -1.467 3.971) 4.553 14.756 ( -14.383 -0.781 -1.322) 14.465 ======================= Grid point 426 (168/489) ======================= q-point: (-0.29 -0.59 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 2.808 -0.296 0.110) 2.825 3.126 ( -1.693 0.708 0.118) 1.839 3.542 ( 13.219 1.240 0.877) 13.306 3.983 ( -10.972 -1.234 -0.930) 11.080 4.921 ( 20.521 0.055 0.257) 20.522 5.364 ( -15.828 -0.303 -0.274) 15.833 9.467 ( 1.500 -1.967 -0.866) 2.621 9.970 ( 0.092 -5.053 -1.045) 5.161 9.998 ( -1.204 8.127 2.137) 8.489 11.775 ( -1.755 -0.986 -0.690) 2.128 11.952 ( 11.823 -0.248 0.518) 11.837 14.560 ( -6.557 0.836 0.074) 6.611 ======================= Grid point 427 (169/489) ======================= q-point: (-0.24 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -0.479 1.505 0.662) 1.713 3.121 ( 1.423 -1.165 -0.454) 1.895 3.689 ( 0.918 -11.751 3.354) 12.255 3.836 ( -1.961 10.220 -3.226) 10.895 4.951 ( -9.804 -17.489 0.363) 20.053 5.328 ( 7.080 13.342 -0.447) 15.111 9.403 ( -4.731 -1.644 -0.170) 5.011 9.873 ( 0.042 -6.386 -1.886) 6.659 10.199 ( 7.322 9.866 2.811) 12.604 11.644 ( -6.086 -10.967 -2.045) 12.708 12.049 ( -1.224 1.438 1.386) 2.342 14.568 ( 3.997 4.465 0.092) 5.994 ======================= Grid point 428 (170/489) ======================= q-point: (-0.18 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -4.730 3.379 2.800) 6.452 3.122 ( 1.011 -5.393 -2.222) 5.920 3.519 ( -3.988 -6.552 0.362) 7.679 3.970 ( 3.576 6.134 -0.691) 7.134 4.550 ( -15.328 -15.430 0.598) 21.757 5.560 ( 5.180 9.124 -0.281) 10.496 9.304 ( -8.344 4.725 1.139) 9.656 9.826 ( 2.410 -6.414 -3.229) 7.574 10.430 ( 8.311 6.583 2.280) 10.844 11.339 ( -8.823 -19.997 -3.280) 22.102 11.998 ( -5.654 1.278 3.504) 6.773 14.746 ( 8.617 6.912 -1.410) 11.136 ======================= Grid point 429 (171/489) ======================= q-point: (-0.12 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -7.014 3.713 4.257) 9.006 2.987 ( -7.184 -7.801 -0.795) 10.635 3.492 ( 5.766 -2.624 -4.223) 7.613 3.975 ( -8.966 -6.512 -1.120) 11.138 4.210 ( -6.666 -2.998 2.603) 7.759 5.676 ( -1.531 7.528 0.057) 7.682 9.208 ( -11.443 9.742 -0.827) 15.051 9.778 ( -3.147 -2.587 -2.989) 5.053 10.635 ( 11.089 0.002 1.583) 11.201 10.984 ( -4.651 -21.448 -2.272) 22.064 11.929 ( -2.608 -1.816 3.973) 5.088 14.958 ( 7.551 7.165 -2.894) 10.804 ======================= Grid point 430 (172/489) ======================= q-point: (-0.06 0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -7.821 0.423 3.305) 8.501 2.779 ( -9.698 -1.798 1.837) 10.033 3.580 ( 8.170 -2.275 -8.605) 12.082 3.621 ( -15.140 -11.003 -0.684) 18.728 4.192 ( -2.637 4.160 3.962) 6.321 5.662 ( -8.550 7.215 0.697) 11.209 9.089 ( -13.362 11.216 -4.973) 18.140 9.603 ( -14.401 0.060 -2.954) 14.701 10.781 ( 1.266 -12.871 0.083) 12.933 10.848 ( 17.978 -7.663 0.501) 19.549 11.916 ( 4.374 -5.505 4.308) 8.246 15.119 ( 4.301 5.803 -3.671) 8.102 ======================= Grid point 439 (173/489) ======================= q-point: ( 0.47 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 0.000 2.873 -0.086) 2.874 2.629 ( -0.000 0.670 6.595) 6.629 3.264 ( 0.000 6.430 -0.349) 6.440 3.267 ( 0.000 -2.200 -9.815) 10.058 4.445 ( -0.000 4.972 2.093) 5.395 5.790 ( -0.000 13.278 1.017) 13.317 9.127 ( 0.000 3.972 -12.127) 12.761 9.314 ( 0.000 8.808 -2.330) 9.111 10.565 ( -0.000 -2.329 5.011) 5.525 10.752 ( -0.000 1.652 1.881) 2.503 11.860 ( -0.000 -19.786 1.236) 19.824 15.515 ( 0.000 2.751 -2.164) 3.500 ======================= Grid point 440 (174/489) ======================= q-point: ( 0.53 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 6.801 2.108 -0.123) 7.121 2.654 ( 0.840 -0.475 5.222) 5.310 3.223 ( -0.277 -0.307 -5.974) 5.989 3.420 ( 11.189 4.194 -0.386) 11.955 4.470 ( -2.308 2.809 1.086) 3.794 5.890 ( -1.681 8.511 0.420) 8.685 9.131 ( -0.002 4.780 -7.232) 8.669 9.476 ( 9.878 5.668 -2.020) 11.567 10.562 ( -1.552 2.012 4.586) 5.243 10.776 ( 1.643 -2.819 0.567) 3.312 11.710 ( 2.757 -13.311 0.545) 13.604 15.470 ( -7.202 1.979 -2.036) 7.741 ======================= Grid point 441 (175/489) ======================= q-point: ( 0.59 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 1.498 -1.039 2.667) 3.231 2.779 ( 12.128 1.105 0.648) 12.195 3.210 ( -0.546 1.218 -2.137) 2.520 3.723 ( 19.201 2.685 -0.293) 19.390 4.426 ( -4.855 0.521 0.175) 4.886 5.897 ( -4.698 3.624 -0.117) 5.935 9.194 ( 2.761 5.214 -1.523) 6.093 9.703 ( 10.282 2.247 -1.530) 10.635 10.534 ( -9.272 3.935 2.249) 10.321 10.820 ( 14.194 -6.918 -1.108) 15.829 11.701 ( 5.273 -4.380 1.301) 6.977 15.297 ( -13.342 1.088 -1.783) 13.504 ======================= Grid point 442 (176/489) ======================= q-point: (-0.35 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 2.359 -1.474 1.064) 2.978 3.024 ( 14.578 -0.152 -0.042) 14.579 3.210 ( -1.347 2.345 1.421) 3.055 4.116 ( 22.947 1.008 -0.505) 22.975 4.315 ( -7.002 -1.570 -0.476) 7.192 5.796 ( -8.612 -0.200 -0.502) 8.628 9.299 ( 4.724 0.870 0.937) 4.894 9.843 ( 4.850 1.679 -1.063) 5.241 10.351 ( -11.784 -0.793 0.963) 11.849 11.152 ( 25.577 0.225 -1.305) 25.612 11.767 ( 3.726 -1.216 1.414) 4.167 15.036 ( -16.487 0.998 -0.840) 16.538 ======================= Grid point 443 (177/489) ======================= q-point: (-0.29 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 3.579 -1.469 -0.430) 3.893 3.177 ( -0.434 0.980 0.295) 1.111 3.301 ( 12.308 -0.830 3.376) 12.789 4.152 ( -9.151 -0.814 -2.046) 9.413 4.510 ( 22.616 -4.513 0.064) 23.062 5.607 ( -11.456 -0.585 -0.635) 11.488 9.344 ( 4.178 -7.444 -1.653) 8.695 9.936 ( 2.784 1.955 1.003) 3.547 10.176 ( -8.714 4.544 2.728) 10.199 11.610 ( 24.061 1.439 -1.883) 24.177 11.778 ( -0.664 -3.886 0.491) 3.972 14.776 ( -14.258 2.866 0.777) 14.564 ======================= Grid point 444 (178/489) ======================= q-point: (-0.24 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 4.572 -1.089 -1.398) 4.903 3.151 ( -3.360 0.765 2.074) 4.021 3.486 ( 9.790 -6.737 3.566) 12.407 3.998 ( -7.233 3.088 -3.165) 8.478 4.729 ( 10.796 -15.755 -0.071) 19.099 5.459 ( -5.452 6.749 -0.611) 8.697 9.316 ( 4.735 -9.765 -3.158) 11.302 9.898 ( -4.936 -3.071 1.616) 6.034 10.239 ( 1.926 12.556 4.294) 13.410 11.644 ( -6.658 -10.814 -0.749) 12.722 11.941 ( 12.709 -0.157 -1.955) 12.860 14.647 ( -5.633 6.741 1.812) 8.970 ======================= Grid point 445 (179/489) ======================= q-point: (-0.18 -0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 4.011 0.043 -1.267) 4.207 3.085 ( -3.868 -2.894 1.434) 5.039 3.487 ( -0.376 -8.881 3.393) 9.514 3.990 ( 0.929 6.140 -2.478) 6.686 4.557 ( -6.017 -20.194 -0.152) 21.072 5.563 ( 4.999 9.207 -0.512) 10.489 9.330 ( 6.801 -5.206 -1.467) 8.689 9.784 ( -5.155 -2.121 1.197) 5.702 10.422 ( 3.762 9.943 3.041) 11.057 11.325 ( -12.382 -17.728 -1.833) 21.702 12.036 ( 1.114 -2.763 -0.459) 3.015 14.723 ( 3.344 9.700 0.983) 10.307 ======================= Grid point 446 (180/489) ======================= q-point: (-0.12 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( -2.049 2.878 2.300) 4.216 2.962 ( -2.275 -8.907 -1.699) 9.348 3.406 ( -0.573 -3.835 0.853) 3.971 4.016 ( -3.721 -6.506 -0.554) 7.516 4.266 ( -4.818 -7.088 -0.139) 8.571 5.728 ( 3.764 6.747 -0.277) 7.731 9.429 ( 2.862 5.579 0.620) 6.301 9.695 ( -0.652 -4.013 -0.733) 4.132 10.571 ( 3.018 5.781 1.879) 6.787 10.887 ( -12.449 -21.842 -2.009) 25.221 11.962 ( -3.792 -5.263 0.797) 6.536 14.917 ( 6.294 9.812 -0.501) 11.668 ======================= Grid point 447 (181/489) ======================= q-point: (-0.06 0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -6.587 -6.946 0.788) 9.605 2.920 ( -3.786 2.999 2.265) 5.335 3.409 ( 4.656 -2.588 -4.061) 6.698 3.723 ( -11.235 -14.268 -0.229) 18.162 4.263 ( 0.250 3.818 1.212) 4.014 5.812 ( -1.210 5.327 0.221) 5.468 9.445 ( -12.468 13.861 -1.713) 18.722 9.705 ( 2.630 -2.457 -3.032) 4.706 10.508 ( -0.274 -20.126 4.447) 20.613 10.677 ( 3.753 -1.358 -2.006) 4.467 11.843 ( -2.008 -7.050 1.074) 7.408 15.104 ( 4.639 7.880 -1.248) 9.229 ======================= Grid point 457 (182/489) ======================= q-point: ( 0.53 0.53 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -0.000 1.007 0.108) 1.013 2.652 ( -0.000 -1.300 3.727) 3.948 3.215 ( 0.000 1.084 -2.456) 2.685 3.350 ( 0.000 2.232 -0.075) 2.233 4.513 ( 0.000 1.199 -0.026) 1.199 5.970 ( 0.000 4.292 -0.128) 4.294 9.157 ( 0.000 4.316 -2.649) 5.064 9.425 ( 0.000 3.336 -0.315) 3.351 10.573 ( -0.000 -1.269 1.443) 1.922 10.786 ( -0.000 0.548 0.154) 0.569 11.565 ( -0.000 -8.040 0.317) 8.047 15.546 ( 0.000 1.405 -1.864) 2.334 ======================= Grid point 458 (183/489) ======================= q-point: (-0.41 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 6.636 0.030 -0.110) 6.637 2.652 ( 1.109 -1.949 2.498) 3.357 3.233 ( -0.118 2.915 1.258) 3.177 3.463 ( 11.328 0.137 0.044) 11.329 4.491 ( -2.627 -0.677 -1.066) 2.915 5.972 ( -2.045 -0.279 -0.640) 2.161 9.211 ( 0.717 4.201 3.500) 5.515 9.536 ( 9.293 1.098 0.638) 9.379 10.587 ( 5.106 -4.813 -3.685) 7.925 10.718 ( -6.741 1.264 0.049) 6.859 11.580 ( 5.122 0.238 1.284) 5.286 15.485 ( -7.348 0.624 -1.725) 7.573 ======================= Grid point 459 (184/489) ======================= q-point: (-0.35 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 1.525 -2.325 -0.003) 2.780 2.779 ( 12.065 -1.487 0.583) 12.170 3.270 ( -0.906 4.020 4.276) 5.938 3.728 ( 19.390 -2.145 0.262) 19.510 4.404 ( -5.049 -2.102 -2.182) 5.888 5.888 ( -4.623 -4.131 -1.036) 6.286 9.258 ( 0.442 -1.015 5.183) 5.300 9.728 ( 10.090 0.455 1.176) 10.169 10.488 ( -5.918 -5.844 -2.674) 8.737 10.818 ( 13.202 5.952 -1.259) 14.537 11.698 ( 4.547 3.146 0.907) 5.603 15.305 ( -12.954 0.523 -0.982) 13.002 ======================= Grid point 460 (185/489) ======================= q-point: (-0.29 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 2.743 -2.796 -1.464) 4.181 2.984 ( 13.534 -3.771 0.007) 14.049 3.306 ( -1.771 4.663 6.636) 8.302 4.056 ( 21.128 -6.972 1.179) 22.280 4.273 ( -5.675 -1.388 -4.086) 7.130 5.732 ( -6.690 -5.669 -1.126) 8.840 9.221 ( -0.064 -8.499 1.254) 8.592 9.868 ( 6.050 -2.884 1.192) 6.807 10.367 ( -5.989 5.134 2.737) 8.350 11.195 ( 23.006 2.857 -1.607) 23.239 11.772 ( 0.067 2.550 -0.672) 2.638 15.066 ( -14.824 1.968 0.635) 14.968 ======================= Grid point 461 (186/489) ======================= q-point: (-0.24 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 4.439 -3.103 -2.759) 6.078 3.129 ( 7.539 -6.575 -0.106) 10.004 3.358 ( 0.808 3.762 8.140) 9.004 4.100 ( -4.195 -3.800 -1.777) 5.932 4.350 ( 15.314 -9.798 -2.179) 18.310 5.572 ( -4.806 -2.750 -0.901) 5.610 9.127 ( 2.242 -11.536 -1.751) 11.881 9.876 ( 1.942 -8.260 0.192) 8.487 10.414 ( -3.080 14.621 7.278) 16.620 11.531 ( 12.304 -10.153 0.960) 15.981 11.782 ( 1.538 7.264 -5.191) 9.060 14.871 ( -11.136 5.234 2.502) 12.556 ======================= Grid point 462 (187/489) ======================= q-point: (-0.18 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 6.157 -3.264 -3.728) 7.903 3.108 ( -0.710 -8.190 1.139) 8.299 3.433 ( 1.028 0.792 7.641) 7.751 4.019 ( -1.050 -0.943 -2.275) 2.677 4.376 ( 3.791 -16.830 -2.003) 17.368 5.552 ( 3.234 2.212 -0.701) 3.981 9.094 ( 7.747 -10.131 -1.263) 12.816 9.812 ( 0.222 -7.270 1.085) 7.354 10.541 ( -2.396 14.123 6.383) 15.682 11.373 ( -10.054 -14.491 -0.300) 17.640 11.940 ( 6.234 2.478 -4.854) 8.281 14.824 ( -3.113 8.656 3.116) 9.712 ======================= Grid point 463 (188/489) ======================= q-point: (-0.12 -0.47 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 6.689 -3.865 -4.328) 8.855 2.977 ( -3.556 -9.129 1.313) 9.884 3.443 ( -3.349 1.752 6.470) 7.493 3.970 ( -1.380 -11.841 0.210) 11.923 4.236 ( -0.250 -5.975 -3.064) 6.720 5.679 ( 7.110 2.611 -0.587) 7.597 9.200 ( 14.288 -6.718 0.852) 15.811 9.753 ( -1.172 -3.971 2.482) 4.827 10.632 ( -2.653 9.419 2.253) 10.041 10.979 ( -17.019 -14.075 -1.090) 22.113 11.961 ( -1.748 -2.858 -2.826) 4.383 14.935 ( 3.215 9.651 2.191) 10.405 ======================= Grid point 475 (189/489) ======================= q-point: (-0.41 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -0.000 -0.941 0.349) 1.004 2.626 ( -0.000 -2.663 0.941) 2.825 3.283 ( -0.000 4.849 4.819) 6.836 3.352 ( -0.000 -2.040 0.151) 2.045 4.493 ( 0.000 -2.527 -2.152) 3.319 5.960 ( 0.000 -4.870 -1.150) 5.004 9.273 ( -0.000 4.099 9.854) 10.673 9.448 ( -0.000 -1.768 2.117) 2.758 10.491 ( 0.000 -3.338 -7.294) 8.021 10.766 ( 0.000 -1.823 -1.944) 2.665 11.581 ( -0.000 8.049 1.907) 8.272 15.546 ( 0.000 -0.228 -1.857) 1.871 ======================= Grid point 476 (190/489) ======================= q-point: (-0.35 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 4.790 -2.205 -0.784) 5.331 2.607 ( 2.678 -3.408 0.527) 4.366 3.346 ( -0.180 4.502 7.011) 8.334 3.430 ( 10.800 -2.683 0.992) 11.173 4.429 ( -2.393 -4.198 -3.288) 5.845 5.871 ( -1.623 -9.095 -1.585) 9.373 9.293 ( -3.112 -2.078 9.325) 10.048 9.531 ( 10.067 -3.680 4.170) 11.501 10.463 ( 0.680 0.545 -5.794) 5.859 10.749 ( 2.182 0.839 -2.063) 3.118 11.713 ( 1.975 11.187 0.692) 11.381 15.475 ( -6.768 -0.540 -1.508) 6.955 ======================= Grid point 477 (191/489) ======================= q-point: (-0.29 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 1.686 -4.123 -2.472) 5.094 2.724 ( 11.165 -4.261 0.305) 11.955 3.411 ( -1.010 5.145 9.130) 10.528 3.644 ( 17.387 -6.244 1.118) 18.508 4.315 ( -3.814 -4.678 -4.615) 7.598 5.720 ( -2.659 -11.696 -1.739) 12.120 9.188 ( -4.611 -8.441 3.932) 10.391 9.661 ( 9.928 -10.308 2.214) 14.482 10.507 ( -0.826 10.139 3.586) 10.786 10.899 ( 13.392 2.322 -2.153) 13.761 11.841 ( -0.597 10.996 -1.624) 11.131 15.309 ( -11.161 0.378 -0.210) 11.169 ======================= Grid point 478 (192/489) ======================= q-point: (-0.24 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 3.301 -4.801 -3.653) 6.876 2.871 ( 11.456 -7.437 -0.295) 13.661 3.467 ( -2.143 5.579 10.532) 12.110 3.864 ( 16.280 -12.599 1.746) 20.660 4.199 ( -2.117 -2.843 -6.449) 7.359 5.555 ( -1.596 -11.145 -1.479) 11.356 9.019 ( -3.132 -10.863 0.144) 11.306 9.675 ( 6.956 -15.036 -0.676) 16.581 10.649 ( -2.106 16.995 10.627) 20.155 11.180 ( 17.016 -3.619 -0.899) 17.420 11.899 ( -3.955 11.505 -5.089) 13.187 15.122 ( -11.529 2.763 1.896) 12.006 ======================= Grid point 479 (193/489) ======================= q-point: (-0.18 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 5.340 -5.090 -4.435) 8.608 2.939 ( 6.805 -11.428 -0.517) 13.310 3.519 ( -1.938 5.566 11.139) 12.602 3.916 ( 6.090 -15.338 1.464) 16.568 4.166 ( 3.289 -4.216 -6.917) 8.743 5.468 ( 3.613 -7.352 -1.113) 8.267 8.899 ( 2.198 -9.951 0.049) 10.191 9.630 ( 6.508 -15.399 -0.836) 16.738 10.802 ( -4.992 17.341 11.777) 21.548 11.298 ( 3.728 -11.814 0.083) 12.388 11.944 ( -1.551 12.076 -8.481) 14.838 15.004 ( -7.312 5.749 3.778) 10.039 ======================= Grid point 480 (194/489) ======================= q-point: (-0.12 -0.41 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 7.071 -5.011 -4.811) 9.912 2.879 ( 1.478 -13.125 -0.249) 13.210 3.570 ( -2.935 5.538 10.666) 12.371 3.818 ( 1.647 -18.397 1.035) 18.500 4.153 ( 2.598 -2.659 -6.186) 7.217 5.526 ( 9.317 -4.464 -0.974) 10.377 8.915 ( 9.602 -7.650 2.380) 12.506 9.601 ( 7.273 -14.048 0.843) 15.841 10.874 ( -8.224 12.795 9.037) 17.692 11.110 ( -10.563 -8.874 -2.111) 13.957 11.988 ( -2.649 6.007 -7.517) 9.980 15.012 ( -1.016 7.436 4.249) 8.624 ======================= Grid point 493 (195/489) ======================= q-point: (-0.35 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -0.000 -3.044 0.316) 3.061 2.553 ( 0.000 -4.543 -1.683) 4.844 3.270 ( -0.000 -6.196 0.341) 6.205 3.456 ( -0.000 7.093 10.508) 12.678 4.385 ( 0.000 -6.260 -4.426) 7.667 5.761 ( 0.000 -13.930 -2.069) 14.083 9.352 ( -0.000 -4.983 10.819) 11.911 9.363 ( -0.000 -8.687 2.847) 9.142 10.493 ( 0.000 9.615 -1.770) 9.776 10.710 ( 0.000 -1.648 -2.537) 3.026 11.840 ( 0.000 15.827 -1.001) 15.859 15.519 ( 0.000 -1.159 -1.742) 2.093 ======================= Grid point 494 (196/489) ======================= q-point: (-0.29 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.807 -5.438 -3.259) 6.391 2.526 ( 6.040 -4.852 0.243) 7.752 3.290 ( 9.891 -8.252 0.760) 12.904 3.556 ( -0.455 6.319 11.998) 13.568 4.285 ( -1.543 -7.172 -5.573) 9.213 5.589 ( -0.331 -17.589 -2.335) 17.746 9.203 ( -5.109 -9.877 3.138) 11.554 9.384 ( 7.382 -13.446 3.120) 15.653 10.648 ( 1.250 16.545 7.236) 18.101 10.743 ( 5.801 0.709 -1.299) 5.987 11.991 ( -1.148 16.417 -3.823) 16.896 15.452 ( -5.623 -0.743 -1.075) 5.773 ======================= Grid point 495 (197/489) ======================= q-point: (-0.24 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 2.082 -6.765 -4.325) 8.295 2.609 ( 9.530 -7.084 -0.497) 11.885 3.421 ( 14.316 -10.283 1.647) 17.703 3.628 ( -0.841 2.478 11.905) 12.189 4.171 ( -1.504 -5.401 -6.406) 8.513 5.400 ( 1.110 -18.836 -2.201) 18.996 9.003 ( -6.104 -10.053 -0.018) 11.761 9.361 ( 8.127 -18.501 -0.262) 20.209 10.878 ( 4.606 13.199 7.411) 15.823 10.914 ( 7.239 6.413 6.878) 11.868 12.092 ( -4.051 15.919 -7.434) 18.030 15.322 ( -8.615 0.898 0.709) 8.691 ======================= Grid point 496 (198/489) ======================= q-point: (-0.18 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 4.321 -7.418 -4.890) 9.880 2.684 ( 8.753 -10.496 -1.115) 13.712 3.552 ( 12.473 -13.189 2.066) 18.270 3.647 ( -0.918 -1.946 11.094) 11.301 4.101 ( -0.142 -1.720 -6.387) 6.616 5.263 ( 5.371 -16.860 -1.834) 17.790 8.821 ( -3.338 -8.213 0.007) 8.866 9.308 ( 8.701 -19.877 -1.412) 21.744 11.074 ( 7.729 -4.861 1.913) 9.329 11.113 ( -1.900 18.635 15.388) 24.241 12.134 ( -5.870 16.051 -11.513) 20.607 15.198 ( -8.105 3.196 3.126) 9.256 ======================= Grid point 497 (199/489) ======================= q-point: (-0.12 -0.35 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 6.872 -7.232 -4.916) 11.121 2.682 ( 5.146 -13.171 -1.030) 14.178 3.552 ( 6.475 -20.209 1.262) 21.259 3.676 ( 0.614 1.798 11.443) 11.600 4.081 ( 0.768 -0.046 -6.351) 6.398 5.253 ( 11.370 -13.228 -1.610) 17.517 8.745 ( 2.780 -5.892 2.571) 7.003 9.273 ( 10.327 -18.967 -0.342) 21.599 11.052 ( -2.891 -8.000 2.842) 8.969 11.269 ( -6.101 16.481 11.825) 21.182 12.142 ( -6.606 13.852 -13.577) 20.490 15.139 ( -4.500 4.890 5.031) 8.335 ======================= Grid point 511 (200/489) ======================= q-point: (-0.29 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 0.000 -7.463 -4.049) 8.490 2.420 ( 0.000 -5.476 -0.232) 5.481 3.110 ( -0.000 -9.911 0.531) 9.925 3.659 ( -0.000 4.175 13.571) 14.199 4.201 ( 0.000 -7.677 -6.174) 9.851 5.379 ( 0.000 -22.446 -2.773) 22.617 9.120 ( -0.000 -16.581 1.249) 16.628 9.209 ( -0.000 -10.414 0.519) 10.427 10.696 ( 0.000 1.708 -1.076) 2.019 10.864 ( -0.000 20.920 15.368) 25.958 12.164 ( 0.000 18.101 -6.993) 19.405 15.487 ( 0.000 -0.943 -1.256) 1.571 ======================= Grid point 512 (201/489) ======================= q-point: (-0.24 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.965 -9.205 -5.088) 10.562 2.404 ( 5.293 -7.290 -0.890) 9.053 3.089 ( 9.374 -11.850 0.658) 15.124 3.700 ( -1.053 -2.710 11.688) 12.044 4.119 ( -0.384 -3.407 -4.358) 5.545 5.140 ( 1.788 -25.237 -2.918) 25.468 8.955 ( 0.229 -16.249 -1.155) 16.292 9.096 ( 0.311 -12.313 -1.421) 12.398 10.764 ( 5.074 2.816 -0.281) 5.809 11.148 ( 0.724 21.320 21.601) 30.359 12.298 ( -2.646 18.137 -10.855) 21.303 15.439 ( -4.190 -0.079 -0.272) 4.200 ======================= Grid point 513 (202/489) ======================= q-point: (-0.18 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 3.186 -10.613 -5.531) 12.384 2.433 ( 7.645 -9.856 -1.721) 12.591 3.165 ( 13.178 -14.779 0.662) 19.812 3.651 ( 0.151 -8.980 7.258) 11.547 4.099 ( -0.830 2.063 -0.195) 2.232 4.941 ( 6.122 -25.014 -2.866) 25.911 8.798 ( -1.151 -11.490 -2.320) 11.778 8.981 ( 3.301 -15.299 -1.015) 15.684 10.900 ( 7.298 0.643 0.327) 7.333 11.413 ( -1.952 18.520 23.870) 30.275 12.371 ( -5.487 18.570 -15.151) 24.586 15.355 ( -6.050 1.515 1.868) 6.511 ======================= Grid point 514 (203/489) ======================= q-point: (-0.12 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 6.498 -10.954 -5.125) 13.729 2.443 ( 6.782 -12.344 -1.789) 14.198 3.211 ( 10.087 -18.390 0.825) 20.991 3.616 ( 4.830 -8.801 4.979) 11.206 4.112 ( -1.909 4.096 1.451) 4.746 4.856 ( 12.712 -21.969 -2.807) 25.536 8.690 ( 0.161 -6.597 -0.107) 6.599 8.909 ( 7.171 -16.481 0.076) 17.974 10.983 ( 2.528 -3.464 0.344) 4.302 11.593 ( -4.852 15.482 22.443) 27.693 12.389 ( -8.207 18.481 -18.929) 27.699 15.284 ( -5.475 2.932 4.453) 7.642 ======================= Grid point 529 (204/489) ======================= q-point: (-0.24 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.000 -11.620 -6.270) 13.204 2.274 ( 0.000 -8.851 -1.454) 8.970 2.886 ( -0.000 -12.361 0.819) 12.389 3.652 ( -0.000 -13.089 5.299) 14.121 4.114 ( -0.000 1.855 2.441) 3.066 4.835 ( 0.000 -29.035 -3.625) 29.260 8.732 ( 0.000 -21.323 -0.693) 21.334 9.022 ( 0.000 -5.376 -4.793) 7.202 10.765 ( -0.000 5.018 0.605) 5.055 11.427 ( -0.000 19.940 27.312) 33.816 12.472 ( 0.000 19.374 -14.704) 24.322 15.471 ( 0.000 -0.208 -0.365) 0.420 ======================= Grid point 530 (205/489) ======================= q-point: (-0.18 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 1.631 -13.873 -6.899) 15.579 2.212 ( 4.815 -11.122 -2.386) 12.352 2.835 ( 7.946 -13.354 0.869) 15.564 3.509 ( 1.430 -17.581 1.336) 17.690 4.145 ( -0.027 0.260 7.160) 7.165 4.563 ( 3.804 -27.467 -4.725) 28.129 8.547 ( 4.017 -21.561 -1.676) 21.996 8.944 ( -3.286 -1.180 -4.280) 5.524 10.846 ( 2.601 4.845 1.043) 5.597 11.688 ( -0.827 14.659 29.304) 32.776 12.599 ( -3.256 21.497 -18.016) 28.236 15.445 ( -2.713 0.403 0.820) 2.863 ======================= Grid point 531 (206/489) ======================= q-point: (-0.12 -0.24 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 5.273 -15.168 -6.261) 17.236 2.189 ( 7.021 -13.181 -2.589) 15.157 2.862 ( 10.066 -15.203 0.834) 18.253 3.395 ( 5.934 -16.863 0.304) 17.879 4.157 ( 3.346 -7.312 8.855) 11.961 4.410 ( 7.015 -18.275 -6.003) 20.475 8.434 ( 7.859 -20.099 -1.883) 21.662 8.867 ( -5.019 2.254 -1.281) 5.649 10.933 ( 2.160 2.253 0.878) 3.242 11.857 ( -2.540 8.457 26.574) 28.003 12.679 ( -7.495 23.573 -19.799) 31.684 15.401 ( -3.807 1.310 3.067) 5.061 ======================= Grid point 547 (207/489) ======================= q-point: (-0.18 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.000 -16.435 -8.457) 18.483 2.031 ( 0.000 -14.322 -3.176) 14.670 2.641 ( -0.000 -12.051 1.157) 12.106 3.288 ( 0.000 -22.329 -0.987) 22.351 4.030 ( -0.000 -28.686 6.545) 29.424 4.355 ( 0.000 -2.742 -2.310) 3.585 8.288 ( 0.000 -21.349 -1.497) 21.401 8.976 ( 0.000 4.406 -5.345) 6.927 10.892 ( -0.000 6.687 1.260) 6.805 11.899 ( -0.000 7.121 29.686) 30.528 12.809 ( 0.000 25.624 -17.749) 31.171 15.469 ( -0.000 -0.311 0.711) 0.776 ======================= Grid point 548 (208/489) ======================= q-point: (-0.12 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 2.636 -18.527 -8.403) 20.514 1.915 ( 5.849 -16.729 -3.532) 18.070 2.585 ( 5.992 -11.706 1.055) 13.193 3.088 ( 5.120 -23.745 -1.360) 24.329 3.764 ( 7.906 -35.777 2.935) 36.757 4.365 ( -1.065 3.726 1.042) 4.013 8.114 ( 4.463 -19.737 -1.528) 20.292 9.000 ( -3.632 9.105 -3.486) 10.404 10.962 ( -0.120 5.758 1.262) 5.896 12.004 ( -0.839 -0.379 23.816) 23.834 12.998 ( -4.720 28.435 -14.579) 32.301 15.455 ( -1.201 -0.490 1.820) 2.235 ======================= Grid point 565 (209/489) ======================= q-point: (-0.12 -0.12 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 -20.459 -9.925) 22.740 1.651 ( 0.000 -20.935 -4.433) 21.400 2.431 ( -0.000 -9.350 0.980) 9.402 2.755 ( 0.000 -30.836 -1.190) 30.859 3.327 ( -0.000 -36.460 1.962) 36.513 4.419 ( -0.000 3.751 1.663) 4.103 7.882 ( 0.000 -17.725 -1.236) 17.768 9.143 ( 0.000 14.502 -2.588) 14.731 11.037 ( -0.000 6.756 1.081) 6.842 12.029 ( -0.000 -7.501 16.978) 18.561 13.308 ( 0.000 30.556 -7.998) 31.585 15.453 ( -0.000 -2.341 1.508) 2.785 ======================= Grid point 620 (210/489) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -0.000 0.000 21.858) 21.858 0.409 ( -0.000 0.000 21.858) 21.858 0.881 ( -0.000 0.000 47.585) 47.585 2.123 ( 0.000 -0.000 -2.634) 2.634 2.123 ( 0.000 -0.000 -2.634) 2.634 5.263 ( 0.000 -0.000 -9.027) 9.027 7.345 ( -0.000 0.000 1.864) 1.864 7.345 ( -0.000 0.000 1.864) 1.864 11.276 ( 0.000 -0.000 -1.041) 1.041 11.276 ( 0.000 -0.000 -1.041) 1.041 14.772 ( -0.000 0.000 0.647) 0.647 14.890 ( 0.000 -0.000 -0.236) 0.236 ======================= Grid point 621 (211/489) ======================= q-point: ( 0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 18.203 10.509 12.205) 24.305 0.868 ( 13.602 7.853 24.626) 29.208 1.358 ( 31.063 17.934 26.891) 44.830 2.146 ( 2.817 1.626 -3.015) 4.435 2.276 ( 12.732 7.351 -3.156) 15.036 4.658 ( -14.647 -8.457 5.511) 17.788 7.412 ( 5.164 2.981 2.032) 6.300 9.141 ( 59.673 34.452 -52.091) 86.379 11.074 ( -7.250 -4.186 -11.263) 14.033 11.244 ( -2.474 -1.429 -1.067) 3.050 14.569 ( -16.083 -9.286 7.085) 19.877 15.060 ( 10.990 6.345 -7.036) 14.511 ======================= Grid point 622 (212/489) ======================= q-point: ( 0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 20.352 11.750 6.772) 24.457 1.213 ( 11.413 6.589 22.737) 26.280 2.226 ( 34.239 19.768 14.267) 42.031 2.234 ( 5.582 3.223 -3.241) 7.214 2.671 ( 22.262 12.853 -3.373) 25.926 4.463 ( -5.201 -3.003 -3.261) 6.834 7.595 ( 10.012 5.780 1.860) 11.709 9.507 ( -9.532 -5.503 -2.529) 11.293 11.158 ( 18.321 10.577 -37.259) 42.846 11.160 ( -4.369 -2.523 -1.009) 5.145 14.176 ( -19.753 -11.404 13.815) 26.666 15.224 ( 4.913 2.837 -9.589) 11.142 ======================= Grid point 623 (213/489) ======================= q-point: ( 0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 13.139 7.586 15.685) 21.822 1.646 ( 17.590 10.156 4.461) 20.796 2.386 ( 8.365 4.830 -3.149) 10.160 2.903 ( 21.248 12.268 7.370) 25.618 3.318 ( 32.333 18.667 -2.285) 37.405 4.359 ( -2.469 -1.425 -5.032) 5.783 7.883 ( 14.210 8.204 1.289) 16.459 9.127 ( -18.424 -10.637 2.163) 21.384 11.044 ( -5.180 -2.991 -0.777) 6.032 11.460 ( 14.202 8.199 -32.265) 36.193 13.750 ( -21.106 -12.185 18.737) 30.741 15.242 ( -0.144 -0.083 -10.643) 10.645 ======================= Grid point 624 (214/489) ======================= q-point: ( 0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 14.097 8.139 10.575) 19.411 2.010 ( 12.625 7.289 2.688) 14.824 2.604 ( 10.889 6.287 -2.414) 12.803 3.325 ( 14.124 8.154 1.541) 16.381 3.956 ( 17.727 10.234 -8.205) 22.052 4.401 ( 11.457 6.615 3.023) 13.570 8.252 ( 17.007 9.819 0.366) 19.642 8.768 ( -11.402 -6.583 -1.936) 13.307 10.924 ( -4.867 -2.810 -0.276) 5.627 11.578 ( 3.351 1.935 -25.484) 25.776 13.308 ( -22.235 -12.837 20.403) 32.794 15.184 ( -1.395 -0.806 -9.794) 9.926 ======================= Grid point 625 (215/489) ======================= q-point: ( 0.41 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 8.290 4.786 1.112) 9.636 2.265 ( 13.416 7.746 7.858) 17.371 2.860 ( 11.189 6.460 -1.373) 12.993 3.549 ( 5.480 3.164 -7.611) 9.898 4.108 ( 3.573 2.063 -2.347) 4.746 4.888 ( 22.881 13.211 4.333) 26.774 8.615 ( -0.559 -0.323 -5.228) 5.268 8.658 ( 17.574 10.146 -0.804) 20.309 10.822 ( -3.786 -2.186 0.549) 4.406 11.476 ( -5.683 -3.281 -19.552) 20.624 12.831 ( -23.710 -13.689 16.860) 32.153 15.146 ( 0.508 0.293 -6.304) 6.331 ======================= Grid point 626 (216/489) ======================= q-point: ( 0.47 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 5.482 3.165 0.174) 6.333 2.577 ( 11.502 6.641 6.391) 14.739 3.095 ( 9.004 5.199 -0.707) 10.421 3.543 ( -2.227 -1.285 -13.951) 14.186 4.209 ( 4.487 2.590 4.451) 6.830 5.377 ( 17.721 10.231 2.859) 20.662 8.710 ( 10.084 5.822 -6.984) 13.578 9.043 ( 15.531 8.967 -2.019) 18.047 10.752 ( -2.573 -1.486 1.606) 3.377 11.218 ( -12.069 -6.968 -12.009) 18.397 12.324 ( -22.590 -13.042 9.676) 27.821 15.171 ( 2.541 1.467 -2.011) 3.557 ======================= Grid point 627 (217/489) ======================= q-point: ( 0.53 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( 3.268 1.887 -0.264) 3.782 2.835 ( 9.011 5.203 4.721) 11.426 3.266 ( 5.695 3.288 -0.371) 6.587 3.407 ( -4.967 -2.868 -13.151) 14.348 4.318 ( 3.312 1.912 4.539) 5.935 5.718 ( 10.918 6.304 2.069) 12.776 9.022 ( 18.276 10.552 -8.065) 22.592 9.350 ( 11.207 6.470 -2.875) 13.256 10.708 ( -1.852 -1.069 2.512) 3.299 10.842 ( -18.474 -10.666 -2.550) 21.484 11.894 ( -14.801 -8.545 2.174) 17.228 15.236 ( 2.840 1.640 1.252) 3.510 ======================= Grid point 628 (218/489) ======================= q-point: ( 0.59 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 1.147 0.662 -0.420) 1.389 2.976 ( 0.345 0.199 -1.609) 1.658 3.310 ( 1.985 1.146 -5.992) 6.415 3.355 ( 2.021 1.167 -0.178) 2.340 4.375 ( 0.331 0.191 3.201) 3.223 5.891 ( 3.392 1.958 1.564) 4.217 9.483 ( 22.820 13.175 -9.890) 28.145 9.535 ( 5.229 3.019 -2.783) 6.649 10.365 ( -21.707 -12.533 5.555) 25.674 10.676 ( -1.654 -0.955 2.623) 3.245 11.677 ( -4.098 -2.366 -1.398) 4.934 15.298 ( 1.691 0.976 3.356) 3.883 ======================= Grid point 629 (219/489) ======================= q-point: (-0.35 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -1.002 -0.578 -0.400) 1.224 2.851 ( -7.490 -4.324 -6.511) 10.826 3.358 ( -1.717 -0.991 -0.036) 1.983 3.467 ( 9.863 5.695 -0.019) 11.389 4.346 ( -3.641 -2.102 2.203) 4.747 5.883 ( -4.499 -2.598 1.213) 5.335 9.567 ( -2.115 -1.221 -1.473) 2.852 9.754 ( -12.468 -7.199 -0.124) 14.398 10.155 ( 17.637 10.183 -1.633) 20.430 10.650 ( -0.975 -0.563 1.568) 1.930 11.675 ( 3.786 2.186 -1.270) 4.552 15.333 ( 0.296 0.171 4.844) 4.856 ======================= Grid point 630 (220/489) ======================= q-point: (-0.29 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( -3.214 -1.856 -0.230) 3.718 2.640 ( -8.947 -5.165 -5.222) 11.576 3.276 ( -5.316 -3.069 0.089) 6.139 3.714 ( 10.932 6.312 0.068) 12.624 4.219 ( -7.752 -4.475 1.687) 9.108 5.691 ( -12.223 -7.057 0.947) 14.146 9.369 ( -17.081 -9.862 8.476) 21.467 9.424 ( -9.949 -5.744 0.278) 11.491 10.650 ( 0.884 0.510 0.020) 1.021 10.716 ( 27.578 15.922 -9.802) 33.319 11.817 ( 7.944 4.587 -0.465) 9.185 15.348 ( -0.181 -0.104 6.014) 6.018 ======================= Grid point 631 (221/489) ======================= q-point: (-0.24 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -10.471 -6.046 -2.599) 12.367 2.415 ( -5.628 -3.249 0.141) 6.500 3.115 ( -8.453 -4.880 0.181) 9.762 3.960 ( 10.079 5.819 -0.802) 11.665 3.998 ( -11.663 -6.734 1.444) 13.545 5.323 ( -19.594 -11.313 0.704) 22.637 9.058 ( -11.669 -6.737 9.559) 16.521 9.119 ( -16.038 -9.259 1.329) 18.567 10.694 ( 3.046 1.759 -0.950) 3.643 11.335 ( 28.443 16.421 -12.926) 35.295 12.010 ( 8.036 4.640 1.203) 9.357 15.370 ( 0.580 0.335 6.519) 6.553 ======================= Grid point 632 (222/489) ======================= q-point: (-0.18 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( -12.904 -7.450 0.825) 14.923 2.252 ( -8.704 -5.025 0.889) 10.090 2.893 ( -10.430 -6.022 0.125) 12.044 3.686 ( -15.475 -8.934 0.779) 17.886 4.166 ( 7.819 4.515 -2.091) 9.268 4.788 ( -26.477 -15.286 0.922) 30.586 8.711 ( -18.919 -10.923 1.560) 21.901 8.899 ( -4.079 -2.355 8.139) 9.404 10.783 ( 4.769 2.753 -1.232) 5.643 11.931 ( 25.295 14.604 -24.798) 38.315 12.195 ( 7.988 4.612 13.528) 16.373 15.415 ( 1.511 0.872 5.541) 5.809 ======================= Grid point 633 (223/489) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -15.717 -9.074 4.876) 18.792 2.006 ( -13.122 -7.576 2.303) 15.326 2.648 ( -10.224 -5.903 -0.290) 11.810 3.281 ( -19.681 -11.363 0.493) 22.731 4.081 ( -29.762 -17.183 -4.372) 34.644 4.335 ( 3.068 1.771 1.802) 3.975 8.275 ( -18.470 -10.664 1.403) 21.373 8.926 ( 4.674 2.699 5.425) 7.653 10.903 ( 5.789 3.342 -1.191) 6.790 12.135 ( 2.207 1.274 -19.359) 19.527 12.671 ( 25.437 14.686 9.964) 31.016 15.460 ( 0.891 0.515 2.680) 2.871 ======================= Grid point 638 (224/489) ======================= q-point: ( 0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.000 21.700 14.893) 26.319 0.933 ( -0.000 25.084 16.923) 30.259 1.388 ( -0.000 25.302 33.496) 41.978 2.138 ( 0.000 3.340 -3.511) 4.847 2.259 ( 0.000 14.302 -3.590) 14.746 4.670 ( -0.000 -18.394 3.429) 18.711 7.418 ( -0.000 6.070 2.226) 6.466 8.951 ( 0.000 68.860 -45.158) 82.347 11.122 ( 0.000 -3.808 -10.751) 11.405 11.235 ( 0.000 -3.197 -1.365) 3.476 14.569 ( -0.000 -19.980 6.618) 21.047 15.033 ( 0.000 11.787 -6.154) 13.297 ======================= Grid point 639 (225/489) ======================= q-point: ( 0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 6.322 22.651 10.910) 25.924 1.256 ( 4.642 14.413 22.875) 27.433 2.005 ( 23.060 30.526 17.935) 42.252 2.198 ( 3.083 5.499 -3.613) 7.266 2.520 ( 11.468 18.742 -3.922) 22.320 4.490 ( -4.060 -7.238 -2.986) 8.819 7.545 ( 4.985 9.050 2.276) 10.580 9.451 ( 8.662 6.921 -12.335) 16.586 11.021 ( -2.056 9.849 -25.435) 27.353 11.204 ( -0.496 0.682 -6.131) 6.189 14.296 ( -8.708 -21.472 11.424) 25.834 15.166 ( 3.869 7.666 -8.943) 12.398 ======================= Grid point 640 (226/489) ======================= q-point: ( 0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 8.037 13.024 17.629) 23.345 1.579 ( 9.364 18.329 9.081) 22.497 2.328 ( 5.456 8.300 -3.657) 10.584 2.715 ( 20.301 18.948 9.926) 29.490 3.031 ( 23.936 25.257 -3.053) 34.932 4.366 ( -2.652 -3.124 -6.118) 7.364 7.784 ( 9.396 11.862 2.060) 15.272 9.300 ( -13.329 -14.074 3.729) 19.740 11.043 ( 0.788 -2.897 -6.546) 7.201 11.276 ( 7.101 14.615 -29.711) 33.864 13.936 ( -12.808 -20.520 16.101) 29.058 15.226 ( 0.043 3.292 -10.448) 10.954 ======================= Grid point 641 (227/489) ======================= q-point: ( 0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 9.561 11.133 14.137) 20.377 1.941 ( 9.303 14.764 4.636) 18.056 2.532 ( 7.491 11.703 -2.977) 14.211 3.175 ( 14.445 11.013 3.087) 18.425 3.712 ( 23.260 20.119 -4.871) 31.137 4.331 ( 3.369 2.668 -2.105) 4.785 8.116 ( 12.751 14.108 1.531) 19.077 8.915 ( -14.549 -10.410 0.988) 17.917 10.971 ( -3.207 -2.817 -1.021) 4.389 11.431 ( 6.792 5.094 -27.733) 29.004 13.540 ( -15.710 -19.447 18.640) 31.184 15.187 ( -2.524 0.967 -10.347) 10.694 ======================= Grid point 642 (228/489) ======================= q-point: ( 0.41 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 10.980 9.952 10.027) 17.893 2.215 ( 6.230 10.779 2.599) 12.718 2.795 ( 8.116 14.009 -1.764) 16.286 3.452 ( 7.792 4.626 -4.669) 10.194 4.042 ( 6.118 4.411 -5.992) 9.633 4.664 ( 20.254 15.390 4.569) 25.845 8.501 ( 13.361 13.652 0.777) 19.118 8.656 ( -5.696 -1.611 -2.717) 6.513 10.886 ( -4.327 -0.391 -0.261) 4.353 11.423 ( 0.236 -3.268 -21.882) 22.126 13.102 ( -19.094 -18.390 16.953) 31.467 15.126 ( -1.104 0.010 -7.651) 7.730 ======================= Grid point 643 (229/489) ======================= q-point: ( 0.47 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 3.530 8.889 0.932) 9.610 2.473 ( 10.807 7.813 7.794) 15.446 3.063 ( 6.237 14.235 -0.901) 15.567 3.507 ( 0.349 -0.841 -12.781) 12.813 4.162 ( 5.085 2.873 2.508) 6.356 5.178 ( 18.985 12.776 3.228) 23.110 8.608 ( 4.373 2.988 -4.274) 6.805 8.917 ( 12.961 15.687 -0.853) 20.366 10.813 ( -4.301 0.862 0.234) 4.393 11.261 ( -5.776 -6.959 -15.413) 17.870 12.609 ( -21.921 -16.084 11.440) 29.497 15.117 ( 2.433 -0.805 -3.306) 4.183 ======================= Grid point 644 (230/489) ======================= q-point: ( 0.53 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 1.241 7.785 0.137) 7.884 2.739 ( 9.522 5.493 5.820) 12.438 3.280 ( 2.745 13.224 -0.576) 13.518 3.411 ( -3.483 -2.764 -14.106) 14.790 4.280 ( 4.298 1.414 4.685) 6.514 5.577 ( 13.813 7.739 2.372) 16.010 8.810 ( 13.680 8.007 -5.493) 16.776 9.265 ( 9.826 13.929 -2.017) 17.165 10.751 ( -3.459 -0.198 0.740) 3.543 10.999 ( -11.875 -8.003 -7.027) 15.951 12.124 ( -19.786 -10.204 4.693) 22.752 15.166 ( 4.867 -2.021 0.481) 5.291 ======================= Grid point 645 (231/489) ======================= q-point: ( 0.59 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -0.980 6.727 -0.294) 6.805 2.932 ( 5.374 1.817 1.851) 5.967 3.286 ( -1.778 -1.047 -10.329) 10.533 3.420 ( -1.401 11.857 -0.336) 11.944 4.357 ( 2.382 -0.742 3.945) 4.668 5.824 ( 7.526 2.692 1.886) 8.212 9.187 ( 20.262 10.312 -6.857) 23.747 9.509 ( 4.681 9.964 -3.084) 11.433 10.632 ( -18.474 -7.490 3.596) 20.256 10.702 ( -2.316 -2.328 -0.304) 3.298 11.795 ( -11.300 -1.294 -0.561) 11.388 15.234 ( 5.160 -3.333 2.954) 6.817 ======================= Grid point 646 (232/489) ======================= q-point: (-0.35 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -3.129 5.255 -0.491) 6.135 2.903 ( -5.179 -3.692 -5.827) 8.627 3.353 ( 8.305 4.418 -2.064) 9.631 3.469 ( -5.436 9.910 -0.169) 11.304 4.365 ( -0.700 -3.115 3.002) 4.383 5.901 ( 0.309 -1.960 1.564) 2.526 9.588 ( -1.634 1.193 -2.505) 3.220 9.625 ( 18.872 6.387 -8.675) 21.730 10.260 ( -16.579 1.017 7.408) 18.188 10.672 ( -0.217 -0.488 1.146) 1.264 11.691 ( -2.659 4.256 -2.023) 5.410 15.289 ( 4.095 -4.208 4.487) 7.389 ======================= Grid point 647 (233/489) ======================= q-point: (-0.29 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -5.039 2.861 -0.624) 5.828 2.726 ( -8.041 -3.492 -5.361) 10.276 3.428 ( -9.140 7.420 -0.123) 11.773 3.575 ( 11.050 5.341 -1.545) 12.370 4.286 ( -4.559 -5.202 2.738) 7.439 5.804 ( -7.454 -5.861 1.353) 9.579 9.441 ( -8.165 -11.641 1.566) 14.305 9.665 ( -12.400 -0.332 1.109) 12.454 10.403 ( 18.303 14.717 -4.444) 23.903 10.693 ( 0.288 4.826 0.101) 4.836 11.752 ( 4.164 5.220 -1.340) 6.810 15.322 ( 2.972 -4.165 5.457) 7.480 ======================= Grid point 648 (234/489) ======================= q-point: (-0.24 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -7.293 -3.318 -1.802) 8.213 2.544 ( -9.171 0.801 -1.448) 9.319 3.300 ( -12.495 4.838 0.025) 13.399 3.816 ( 11.177 4.793 -4.029) 12.812 4.120 ( -8.558 -6.596 3.977) 11.514 5.534 ( -15.392 -8.862 1.207) 17.802 9.158 ( -9.849 -12.247 5.923) 16.796 9.385 ( -18.069 -2.283 2.187) 18.343 10.698 ( 1.172 5.921 -0.116) 6.037 10.985 ( 24.495 15.740 -11.664) 31.365 11.911 ( 8.192 3.989 0.825) 9.149 15.350 ( 2.666 -3.103 5.750) 7.057 ======================= Grid point 649 (235/489) ======================= q-point: (-0.18 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( -10.926 -5.234 0.151) 12.116 2.392 ( -9.907 0.336 0.483) 9.924 3.095 ( -14.829 2.237 0.052) 14.997 3.848 ( -11.343 -6.838 -2.902) 13.558 4.056 ( 8.179 3.071 1.156) 8.813 5.099 ( -23.350 -11.063 1.279) 25.870 8.906 ( -10.760 -9.155 4.508) 14.829 9.036 ( -15.995 -4.322 4.204) 17.094 10.769 ( 0.967 6.074 -0.778) 6.200 11.549 ( 26.493 13.879 -19.471) 35.688 12.109 ( 9.601 2.590 8.005) 12.766 15.391 ( 2.920 -1.652 4.788) 5.847 ======================= Grid point 650 (236/489) ======================= q-point: (-0.12 0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -14.371 -5.961 3.942) 16.050 2.193 ( -12.691 -1.724 1.725) 12.923 2.841 ( -15.280 0.245 -0.271) 15.285 3.514 ( -17.332 -7.853 0.037) 19.028 4.206 ( 4.378 1.519 -5.890) 7.494 4.523 ( -28.249 -11.400 3.798) 30.699 8.532 ( -20.504 -7.533 1.687) 21.909 8.900 ( 0.350 -2.148 5.341) 5.768 10.856 ( 3.093 4.695 -1.156) 5.740 11.956 ( 13.752 5.724 -28.937) 32.546 12.430 ( 19.672 7.275 18.835) 28.190 15.439 ( 2.455 -0.897 2.142) 3.379 ======================= Grid point 656 (237/489) ======================= q-point: ( 0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.000 21.750 10.494) 24.149 1.447 ( -0.000 15.825 21.574) 26.756 2.202 ( -0.000 36.018 16.700) 39.701 2.213 ( 0.000 6.517 -4.403) 7.864 2.633 ( 0.000 25.301 -4.320) 25.667 4.435 ( 0.000 -6.999 -5.058) 8.636 7.616 ( -0.000 12.160 2.292) 12.374 9.410 ( 0.000 1.414 -3.737) 3.996 11.130 ( 0.000 15.766 -33.478) 37.004 11.136 ( 0.000 -5.598 -1.506) 5.797 14.158 ( -0.000 -25.555 12.684) 28.529 15.193 ( 0.000 8.607 -9.141) 12.556 ======================= Grid point 657 (238/489) ======================= q-point: ( 0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 2.751 17.252 14.029) 22.406 1.690 ( 3.569 16.928 14.297) 22.443 2.317 ( 4.546 9.093 -4.328) 11.050 2.688 ( 10.803 25.213 9.916) 29.167 3.004 ( 11.118 32.323 -3.159) 34.327 4.345 ( -1.331 -3.841 -6.851) 7.966 7.802 ( 4.853 14.973 2.280) 15.904 9.329 ( -4.914 -12.705 5.098) 14.545 11.013 ( -3.006 -1.246 -8.539) 9.138 11.241 ( 4.003 11.111 -28.373) 30.733 13.897 ( -4.838 -25.481 15.363) 30.145 15.243 ( -0.220 5.795 -9.958) 11.523 ======================= Grid point 658 (239/489) ======================= q-point: ( 0.35 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 4.231 12.992 15.457) 20.631 1.988 ( 6.265 16.388 6.714) 18.785 2.526 ( 7.531 13.481 -3.323) 15.796 3.089 ( 10.418 14.886 2.639) 18.360 3.579 ( 16.958 27.575 -3.450) 32.555 4.304 ( 1.500 2.172 -4.051) 4.835 8.094 ( 8.877 17.454 2.332) 19.720 9.046 ( -12.276 -12.139 3.321) 17.580 10.958 ( 0.328 -2.590 -3.040) 4.007 11.309 ( 3.723 5.106 -27.618) 28.332 13.579 ( -8.452 -24.418 17.128) 31.000 15.227 ( -3.117 3.020 -10.135) 11.025 ======================= Grid point 659 (240/489) ======================= q-point: ( 0.41 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 6.759 11.357 11.954) 17.820 2.253 ( 5.107 13.069 4.175) 14.639 2.816 ( 8.169 17.489 -1.932) 19.400 3.357 ( 7.379 6.577 -4.094) 10.699 3.966 ( 7.329 8.960 -6.654) 13.352 4.535 ( 14.375 16.889 3.581) 22.465 8.460 ( 10.641 18.189 2.370) 21.206 8.758 ( -9.525 -4.210 -0.602) 10.431 10.936 ( -1.045 0.041 -0.823) 1.331 11.293 ( 2.268 -3.467 -23.077) 23.446 13.214 ( -11.970 -23.027 16.312) 30.653 15.150 ( -4.013 0.927 -8.698) 9.624 ======================= Grid point 660 (241/489) ======================= q-point: ( 0.47 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 7.968 8.701 9.647) 15.240 2.459 ( 3.257 12.094 1.996) 12.683 3.127 ( 6.357 19.034 -1.040) 20.095 3.442 ( 2.024 -0.275 -11.620) 11.799 4.113 ( 4.973 4.467 0.654) 6.717 5.011 ( 17.072 15.689 3.093) 23.391 8.600 ( -1.513 2.137 -1.416) 2.976 8.890 ( 10.778 19.461 0.724) 22.258 10.903 ( -3.931 1.860 -2.247) 4.895 11.193 ( -0.167 -6.763 -15.803) 17.190 12.796 ( -15.764 -20.277 12.335) 28.493 15.076 ( -1.234 -1.370 -5.427) 5.732 ======================= Grid point 661 (242/489) ======================= q-point: ( 0.53 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 1.604 10.077 2.405) 10.484 2.667 ( 7.222 7.629 5.799) 11.999 3.369 ( -0.021 2.941 -10.234) 10.648 3.416 ( 1.492 13.479 -4.348) 14.241 4.236 ( 4.058 2.108 4.088) 6.134 5.421 ( 14.262 9.259 2.237) 17.151 8.691 ( 7.210 7.413 -2.371) 10.610 9.262 ( 9.067 18.079 0.088) 20.225 10.809 ( -4.595 -2.904 -5.995) 8.092 11.073 ( -5.341 -1.705 -5.314) 7.725 12.354 ( -17.337 -14.118 6.526) 23.292 15.055 ( 3.137 -4.168 -1.621) 5.463 ======================= Grid point 662 (243/489) ======================= q-point: ( 0.59 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -1.558 10.697 0.546) 10.823 2.858 ( 6.176 3.016 3.675) 7.794 3.277 ( -2.197 -1.522 -11.872) 12.169 3.607 ( -1.534 18.495 -0.401) 18.563 4.314 ( 2.621 -0.769 4.136) 4.957 5.702 ( 10.092 2.981 1.862) 10.686 8.968 ( 14.520 10.267 -3.160) 18.062 9.542 ( 4.423 13.082 -1.072) 13.851 10.681 ( -1.586 -6.212 -5.254) 8.289 10.903 ( -14.519 1.737 2.317) 14.805 11.997 ( -13.284 -3.789 0.805) 13.837 15.084 ( 6.274 -6.686 1.379) 9.272 ======================= Grid point 663 (244/489) ======================= q-point: ( 0.65 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -4.562 8.834 -0.644) 9.964 2.918 ( -0.975 -1.582 -2.750) 3.319 3.268 ( 4.378 3.369 -4.737) 7.277 3.718 ( -6.397 17.291 -0.129) 18.437 4.334 ( 0.880 -3.657 3.304) 5.007 5.841 ( 4.752 -2.195 1.662) 5.492 9.342 ( 17.122 7.842 -5.535) 19.629 9.648 ( -1.612 4.409 -0.277) 4.703 10.599 ( -7.545 -4.365 -0.114) 8.717 10.671 ( -9.248 7.365 3.478) 12.323 11.824 ( -7.379 4.084 -2.344) 8.753 15.137 ( 7.247 -8.066 3.281) 11.330 ======================= Grid point 664 (245/489) ======================= q-point: (-0.29 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -6.246 0.971 -2.655) 6.856 2.839 ( -6.842 3.992 -2.794) 8.400 3.429 ( 9.479 4.088 -2.651) 10.658 3.730 ( -11.000 15.367 0.206) 18.900 4.290 ( -1.554 -5.945 2.899) 6.794 5.832 ( -1.756 -5.819 1.502) 6.261 9.439 ( -3.862 -10.207 -2.514) 11.199 9.753 ( 4.350 6.648 0.194) 7.947 10.430 ( -5.049 8.006 -0.664) 9.489 10.737 ( 0.845 9.712 2.389) 10.037 11.781 ( -2.181 4.936 -2.921) 6.136 15.190 ( 6.781 -7.920 4.251) 11.259 ======================= Grid point 665 (246/489) ======================= q-point: (-0.24 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( -7.120 -2.888 -2.351) 8.035 2.743 ( -9.901 6.180 -0.993) 11.713 3.597 ( -3.497 6.842 -2.988) 8.244 3.685 ( -0.586 8.874 -1.361) 8.997 4.179 ( -4.649 -6.964 3.765) 9.181 5.672 ( -9.177 -7.718 1.365) 12.068 9.202 ( -8.104 -12.262 2.555) 14.918 9.672 ( -14.651 -0.651 1.494) 14.741 10.671 ( 16.015 13.949 -6.647) 22.254 10.856 ( -0.092 11.838 0.664) 11.856 11.830 ( 4.339 2.514 -1.247) 5.167 15.242 ( 6.038 -6.415 4.277) 9.793 ======================= Grid point 666 (247/489) ======================= q-point: (-0.18 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -8.751 -3.075 0.010) 9.275 2.605 ( -11.704 4.060 0.028) 12.388 3.436 ( -17.648 7.771 -0.224) 19.285 3.836 ( 6.072 0.837 -10.166) 11.871 4.035 ( -4.364 -4.495 8.242) 10.353 5.366 ( -17.302 -8.126 1.344) 19.163 8.964 ( -6.990 -9.873 3.920) 12.716 9.341 ( -20.338 -3.078 1.775) 20.646 10.880 ( -3.958 11.013 0.338) 11.708 11.185 ( 23.680 11.468 -13.978) 29.793 11.974 ( 9.673 0.918 4.384) 10.660 15.300 ( 5.544 -4.368 3.095) 7.706 ======================= Grid point 667 (248/489) ======================= q-point: (-0.12 0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -11.846 -2.948 2.998) 12.570 2.419 ( -12.908 1.424 1.184) 13.040 3.169 ( -19.327 4.087 -0.228) 19.755 3.701 ( -11.476 -5.250 -3.672) 13.144 4.102 ( 6.889 1.438 -0.676) 7.070 4.918 ( -25.456 -7.251 2.022) 26.545 8.774 ( -9.460 -6.150 2.857) 11.639 8.968 ( -15.264 -4.079 1.894) 15.912 10.904 ( -2.673 6.675 -0.521) 7.209 11.633 ( 20.658 7.531 -23.843) 32.434 12.230 ( 15.474 2.501 15.592) 22.109 15.361 ( 4.809 -2.930 0.533) 5.657 ======================= Grid point 674 (249/489) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -0.000 17.146 7.501) 18.715 1.862 ( -0.000 13.426 18.579) 22.922 2.352 ( 0.000 10.313 -4.789) 11.370 2.881 ( -0.000 23.628 6.100) 24.403 3.255 ( 0.000 36.465 -2.072) 36.524 4.303 ( 0.000 -1.805 -6.822) 7.057 7.929 ( -0.000 17.401 1.837) 17.498 9.268 ( -0.000 -12.065 6.703) 13.802 11.001 ( 0.000 -6.669 -1.296) 6.794 11.202 ( 0.000 9.707 -34.611) 35.947 13.720 ( -0.000 -26.515 16.228) 31.087 15.279 ( 0.000 5.981 -9.632) 11.337 ======================= Grid point 675 (250/489) ======================= q-point: ( 0.35 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 1.641 12.794 10.653) 16.729 2.074 ( 3.597 13.066 11.022) 17.469 2.518 ( 6.829 13.361 -3.661) 15.445 3.139 ( 3.594 17.240 0.561) 17.620 3.658 ( 6.541 29.112 -3.639) 30.059 4.305 ( 1.381 6.259 -2.989) 7.072 8.164 ( 5.111 19.373 1.719) 20.110 9.111 ( -6.796 -10.382 4.327) 13.142 10.916 ( -0.579 -4.262 -2.564) 5.007 11.202 ( 3.071 1.471 -27.918) 28.125 13.473 ( -3.463 -26.248 16.543) 31.219 15.286 ( -2.381 4.501 -9.349) 10.646 ======================= Grid point 676 (251/489) ======================= q-point: ( 0.41 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 3.597 10.894 10.706) 15.692 2.301 ( 5.234 10.940 6.300) 13.666 2.819 ( 10.653 16.579 -2.002) 19.809 3.324 ( 3.124 8.397 -6.032) 10.800 3.948 ( 4.532 11.733 -5.244) 13.627 4.533 ( 8.569 20.937 3.040) 22.826 8.496 ( 8.622 20.341 2.180) 22.200 8.885 ( -9.596 -4.283 0.084) 10.509 10.907 ( 2.998 -1.160 -0.962) 3.356 11.147 ( 1.627 -5.376 -22.460) 23.152 13.173 ( -6.543 -25.659 15.333) 30.599 15.226 ( -5.306 2.526 -8.586) 10.405 ======================= Grid point 677 (252/489) ======================= q-point: ( 0.47 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 5.146 8.744 10.236) 14.413 2.514 ( 5.205 10.705 3.246) 12.338 3.180 ( 10.113 18.723 -1.217) 21.314 3.375 ( 1.108 0.567 -11.880) 11.945 4.094 ( 3.648 6.808 0.282) 7.729 4.942 ( 11.585 19.564 2.748) 22.902 8.686 ( -5.133 3.040 -0.369) 5.977 8.922 ( 9.211 20.343 1.044) 22.356 10.942 ( -0.928 -1.457 -6.177) 6.414 11.053 ( 3.988 -5.011 -11.838) 13.459 12.826 ( -9.300 -23.942 12.429) 28.534 15.113 ( -5.871 0.007 -6.850) 9.021 ======================= Grid point 678 (253/489) ======================= q-point: ( 0.53 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 5.365 5.462 9.072) 11.871 2.718 ( 3.864 12.285 1.284) 12.942 3.326 ( -0.498 -2.285 -13.378) 13.581 3.522 ( 6.918 19.441 -1.078) 20.663 4.215 ( 3.042 4.050 3.469) 6.139 5.306 ( 10.844 11.781 1.798) 16.113 8.693 ( 1.101 7.894 -0.710) 8.002 9.300 ( 8.904 19.572 1.478) 21.553 10.786 ( -3.480 -9.665 -12.358) 16.070 11.125 ( 1.813 6.198 -0.987) 6.532 12.456 ( -11.025 -19.205 8.082) 23.573 14.998 ( -2.891 -3.486 -4.166) 6.154 ======================= Grid point 679 (254/489) ======================= q-point: ( 0.59 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 5.245 3.378 6.536) 9.035 2.881 ( -0.008 11.551 -0.241) 11.554 3.253 ( -0.602 -1.280 -11.619) 11.704 3.795 ( 2.490 18.737 -0.519) 18.909 4.295 ( 1.286 1.921 3.801) 4.449 5.563 ( 9.250 3.505 1.427) 9.994 8.876 ( 8.164 11.471 -0.164) 14.081 9.600 ( 4.757 14.034 0.803) 14.840 10.602 ( -1.599 -10.159 -9.141) 13.759 11.169 ( -7.334 9.708 1.806) 12.300 12.141 ( -9.303 -9.456 2.681) 13.533 14.928 ( 2.220 -7.386 -1.212) 7.807 ======================= Grid point 680 (255/489) ======================= q-point: ( 0.65 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 1.205 -1.271 -0.796) 1.924 2.941 ( -2.431 9.955 0.958) 10.292 3.243 ( 1.243 4.434 -6.692) 8.124 3.978 ( -1.548 15.709 0.626) 15.798 4.320 ( -1.540 1.324 2.540) 3.253 5.710 ( 7.087 -3.264 1.409) 7.928 9.174 ( 11.787 10.901 -0.963) 16.084 9.725 ( -1.595 4.939 0.656) 5.231 10.497 ( 2.780 -8.298 -5.500) 10.336 11.079 ( -15.412 13.318 4.486) 20.858 11.972 ( -6.208 1.006 -2.032) 6.610 14.920 ( 6.816 -10.075 1.185) 12.221 ======================= Grid point 681 (256/489) ======================= q-point: (-0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -5.193 -2.125 -4.063) 6.928 3.011 ( -3.494 9.380 1.037) 10.063 3.329 ( 4.774 4.993 -4.037) 8.001 4.062 ( -5.327 12.216 2.182) 13.504 4.281 ( -4.690 0.586 0.935) 4.818 5.754 ( 3.539 -7.269 1.404) 8.206 9.377 ( 1.625 -1.879 -2.624) 3.613 9.756 ( 2.854 6.713 2.979) 7.880 10.454 ( 2.026 -6.864 -4.558) 8.485 11.019 ( -11.370 20.933 5.478) 24.443 11.888 ( -5.694 3.167 -4.021) 7.657 14.964 ( 9.180 -10.354 2.466) 14.055 ======================= Grid point 682 (257/489) ======================= q-point: (-0.24 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -6.478 -1.857 -2.221) 7.096 2.991 ( -9.314 8.786 -0.276) 12.807 3.477 ( 8.691 3.011 -4.762) 10.358 4.048 ( -12.150 12.982 2.695) 17.984 4.178 ( -4.477 -4.671 1.109) 6.565 5.695 ( -1.902 -8.099 1.277) 8.416 9.229 ( -7.499 -9.211 0.516) 11.889 9.855 ( -4.545 2.376 2.060) 5.527 10.499 ( 11.160 3.466 -6.237) 13.246 11.107 ( -6.972 21.227 4.686) 22.829 11.813 ( -2.159 -0.504 -3.524) 4.163 15.040 ( 9.415 -8.520 2.405) 12.923 ======================= Grid point 683 (258/489) ======================= q-point: (-0.18 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -7.473 -1.152 0.300) 7.568 2.870 ( -12.612 5.672 -0.132) 13.830 3.638 ( 7.624 2.138 -7.576) 10.959 3.893 ( -18.012 9.206 -1.026) 20.254 4.074 ( -2.550 -5.483 6.297) 8.730 5.530 ( -9.182 -6.488 1.144) 11.300 9.003 ( -7.756 -8.381 1.734) 11.550 9.653 ( -16.797 -1.923 1.533) 16.976 10.840 ( 20.707 8.138 -9.321) 24.122 11.158 ( -9.929 14.412 1.785) 17.592 11.832 ( 6.975 -1.604 1.544) 7.322 15.130 ( 8.551 -5.931 1.038) 10.458 ======================= Grid point 684 (259/489) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -9.304 -0.452 2.851) 9.742 2.676 ( -13.894 2.148 0.726) 14.078 3.564 ( -19.945 4.064 -0.795) 20.370 3.748 ( -0.443 -1.815 -10.807) 10.968 4.039 ( 0.929 -0.611 7.264) 7.348 5.249 ( -17.676 -3.658 1.392) 18.104 8.817 ( -5.511 -5.913 0.798) 8.122 9.295 ( -21.512 -2.218 1.312) 21.665 11.075 ( -9.134 5.971 0.152) 10.914 11.265 ( 21.883 5.853 -16.134) 27.810 12.032 ( 13.638 1.115 10.616) 17.319 15.219 ( 7.190 -3.978 -1.393) 8.335 ======================= Grid point 692 (260/489) ======================= q-point: ( 0.35 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -0.000 10.322 3.849) 11.016 2.208 ( -0.000 10.592 15.116) 18.458 2.577 ( 0.000 14.175 -3.255) 14.544 3.271 ( 0.000 13.891 -4.027) 14.463 3.850 ( 0.000 19.644 -4.971) 20.263 4.403 ( -0.000 18.248 1.263) 18.291 8.321 ( -0.000 20.280 0.638) 20.290 9.094 ( -0.000 -7.087 2.329) 7.460 10.865 ( 0.000 -5.963 -0.511) 5.985 11.082 ( 0.000 -2.479 -25.782) 25.901 13.285 ( -0.000 -26.561 15.644) 30.826 15.330 ( 0.000 4.808 -8.417) 9.693 ======================= Grid point 693 (261/489) ======================= q-point: ( 0.41 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 3.763 8.508 3.155) 9.824 2.362 ( 1.669 8.595 12.531) 15.287 2.793 ( 8.493 14.851 -1.926) 17.216 3.357 ( 0.061 6.519 -10.167) 12.078 4.003 ( 1.461 11.379 -2.417) 11.724 4.678 ( 3.527 26.298 3.333) 26.742 8.579 ( 5.667 20.455 0.408) 21.229 8.988 ( -5.882 -2.468 -1.899) 6.655 10.830 ( 2.583 -3.242 -0.037) 4.146 10.986 ( 1.733 -7.350 -19.174) 20.607 13.036 ( -3.024 -26.586 13.709) 30.065 15.318 ( -3.903 3.969 -7.578) 9.403 ======================= Grid point 694 (262/489) ======================= q-point: ( 0.47 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 5.390 8.038 5.321) 11.044 2.520 ( 4.527 6.759 8.112) 11.488 3.133 ( 12.979 14.627 -1.660) 19.626 3.350 ( -0.620 1.576 -13.173) 13.281 4.129 ( 1.570 8.639 1.274) 8.873 5.023 ( 5.205 23.260 2.587) 23.975 8.814 ( -4.264 5.641 -1.996) 7.348 8.973 ( 7.182 17.861 -1.152) 19.286 10.856 ( 0.077 -9.577 -12.820) 16.003 10.911 ( 7.047 0.063 -0.790) 7.091 12.735 ( -5.298 -25.696 11.104) 28.490 15.226 ( -7.593 2.209 -6.682) 10.353 ======================= Grid point 695 (263/489) ======================= q-point: ( 0.53 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 3.717 4.624 9.292) 11.025 2.727 ( 8.031 8.819 2.096) 12.111 3.274 ( -0.559 -1.630 -13.370) 13.481 3.533 ( 12.250 16.492 -1.341) 20.588 4.232 ( 1.446 5.272 3.097) 6.283 5.315 ( 4.546 15.755 1.540) 16.470 8.788 ( -2.492 8.178 -2.228) 8.834 9.340 ( 9.783 19.195 0.692) 21.555 10.687 ( -2.274 -11.379 -11.130) 16.079 11.091 ( 9.165 5.572 0.545) 10.740 12.416 ( -6.276 -22.560 8.282) 24.838 15.069 ( -8.856 -0.588 -5.405) 10.392 ======================= Grid point 696 (264/489) ======================= q-point: ( 0.59 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 3.934 1.793 7.449) 8.613 2.958 ( 5.538 10.648 0.717) 12.023 3.206 ( -0.145 -1.426 -11.101) 11.193 3.877 ( 7.666 15.608 -1.177) 17.429 4.312 ( 2.134 3.621 3.510) 5.476 5.499 ( 3.295 6.597 0.909) 7.430 8.899 ( 3.533 12.217 0.042) 12.717 9.655 ( 5.872 14.102 0.772) 15.295 10.496 ( -2.537 -11.345 -8.645) 14.487 11.310 ( 4.890 10.677 0.576) 11.758 12.141 ( -4.487 -15.579 5.071) 16.987 14.892 ( -6.351 -4.456 -3.534) 8.525 ======================= Grid point 697 (265/489) ======================= q-point: ( 0.65 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 3.275 -0.562 2.850) 4.377 3.063 ( -2.312 5.224 -1.834) 6.000 3.246 ( 4.365 7.331 -4.957) 9.868 4.061 ( 1.391 4.936 0.983) 5.222 4.430 ( 1.299 12.018 1.439) 12.173 5.576 ( 3.447 -2.783 0.837) 4.509 9.135 ( 7.439 13.265 1.463) 15.279 9.804 ( -0.844 5.827 0.606) 5.919 10.344 ( 1.024 -10.375 -6.476) 12.273 11.430 ( -6.141 13.748 2.924) 15.338 12.011 ( 0.007 -4.403 0.119) 4.404 14.757 ( -0.378 -8.341 -1.273) 8.446 ======================= Grid point 698 (266/489) ======================= q-point: ( 0.71 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -1.861 -1.567 -2.400) 3.417 3.092 ( 1.543 3.773 1.484) 4.338 3.373 ( -0.241 11.140 -4.172) 11.898 4.076 ( 1.336 -5.349 3.293) 6.422 4.552 ( -7.109 18.990 -0.590) 20.286 5.587 ( 5.175 -9.626 1.060) 10.981 9.360 ( 2.753 6.483 0.717) 7.080 9.803 ( -1.100 4.013 2.225) 4.718 10.284 ( 4.855 -9.291 -5.608) 11.889 11.439 ( -10.258 17.241 5.307) 20.752 11.984 ( -3.038 1.437 -3.881) 5.134 14.716 ( 6.465 -9.927 0.474) 11.856 ======================= Grid point 699 (267/489) ======================= q-point: (-0.24 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -5.111 -0.506 -1.651) 5.395 3.167 ( 0.300 4.183 0.932) 4.296 3.430 ( -1.853 8.195 -5.061) 9.809 4.053 ( 2.920 -8.052 4.365) 9.613 4.527 ( -15.907 16.150 -0.965) 22.689 5.581 ( 4.974 -9.794 1.054) 11.035 9.301 ( -8.197 -3.811 1.005) 9.096 9.915 ( 2.150 5.670 2.486) 6.554 10.301 ( 9.185 -3.947 -5.733) 11.524 11.485 ( -7.905 19.719 6.057) 22.091 11.871 ( -7.716 -2.379 -4.989) 9.491 14.778 ( 10.493 -8.210 0.662) 13.339 ======================= Grid point 700 (268/489) ======================= q-point: (-0.18 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -6.503 0.613 0.734) 6.573 3.128 ( -9.826 3.765 -0.006) 10.523 3.498 ( 5.834 2.728 -6.668) 9.271 4.040 ( 1.480 -5.736 4.269) 7.302 4.329 ( -19.966 8.211 0.181) 21.589 5.556 ( -0.175 -5.075 0.809) 5.142 9.096 ( -9.893 -4.221 1.453) 10.853 9.871 ( -9.132 -1.408 0.739) 9.270 10.539 ( 17.796 4.241 -5.962) 19.241 11.530 ( -14.274 13.645 2.328) 19.883 11.719 ( 2.433 -4.594 0.188) 5.202 14.901 ( 10.820 -5.066 -0.690) 11.967 ======================= Grid point 701 (269/489) ======================= q-point: (-0.12 0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -7.703 1.526 3.072) 8.432 2.935 ( -13.650 0.171 0.348) 13.655 3.616 ( 7.124 1.243 -9.901) 12.260 3.929 ( -14.893 -2.943 -1.370) 15.243 4.100 ( -7.189 1.308 7.285) 10.318 5.459 ( -8.428 -0.423 0.859) 8.482 8.899 ( -8.945 -2.251 -0.048) 9.224 9.624 ( -16.993 -1.531 0.627) 17.074 10.901 ( 20.545 3.712 -9.631) 22.992 11.302 ( -12.966 -2.872 -0.766) 13.302 11.869 ( 9.478 3.832 7.844) 12.886 15.034 ( 9.059 -2.563 -2.809) 9.825 ======================= Grid point 710 (270/489) ======================= q-point: ( 0.41 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -0.000 6.519 1.047) 6.603 2.467 ( -0.000 6.607 12.799) 14.404 2.851 ( 0.000 13.697 -1.478) 13.777 3.364 ( 0.000 2.003 -14.123) 14.264 4.103 ( -0.000 11.132 0.775) 11.159 4.934 ( -0.000 27.320 3.098) 27.495 8.726 ( 0.000 19.419 -1.106) 19.450 9.015 ( 0.000 -0.019 -6.223) 6.223 10.768 ( -0.000 -3.455 0.798) 3.546 10.844 ( 0.000 -8.009 -12.516) 14.859 12.829 ( -0.000 -27.014 11.231) 29.256 15.378 ( 0.000 4.494 -6.462) 7.871 ======================= Grid point 711 (271/489) ======================= q-point: ( 0.47 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 5.379 5.903 0.658) 8.014 2.567 ( 0.951 4.434 11.704) 12.551 3.061 ( 8.944 12.203 -1.295) 15.185 3.322 ( -0.077 -0.251 -14.712) 14.714 4.215 ( -0.049 9.492 2.246) 9.754 5.218 ( 1.319 23.886 2.295) 24.032 8.923 ( -1.387 8.890 -4.918) 10.254 9.016 ( 4.630 12.517 -5.399) 14.397 10.729 ( -0.388 -8.479 -6.934) 10.960 10.797 ( 5.253 -1.007 1.631) 5.591 12.568 ( -2.261 -26.451 8.508) 27.877 15.357 ( -5.316 3.881 -5.664) 8.683 ======================= Grid point 712 (272/489) ======================= q-point: ( 0.53 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 7.211 5.278 2.593) 9.305 2.670 ( 4.335 3.024 8.461) 9.976 3.229 ( 0.287 -0.128 -12.207) 12.212 3.431 ( 14.053 11.273 -2.025) 18.129 4.295 ( -0.886 6.142 2.537) 6.704 5.454 ( 0.419 17.908 1.380) 17.966 8.905 ( -2.864 7.363 -6.648) 10.325 9.337 ( 11.276 16.647 -1.710) 20.179 10.599 ( -2.616 -8.481 -4.818) 10.099 10.946 ( 10.628 1.434 1.959) 10.901 12.287 ( -3.106 -23.491 6.317) 24.523 15.235 ( -10.143 2.259 -5.047) 11.553 ======================= Grid point 713 (273/489) ======================= q-point: ( 0.59 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 2.569 0.548 7.347) 7.803 2.891 ( 11.416 6.374 1.327) 13.142 3.178 ( -1.096 -0.195 -9.858) 9.921 3.819 ( 15.288 12.579 -1.440) 19.851 4.327 ( -0.553 2.153 2.684) 3.485 5.587 ( -2.206 10.554 0.632) 10.801 8.971 ( 1.733 11.049 -3.020) 11.585 9.666 ( 8.714 12.576 -1.228) 15.349 10.439 ( -4.831 -7.773 -3.561) 9.820 11.200 ( 14.888 3.584 0.427) 15.319 12.048 ( -2.288 -16.985 5.182) 17.905 15.029 ( -12.525 -0.245 -4.192) 13.210 ======================= Grid point 714 (274/489) ======================= q-point: ( 0.65 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 2.745 -1.065 4.179) 5.112 3.124 ( -1.020 3.042 -2.592) 4.125 3.173 ( 10.312 5.438 -2.558) 11.935 4.099 ( 1.493 6.599 -1.050) 6.847 4.420 ( 10.186 5.540 2.074) 11.779 5.589 ( -4.987 2.322 0.230) 5.506 9.160 ( 5.870 12.839 0.391) 14.123 9.853 ( 2.589 5.389 -1.402) 6.141 10.260 ( -5.101 -7.812 -2.733) 9.723 11.508 ( 12.250 7.560 -1.032) 14.432 11.919 ( 1.218 -8.437 4.406) 9.596 14.791 ( -10.797 -3.242 -2.751) 11.604 ======================= Grid point 715 (275/489) ======================= q-point: ( 0.71 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 1.641 -1.088 0.490) 2.029 3.106 ( -0.824 1.374 -0.947) 1.861 3.420 ( 7.914 9.349 -1.135) 12.301 4.053 ( -4.728 -3.991 0.904) 6.253 4.734 ( 9.500 14.899 0.159) 17.670 5.473 ( -4.951 -7.190 0.302) 8.735 9.389 ( 4.693 9.514 1.625) 10.732 9.880 ( -2.081 3.146 0.208) 3.778 10.116 ( 0.051 -8.818 -3.433) 9.463 11.693 ( -1.019 8.960 1.808) 9.197 11.959 ( 6.008 -0.762 -0.227) 6.061 14.605 ( -3.993 -5.281 -0.972) 6.692 ======================= Grid point 716 (276/489) ======================= q-point: (-0.24 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -1.868 0.506 -0.626) 2.034 3.130 ( 2.831 0.186 0.018) 2.837 3.596 ( -1.276 12.267 -2.918) 12.674 3.927 ( 0.050 -10.380 2.966) 10.795 4.935 ( -9.850 17.660 -0.687) 20.233 5.348 ( 6.942 -13.850 0.795) 15.513 9.425 ( -6.400 0.015 1.534) 6.581 9.937 ( 1.476 4.896 1.931) 5.466 10.087 ( 7.731 -4.137 -4.346) 9.787 11.723 ( -3.422 4.710 2.946) 6.524 11.992 ( -4.595 2.806 -2.228) 5.827 14.564 ( 5.125 -4.250 -0.190) 6.660 ======================= Grid point 717 (277/489) ======================= q-point: (-0.18 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -4.868 2.162 1.091) 5.437 3.185 ( 3.089 -1.605 -1.471) 3.779 3.557 ( -9.008 4.569 -3.812) 10.796 3.933 ( 6.313 -4.225 3.566) 8.392 4.730 ( -19.794 0.989 -0.057) 19.819 5.449 ( 8.489 -0.930 0.433) 8.550 9.265 ( -10.677 -0.379 2.173) 10.902 9.932 ( -0.888 -4.274 -1.776) 4.713 10.298 ( 12.940 5.900 -1.998) 14.361 11.652 ( -4.025 -10.547 -1.452) 11.382 11.892 ( -10.509 10.034 3.013) 14.839 14.676 ( 10.029 -1.003 -1.214) 10.152 ======================= Grid point 718 (278/489) ======================= q-point: (-0.12 0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -6.580 3.145 3.227) 7.975 3.117 ( -7.875 -4.381 -0.815) 9.049 3.499 ( 2.669 0.794 -6.657) 7.216 3.998 ( 0.765 -0.463 2.357) 2.521 4.359 ( -18.201 -5.540 1.656) 19.097 5.547 ( 0.126 3.978 0.431) 4.003 9.084 ( -11.600 2.372 0.841) 11.870 9.824 ( -7.329 -2.728 -1.390) 7.943 10.590 ( 15.758 3.639 -4.170) 16.702 11.380 ( -7.933 -16.864 -1.791) 18.722 11.891 ( -2.313 7.546 5.861) 9.831 14.852 ( 9.707 1.694 -2.924) 10.278 ======================= Grid point 728 (279/489) ======================= q-point: ( 0.47 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -0.000 4.582 0.088) 4.583 2.629 ( -0.000 2.321 11.111) 11.351 3.091 ( 0.000 10.523 -0.683) 10.545 3.266 ( 0.000 -1.325 -14.416) 14.477 4.318 ( -0.000 8.493 2.280) 8.794 5.445 ( -0.000 21.240 1.662) 21.305 8.999 ( 0.000 3.910 -12.633) 13.224 9.065 ( 0.000 14.956 -2.316) 15.135 10.661 ( -0.000 -5.784 0.342) 5.794 10.740 ( -0.000 -0.203 1.784) 1.796 12.340 ( -0.000 -26.256 5.622) 26.851 15.433 ( 0.000 4.314 -4.772) 6.432 ======================= Grid point 729 (280/489) ======================= q-point: ( 0.53 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 6.322 4.007 0.073) 7.485 2.681 ( 0.801 0.377 9.963) 10.002 3.194 ( 0.143 1.288 -9.831) 9.916 3.297 ( 9.922 7.018 -2.497) 12.407 4.387 ( -1.379 6.008 1.719) 6.400 5.638 ( -0.575 16.582 0.926) 16.618 8.986 ( -1.617 6.107 -10.582) 12.325 9.286 ( 9.420 12.428 -2.781) 15.841 10.589 ( -3.186 -3.463 2.217) 5.202 10.806 ( 6.052 -0.158 2.298) 6.476 12.094 ( -0.401 -23.418 3.505) 23.682 15.403 ( -6.528 3.619 -4.269) 8.599 ======================= Grid point 730 (281/489) ======================= q-point: ( 0.59 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 4.999 1.181 3.325) 6.119 2.750 ( 7.677 1.290 4.704) 9.095 3.170 ( -0.391 1.251 -7.614) 7.726 3.617 ( 17.399 7.597 -0.803) 19.002 4.396 ( -3.138 2.801 1.131) 4.356 5.750 ( -2.993 10.930 0.277) 11.336 9.030 ( 1.371 8.880 -5.878) 10.738 9.588 ( 11.865 9.233 -2.530) 15.245 10.494 ( -6.195 -0.812 2.024) 6.568 10.946 ( 12.081 -3.560 0.887) 12.626 11.906 ( 1.136 -15.865 3.012) 16.188 15.254 ( -12.281 2.247 -3.816) 13.055 ======================= Grid point 731 (282/489) ======================= q-point: ( 0.65 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 1.928 -1.847 4.408) 5.153 2.993 ( 13.726 3.139 0.286) 14.083 3.160 ( -1.007 2.376 -3.131) 4.058 4.017 ( 18.141 7.804 -1.437) 19.800 4.350 ( -2.453 -0.977 1.224) 2.910 5.746 ( -6.943 5.101 -0.208) 8.618 9.176 ( 5.206 10.029 -1.392) 11.385 9.806 ( 6.242 2.907 -2.920) 7.479 10.357 ( -9.703 -0.402 1.780) 9.873 11.197 ( 21.270 -3.320 -1.464) 21.577 11.839 ( 2.356 -6.362 3.836) 7.794 15.012 ( -15.429 0.754 -2.912) 15.720 ======================= Grid point 732 (283/489) ======================= q-point: ( 0.71 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 2.519 -1.759 1.983) 3.657 3.141 ( -1.076 1.932 -1.934) 2.938 3.285 ( 13.281 3.645 1.892) 13.901 4.151 ( -7.088 0.488 -1.815) 7.333 4.527 ( 20.968 2.845 1.060) 21.186 5.610 ( -11.436 0.123 -0.443) 11.445 9.370 ( 6.481 5.701 0.130) 8.633 9.877 ( 2.901 1.073 -2.828) 4.191 10.170 ( -10.569 -1.661 2.242) 10.931 11.569 ( 20.763 1.310 -3.721) 21.135 11.857 ( 2.733 -2.529 4.737) 6.025 14.744 ( -14.025 0.078 -1.353) 14.090 ======================= Grid point 733 (284/489) ======================= q-point: (-0.24 -0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 2.529 -0.633 0.247) 2.619 3.128 ( -1.668 1.409 0.187) 2.191 3.554 ( 12.816 2.500 1.675) 13.164 3.971 ( -10.530 -2.511 -1.770) 10.969 4.924 ( 20.438 0.125 0.474) 20.444 5.360 ( -15.743 -0.576 -0.517) 15.762 9.456 ( 2.066 -3.669 -1.494) 4.468 9.961 ( 0.783 -1.862 -0.878) 2.203 10.021 ( -2.661 7.559 2.822) 8.497 11.765 ( 0.118 -1.405 -1.482) 2.045 11.960 ( 9.998 -0.862 1.133) 10.099 14.561 ( -6.487 1.560 0.136) 6.673 ======================= Grid point 734 (285/489) ======================= q-point: (-0.18 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 0.378 1.530 0.255) 1.596 3.118 ( 0.261 -0.879 -0.190) 0.936 3.714 ( -2.589 -11.592 1.746) 12.005 3.812 ( 1.659 10.084 -1.692) 10.359 4.953 ( -9.938 -17.401 0.127) 20.039 5.326 ( 7.358 13.127 -0.158) 15.049 9.402 ( -2.922 -2.712 -0.020) 3.987 9.861 ( -1.813 -5.491 -0.705) 5.826 10.217 ( 6.800 10.839 1.008) 12.835 11.631 ( -6.639 -11.679 -0.740) 13.454 12.057 ( 0.069 1.381 0.490) 1.467 14.569 ( 3.277 4.817 0.032) 5.826 ======================= Grid point 735 (286/489) ======================= q-point: (-0.12 0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -3.686 3.773 2.364) 5.781 3.102 ( 0.600 -5.344 -2.134) 5.785 3.512 ( -5.882 -5.517 -1.838) 8.272 3.973 ( 4.385 4.889 1.183) 6.673 4.555 ( -14.953 -15.337 0.380) 21.423 5.560 ( 5.325 8.985 0.126) 10.446 9.316 ( -8.229 4.221 1.469) 9.364 9.800 ( 1.797 -6.120 -2.415) 6.820 10.438 ( 7.567 7.594 -0.422) 10.728 11.320 ( -9.061 -19.995 -0.751) 21.965 12.024 ( -4.335 0.517 2.091) 4.840 14.734 ( 7.655 7.158 -1.288) 10.559 ======================= Grid point 746 (287/489) ======================= q-point: ( 0.53 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -0.000 2.886 0.054) 2.887 2.699 ( -0.000 -1.256 8.731) 8.821 3.182 ( 0.000 0.641 -8.710) 8.733 3.261 ( 0.000 6.553 -0.280) 6.559 4.458 ( -0.000 4.474 0.772) 4.540 5.796 ( -0.000 12.934 0.304) 12.938 9.026 ( 0.000 6.158 -9.861) 11.626 9.296 ( 0.000 9.251 -1.626) 9.393 10.611 ( -0.000 -1.897 4.952) 5.303 10.766 ( -0.000 1.300 1.195) 1.766 11.872 ( -0.000 -21.217 1.425) 21.265 15.487 ( 0.000 3.515 -3.808) 5.182 ======================= Grid point 747 (288/489) ======================= q-point: ( 0.59 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 6.690 2.079 0.098) 7.006 2.710 ( 0.785 -2.365 7.051) 7.478 3.174 ( -0.096 2.546 -4.628) 5.284 3.417 ( 11.110 4.437 -0.265) 11.966 4.474 ( -2.243 2.243 -0.127) 3.174 5.890 ( -1.679 8.217 -0.258) 8.391 9.078 ( 0.792 8.066 -4.396) 9.220 9.462 ( 9.461 6.467 -1.135) 11.516 10.599 ( -1.689 1.327 3.461) 4.073 10.776 ( 1.219 -4.241 -0.516) 4.442 11.718 ( 3.219 -13.754 1.302) 14.185 15.444 ( -7.213 2.645 -3.537) 8.458 ======================= Grid point 748 (289/489) ======================= q-point: ( 0.65 0.53 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 2.020 -2.224 3.220) 4.404 2.789 ( 11.151 0.548 1.684) 11.291 3.196 ( -0.377 3.809 -0.821) 3.914 3.721 ( 19.029 2.919 -0.251) 19.254 4.423 ( -4.665 -0.161 -0.865) 4.748 5.893 ( -4.676 3.374 -0.706) 5.809 9.190 ( 2.898 8.163 0.796) 8.699 9.689 ( 9.616 3.016 -1.616) 10.206 10.553 ( -9.716 2.443 1.881) 10.194 10.804 ( 14.824 -7.485 -2.317) 16.767 11.718 ( 5.690 -4.772 2.282) 7.769 15.275 ( -13.167 1.804 -2.935) 13.610 ======================= Grid point 749 (290/489) ======================= q-point: (-0.29 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 2.054 -2.853 2.066) 4.077 3.023 ( 13.705 -0.096 -0.113) 13.706 3.228 ( -0.667 4.358 2.654) 5.146 4.109 ( 21.513 1.800 -1.019) 21.613 4.309 ( -5.542 -2.912 -0.856) 6.319 5.790 ( -8.526 -0.377 -0.943) 8.586 9.311 ( 3.540 1.461 1.744) 4.208 9.829 ( 4.792 3.241 -1.948) 6.104 10.364 ( -10.981 -1.434 1.896) 11.235 11.134 ( 25.289 0.423 -2.571) 25.423 11.786 ( 4.046 -2.280 2.667) 5.355 15.025 ( -16.041 1.874 -1.590) 16.228 ======================= Grid point 750 (291/489) ======================= q-point: (-0.24 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 3.335 -2.639 0.225) 4.259 3.177 ( 1.461 1.393 -0.168) 2.026 3.338 ( 10.250 0.600 4.591) 11.247 4.127 ( -9.124 -0.938 -3.299) 9.747 4.512 ( 22.569 -5.091 0.543) 23.142 5.600 ( -11.332 -0.653 -0.897) 11.386 9.328 ( 2.875 -8.020 -1.783) 8.704 9.940 ( 3.116 2.993 -0.160) 4.324 10.207 ( -8.168 5.376 4.175) 10.632 11.582 ( 22.768 2.725 -4.147) 23.302 11.795 ( 0.390 -6.328 2.895) 6.970 14.781 ( -13.798 3.824 0.326) 14.322 ======================= Grid point 751 (292/489) ======================= q-point: (-0.18 -0.47 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( 4.655 -2.142 -1.371) 5.305 3.169 ( -3.351 1.404 1.922) 4.110 3.520 ( 9.445 -5.940 4.009) 11.856 3.966 ( -7.315 3.077 -3.668) 8.742 4.729 ( 10.879 -16.206 0.013) 19.519 5.453 ( -5.323 6.771 -0.563) 8.631 9.288 ( 4.879 -9.620 -2.867) 11.161 9.914 ( -4.489 -3.050 1.945) 5.765 10.274 ( 0.743 13.615 3.227) 14.012 11.643 ( -7.391 -10.344 0.496) 12.723 11.919 ( 13.799 -1.695 -2.753) 14.172 14.663 ( -5.868 7.479 1.620) 9.644 ======================= Grid point 764 (293/489) ======================= q-point: ( 0.59 0.59 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( -0.000 1.070 0.329) 1.119 2.695 ( -0.000 -3.202 5.740) 6.573 3.199 ( 0.000 4.077 -1.036) 4.206 3.349 ( 0.000 2.321 -0.016) 2.321 4.508 ( 0.000 0.625 -1.143) 1.303 5.966 ( 0.000 4.025 -0.777) 4.099 9.150 ( -0.000 9.034 1.168) 9.109 9.427 ( -0.000 4.207 0.688) 4.263 10.572 ( 0.000 -4.821 -1.437) 5.031 10.783 ( 0.000 -0.178 -0.809) 0.828 11.573 ( -0.000 -7.465 1.542) 7.623 15.521 ( 0.000 1.937 -3.515) 4.013 ======================= Grid point 765 (294/489) ======================= q-point: (-0.35 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 6.251 -0.095 0.196) 6.255 2.683 ( 1.244 -3.622 4.320) 5.773 3.250 ( -0.188 5.630 2.310) 6.089 3.463 ( 11.321 0.253 0.086) 11.324 4.477 ( -2.600 -1.311 -2.051) 3.562 5.963 ( -2.026 -0.530 -1.209) 2.418 9.257 ( 0.078 8.080 6.639) 10.458 9.545 ( 8.696 2.165 1.170) 9.037 10.542 ( 4.912 -8.168 -6.171) 11.354 10.716 ( -5.354 1.261 -0.486) 5.522 11.597 ( 4.978 0.357 2.246) 5.473 15.462 ( -7.158 1.169 -3.280) 7.960 ======================= Grid point 766 (295/489) ======================= q-point: (-0.29 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 1.516 -3.805 1.331) 4.307 2.786 ( 11.638 -1.741 1.094) 11.818 3.311 ( -1.088 6.334 4.821) 8.034 3.730 ( 19.380 -1.907 0.186) 19.474 4.380 ( -5.030 -2.910 -2.965) 6.524 5.877 ( -4.532 -4.330 -1.463) 6.437 9.310 ( -1.587 -0.645 5.887) 6.131 9.738 ( 9.181 2.339 0.966) 9.524 10.464 ( -2.919 -5.941 -2.486) 7.071 10.802 ( 12.611 5.689 -2.017) 13.981 11.711 ( 4.383 2.369 1.800) 5.298 15.290 ( -12.432 1.221 -2.313) 12.704 ======================= Grid point 767 (296/489) ======================= q-point: (-0.24 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 2.532 -4.241 -0.184) 4.942 2.986 ( 13.170 -3.819 0.234) 13.714 3.367 ( -1.833 6.524 6.746) 9.562 4.064 ( 21.973 -6.193 0.592) 22.837 4.235 ( -6.540 -2.811 -4.288) 8.311 5.720 ( -6.493 -5.757 -1.361) 8.784 9.229 ( -2.004 -9.055 0.591) 9.293 9.874 ( 5.514 -2.890 0.092) 6.227 10.399 ( -4.407 7.576 4.353) 9.786 11.175 ( 23.070 3.305 -2.673) 23.459 11.773 ( -0.198 0.742 0.788) 1.100 15.067 ( -14.045 2.839 -0.458) 14.337 ======================= Grid point 768 (297/489) ======================= q-point: (-0.18 -0.41 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 4.253 -4.290 -1.811) 6.307 3.128 ( 7.979 -6.652 -0.004) 10.388 3.431 ( 0.049 5.285 7.860) 9.472 4.076 ( -5.587 -2.395 -3.398) 6.964 4.334 ( 16.749 -11.796 -1.144) 20.518 5.564 ( -4.579 -2.760 -0.920) 5.425 9.111 ( 1.566 -11.051 -1.735) 11.296 9.875 ( 2.535 -8.640 -0.279) 9.008 10.480 ( -3.836 16.444 7.045) 18.296 11.538 ( 15.104 -9.238 0.306) 17.708 11.739 ( -1.337 4.792 -3.863) 6.298 14.890 ( -10.587 6.078 1.704) 12.326 ======================= Grid point 782 (298/489) ======================= q-point: (-0.35 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -0.000 -0.946 0.518) 1.078 2.645 ( -0.000 -4.508 3.103) 5.473 3.330 ( -0.000 7.433 5.362) 9.165 3.353 ( -0.000 -1.964 0.164) 1.971 4.470 ( 0.000 -3.207 -3.046) 4.423 5.948 ( 0.000 -5.123 -1.635) 5.378 9.376 ( -0.000 7.020 12.373) 14.225 9.470 ( -0.000 -1.248 2.726) 2.998 10.415 ( 0.000 -4.111 -9.179) 10.058 10.745 ( 0.000 -2.236 -2.582) 3.415 11.601 ( -0.000 7.443 2.365) 7.809 15.521 ( 0.000 0.266 -3.561) 3.571 ======================= Grid point 783 (299/489) ======================= q-point: (-0.29 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 3.702 -2.957 -0.034) 4.738 2.619 ( 3.479 -4.539 2.049) 6.075 3.401 ( 4.012 1.123 4.097) 5.844 3.449 ( 6.440 3.092 3.784) 8.084 4.395 ( -2.406 -4.982 -4.069) 6.868 5.854 ( -1.564 -9.321 -1.923) 9.645 9.370 ( -4.602 -3.896 7.257) 9.435 9.575 ( 9.164 -2.837 5.420) 11.019 10.413 ( 2.411 4.482 -4.866) 7.041 10.730 ( 2.483 0.475 -2.180) 3.338 11.720 ( 1.786 9.753 0.979) 9.963 15.453 ( -6.388 0.056 -3.194) 7.142 ======================= Grid point 784 (300/489) ======================= q-point: (-0.24 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 1.510 -5.583 -0.646) 5.820 2.728 ( 10.954 -4.619 0.594) 11.903 3.491 ( -0.263 5.884 8.172) 10.074 3.655 ( 16.434 -4.829 1.334) 17.181 4.269 ( -3.935 -5.590 -5.242) 8.614 5.703 ( -2.468 -11.835 -1.871) 12.233 9.213 ( -6.022 -9.852 1.622) 11.660 9.676 ( 8.568 -11.301 1.144) 14.228 10.550 ( 1.048 14.909 5.721) 16.003 10.880 ( 13.366 2.744 -1.878) 13.774 11.829 ( -0.766 8.795 -0.938) 8.878 15.300 ( -10.358 1.164 -1.810) 10.579 ======================= Grid point 785 (301/489) ======================= q-point: (-0.18 -0.35 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 3.119 -6.014 -1.981) 7.059 2.869 ( 11.344 -7.789 -0.054) 13.761 3.559 ( -2.201 6.833 9.592) 11.981 3.880 ( 16.677 -12.218 1.681) 20.742 4.137 ( -2.774 -3.525 -7.076) 8.378 5.542 ( -1.305 -11.217 -1.414) 11.380 9.016 ( -3.592 -10.860 -0.901) 11.474 9.666 ( 6.716 -15.425 -1.200) 16.866 10.748 ( -2.413 19.931 10.724) 22.761 11.171 ( 17.470 -2.808 -1.110) 17.729 11.857 ( -4.589 8.463 -3.863) 10.373 15.133 ( -10.554 3.673 0.466) 11.184 ======================= Grid point 800 (302/489) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -0.000 -3.203 0.371) 3.224 2.548 ( -0.000 -6.348 0.678) 6.384 3.273 ( -0.000 -6.116 0.269) 6.122 3.549 ( -0.000 9.167 9.794) 13.415 4.340 ( 0.000 -7.099 -5.192) 8.795 5.741 ( 0.000 -14.166 -2.252) 14.344 9.388 ( -0.000 -9.076 2.544) 9.426 9.431 ( -0.000 -8.966 6.126) 10.859 10.495 ( -0.000 16.591 2.542) 16.785 10.687 ( 0.000 -1.244 -2.374) 2.680 11.831 ( 0.000 13.640 -0.966) 13.674 15.495 ( 0.000 -0.525 -3.608) 3.646 ======================= Grid point 801 (303/489) ======================= q-point: (-0.24 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.556 -6.906 -1.015) 7.003 2.529 ( 6.039 -5.361 0.425) 8.086 3.296 ( 10.216 -8.302 0.471) 13.172 3.662 ( -0.950 8.176 11.071) 13.795 4.230 ( -1.564 -7.939 -6.425) 10.332 5.568 ( -0.203 -17.784 -2.290) 17.932 9.216 ( -5.500 -11.754 -0.172) 12.979 9.403 ( 6.690 -14.935 0.890) 16.389 10.701 ( 3.269 9.594 1.602) 10.261 10.765 ( 4.244 14.153 8.550) 17.071 11.957 ( -1.190 13.644 -3.553) 14.149 15.433 ( -5.099 0.046 -3.029) 5.931 ======================= Grid point 802 (304/489) ======================= q-point: (-0.18 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 1.954 -8.036 -2.124) 8.539 2.606 ( 9.423 -7.627 -0.257) 12.126 3.432 ( 15.223 -11.072 0.773) 18.840 3.736 ( -1.880 3.995 11.551) 12.366 4.108 ( -1.667 -5.250 -7.531) 9.331 5.381 ( 1.382 -19.008 -1.928) 19.156 8.993 ( -5.828 -10.670 -2.190) 12.354 9.355 ( 7.585 -18.920 -1.127) 20.415 10.885 ( 11.407 2.022 -0.622) 11.601 11.045 ( -0.163 22.168 16.069) 27.380 12.027 ( -4.213 12.445 -6.736) 14.765 15.320 ( -7.629 1.874 -1.249) 7.955 ======================= Grid point 818 (305/489) ======================= q-point: (-0.24 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.000 -9.216 -1.503) 9.338 2.418 ( 0.000 -5.866 -0.224) 5.870 3.113 ( -0.000 -9.789 0.320) 9.794 3.778 ( -0.000 4.533 12.353) 13.158 4.139 ( 0.000 -7.241 -7.382) 10.340 5.354 ( 0.000 -22.689 -2.474) 22.823 9.128 ( -0.000 -17.340 0.407) 17.345 9.192 ( 0.000 -12.236 -4.163) 12.925 10.689 ( 0.000 2.417 -0.430) 2.455 11.020 ( -0.000 26.116 18.388) 31.940 12.100 ( 0.000 14.812 -6.791) 16.295 15.465 ( 0.000 -0.055 -3.466) 3.467 ======================= Grid point 819 (306/489) ======================= q-point: (-0.18 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.973 -10.733 -2.551) 11.075 2.397 ( 5.229 -7.912 -0.706) 9.510 3.094 ( 9.375 -11.751 0.316) 15.036 3.794 ( -0.844 -7.022 8.549) 11.095 4.081 ( -0.770 1.752 -3.846) 4.296 5.116 ( 1.961 -25.597 -2.335) 25.778 8.938 ( -1.137 -15.711 -2.636) 15.971 9.073 ( 2.049 -13.929 -3.523) 14.513 10.764 ( 4.945 3.434 0.292) 6.027 11.352 ( -0.029 25.473 22.664) 34.096 12.198 ( -2.715 14.291 -10.727) 18.074 15.425 ( -3.559 0.976 -2.662) 4.551 ======================= Grid point 836 (307/489) ======================= q-point: (-0.18 -0.18 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.000 -13.393 -3.483) 13.838 2.261 ( 0.000 -9.537 -1.241) 9.618 2.892 ( -0.000 -12.133 0.358) 12.139 3.683 ( -0.000 -16.645 1.644) 16.726 4.141 ( -0.000 6.676 3.210) 7.407 4.805 ( 0.000 -29.953 -2.707) 30.075 8.724 ( 0.000 -21.701 -1.214) 21.735 8.968 ( 0.000 -5.373 -6.874) 8.725 10.772 ( -0.000 5.355 0.990) 5.445 11.682 ( -0.000 23.436 28.233) 36.692 12.334 ( 0.000 15.729 -15.528) 22.103 15.455 ( 0.000 0.960 -3.108) 3.253 ======================= Grid point 927 (308/489) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.000 0.000 20.774) 20.774 0.604 ( -0.000 0.000 20.774) 20.774 1.309 ( -0.000 0.000 46.156) 46.156 2.093 ( 0.000 -0.000 -3.878) 3.878 2.093 ( 0.000 -0.000 -3.878) 3.878 5.162 ( 0.000 -0.000 -13.143) 13.143 7.365 ( -0.000 0.000 2.493) 2.493 7.365 ( -0.000 0.000 2.493) 2.493 11.265 ( 0.000 -0.000 -1.397) 1.397 11.265 ( 0.000 -0.000 -1.397) 1.397 14.779 ( -0.000 0.000 0.922) 0.922 14.888 ( 0.000 -0.000 -0.376) 0.376 ======================= Grid point 928 (309/489) ======================= q-point: ( 0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 14.594 8.426 15.010) 22.568 1.071 ( 18.350 10.594 20.017) 29.148 1.640 ( 19.958 11.523 33.955) 41.037 2.114 ( 2.864 1.653 -4.128) 5.289 2.242 ( 12.923 7.461 -4.272) 15.522 4.678 ( -16.830 -9.717 -1.429) 19.486 7.433 ( 5.081 2.934 2.540) 6.393 8.738 ( 67.162 38.776 -35.921) 85.467 11.000 ( -16.444 -9.494 -5.845) 19.868 11.233 ( -2.427 -1.401 -1.414) 3.139 14.626 ( -12.803 -7.392 5.402) 15.740 15.004 ( 8.421 4.862 -5.310) 11.079 ======================= Grid point 929 (310/489) ======================= q-point: ( 0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 18.583 10.729 9.483) 23.460 1.431 ( 9.221 5.324 24.506) 26.720 2.200 ( 5.694 3.287 -4.228) 7.817 2.369 ( 30.948 17.868 17.065) 39.601 2.634 ( 22.200 12.817 -4.878) 26.094 4.420 ( -6.482 -3.743 -6.237) 9.743 7.614 ( 9.799 5.658 2.275) 11.542 9.481 ( 0.565 0.326 -3.127) 3.195 10.837 ( 13.035 7.526 -32.353) 35.683 11.149 ( -4.275 -2.468 -1.358) 5.120 14.295 ( -17.236 -9.951 12.072) 23.277 15.135 ( 4.099 2.367 -9.637) 10.736 ======================= Grid point 930 (311/489) ======================= q-point: ( 0.35 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 16.448 9.496 6.420) 20.049 1.716 ( 10.156 5.864 19.158) 22.462 2.354 ( 8.674 5.008 -3.935) 10.761 2.967 ( 18.577 10.726 6.243) 22.341 3.297 ( 32.054 18.507 -2.083) 37.072 4.306 ( -1.203 -0.694 -6.572) 6.717 7.897 ( 13.863 8.004 1.703) 16.098 9.156 ( -19.908 -11.494 4.183) 23.365 11.035 ( -4.999 -2.886 -1.152) 5.886 11.166 ( 17.333 10.007 -31.756) 37.537 13.911 ( -19.563 -11.295 16.372) 27.898 15.143 ( -0.132 -0.076 -10.856) 10.858 ======================= Grid point 931 (312/489) ======================= q-point: ( 0.41 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 12.014 6.937 13.600) 19.428 2.040 ( 11.612 6.704 3.735) 13.919 2.580 ( 11.440 6.605 -2.740) 13.491 3.330 ( 11.360 6.559 -0.563) 13.130 3.883 ( 15.896 9.178 -7.528) 19.839 4.425 ( 15.380 8.880 2.223) 17.898 8.257 ( 16.538 9.548 0.859) 19.116 8.760 ( -13.199 -7.620 0.341) 15.245 10.919 ( -4.559 -2.632 -0.695) 5.310 11.349 ( 5.606 3.237 -24.446) 25.289 13.476 ( -22.374 -12.918 16.425) 30.614 15.099 ( -0.317 -0.183 -8.642) 8.650 ======================= Grid point 932 (313/489) ======================= q-point: ( 0.47 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 7.648 4.416 1.470) 8.953 2.346 ( 12.195 7.041 9.891) 17.208 2.848 ( 11.572 6.681 -1.349) 13.430 3.468 ( 2.182 1.260 -10.256) 10.561 4.093 ( 7.159 4.133 -0.876) 8.312 4.925 ( 22.354 12.906 3.759) 26.084 8.579 ( -1.819 -1.050 -2.427) 3.210 8.653 ( 17.016 9.824 -0.229) 19.650 10.825 ( -3.340 -1.929 0.102) 3.858 11.300 ( -3.404 -1.965 -18.743) 19.151 12.964 ( -25.334 -14.627 12.143) 31.674 15.099 ( 2.056 1.187 -3.803) 4.483 ======================= Grid point 933 (314/489) ======================= q-point: ( 0.53 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 5.182 2.992 0.234) 5.989 2.640 ( 10.646 6.146 7.340) 14.317 3.089 ( 9.175 5.297 -0.630) 10.613 3.413 ( -2.760 -1.594 -14.631) 14.974 4.247 ( 5.391 3.113 3.939) 7.367 5.403 ( 17.379 10.034 2.790) 20.261 8.659 ( 9.165 5.292 -4.151) 11.368 9.027 ( 14.988 8.653 -1.479) 17.370 10.765 ( -2.070 -1.195 1.217) 2.682 11.106 ( -8.877 -5.125 -12.368) 16.064 12.398 ( -24.831 -14.336 6.489) 29.398 15.165 ( 3.693 2.132 0.638) 4.312 ======================= Grid point 934 (315/489) ======================= q-point: ( 0.59 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 3.152 1.820 -0.336) 3.655 2.876 ( 7.702 4.447 4.367) 9.908 3.262 ( 5.777 3.335 -0.328) 6.679 3.285 ( -3.619 -2.089 -13.572) 14.201 4.359 ( 3.011 1.739 4.313) 5.540 5.738 ( 10.691 6.172 2.229) 12.544 8.957 ( 17.288 9.981 -6.106) 20.876 9.325 ( 10.898 6.292 -2.599) 12.850 10.731 ( -1.515 -0.874 2.356) 2.934 10.812 ( -14.574 -8.414 -3.806) 17.253 11.909 ( -16.846 -9.726 1.094) 19.483 15.258 ( 3.474 2.006 3.378) 5.244 ======================= Grid point 935 (316/489) ======================= q-point: ( 0.65 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 1.134 0.655 -0.555) 1.422 2.946 ( -3.099 -1.789 -4.777) 5.968 3.261 ( 5.883 3.397 -4.648) 8.231 3.353 ( 2.075 1.198 -0.182) 2.402 4.406 ( -0.093 -0.054 3.588) 3.589 5.907 ( 3.216 1.857 1.890) 4.167 9.393 ( 21.264 12.277 -9.798) 26.436 9.508 ( 5.418 3.128 -3.059) 6.964 10.415 ( -18.639 -10.761 5.372) 22.183 10.702 ( -1.770 -1.022 2.939) 3.579 11.661 ( -4.457 -2.573 -2.073) 5.548 15.336 ( 2.047 1.182 4.853) 5.398 ======================= Grid point 936 (317/489) ======================= q-point: (-0.29 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -0.942 -0.544 -0.546) 1.217 2.791 ( -7.191 -4.152 -6.672) 10.651 3.357 ( -1.669 -0.964 -0.092) 1.929 3.455 ( 10.196 5.887 -2.495) 12.035 4.371 ( -3.880 -2.240 3.324) 5.579 5.896 ( -4.643 -2.680 1.716) 5.629 9.549 ( -1.400 -0.808 -2.398) 2.893 9.714 ( -1.117 -0.645 -8.204) 8.305 10.172 ( 6.651 3.840 5.185) 9.266 10.669 ( -1.604 -0.926 2.432) 3.057 11.662 ( 4.280 2.471 -1.736) 5.239 15.381 ( 0.567 0.327 5.671) 5.708 ======================= Grid point 937 (318/489) ======================= q-point: (-0.24 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -3.083 -1.780 -0.324) 3.574 2.596 ( -8.051 -4.648 -4.255) 10.223 3.276 ( -5.271 -3.043 -0.040) 6.086 3.691 ( 10.719 6.189 -4.803) 13.276 4.247 ( -7.719 -4.457 4.257) 9.878 5.703 ( -12.367 -7.140 1.675) 14.378 9.421 ( -9.173 -5.296 -0.868) 10.627 9.433 ( -15.171 -8.759 5.271) 18.293 10.623 ( 25.331 14.625 -10.101) 30.945 10.654 ( 0.175 0.101 1.024) 1.044 11.817 ( 8.627 4.981 0.398) 9.970 15.403 ( -0.001 -0.000 5.970) 5.970 ======================= Grid point 938 (319/489) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -9.342 -5.394 -0.767) 10.815 2.416 ( -5.388 -3.111 0.193) 6.224 3.115 ( -8.433 -4.869 -0.072) 9.738 3.883 ( 4.480 2.587 -10.665) 11.854 4.067 ( -6.337 -3.659 8.426) 11.160 5.335 ( -19.718 -11.384 1.764) 22.837 9.128 ( -15.608 -9.011 0.500) 18.029 9.137 ( -11.417 -6.592 7.537) 15.186 10.688 ( 2.645 1.527 -0.284) 3.068 11.189 ( 26.329 15.201 -18.042) 35.353 12.043 ( 9.945 5.742 5.390) 12.686 15.425 ( 0.445 0.257 5.320) 5.345 ======================= Grid point 945 (320/489) ======================= q-point: ( 0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -0.000 18.922 15.227) 24.288 1.078 ( -0.000 27.473 15.366) 31.478 1.718 ( -0.000 15.264 37.711) 40.683 2.100 ( 0.000 3.307 -4.795) 5.825 2.222 ( 0.000 14.363 -4.494) 15.050 4.669 ( 0.000 -19.528 -3.698) 19.875 7.440 ( -0.000 5.995 2.629) 6.546 8.612 ( 0.000 73.086 -29.444) 78.794 11.045 ( 0.000 -13.663 -6.714) 15.224 11.221 ( 0.000 -3.211 -1.550) 3.565 14.623 ( -0.000 -16.250 5.258) 17.080 14.985 ( 0.000 8.792 -4.617) 9.930 ======================= Grid point 946 (321/489) ======================= q-point: ( 0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 5.210 21.758 11.434) 25.125 1.463 ( 6.251 13.769 21.870) 26.589 2.151 ( 5.357 7.994 -1.544) 9.746 2.200 ( 16.802 22.587 19.296) 34.129 2.479 ( 11.352 18.482 -5.040) 22.267 4.446 ( -4.917 -8.614 -6.714) 11.977 7.567 ( 4.918 8.979 2.545) 10.549 9.336 ( 17.204 22.372 -12.306) 30.788 10.798 ( -7.460 1.945 -21.837) 23.157 11.173 ( -1.368 -3.182 -2.277) 4.145 14.394 ( -7.310 -18.836 9.947) 22.520 15.087 ( 2.974 6.437 -8.340) 10.946 ======================= Grid point 947 (322/489) ======================= q-point: ( 0.35 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 9.735 18.303 8.914) 22.566 1.730 ( 4.909 9.927 20.865) 23.622 2.291 ( 5.738 8.522 -4.550) 11.237 2.802 ( 16.803 14.961 8.196) 23.945 3.007 ( 25.191 26.587 -1.364) 36.652 4.300 ( -2.352 -2.800 -8.225) 9.001 7.804 ( 9.152 11.879 2.278) 15.167 9.344 ( -13.231 -13.707 5.938) 19.955 10.885 ( 11.833 12.081 -27.841) 32.574 11.107 ( -2.202 1.324 -7.147) 7.595 14.074 ( -11.436 -19.082 14.185) 26.384 15.130 ( -0.310 3.131 -10.568) 11.026 ======================= Grid point 948 (323/489) ======================= q-point: ( 0.41 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 8.290 11.117 11.596) 18.077 1.997 ( 7.448 12.273 10.484) 17.776 2.503 ( 7.959 12.253 -3.398) 15.001 3.194 ( 12.729 8.989 0.934) 15.611 3.667 ( 20.640 17.966 -4.689) 27.763 4.310 ( 7.060 5.881 -2.394) 9.495 8.131 ( 12.296 14.249 1.816) 18.908 8.932 ( -16.248 -11.737 2.998) 20.267 10.959 ( -2.071 -2.438 -1.837) 3.689 11.186 ( 8.130 6.701 -25.463) 27.557 13.695 ( -15.370 -19.176 15.385) 28.994 15.095 ( -1.864 1.444 -9.669) 9.952 ======================= Grid point 949 (324/489) ======================= q-point: ( 0.47 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 5.786 10.277 3.265) 12.238 2.270 ( 8.981 8.962 11.763) 17.302 2.780 ( 8.520 14.470 -1.678) 16.876 3.395 ( 4.761 2.019 -7.819) 9.375 3.998 ( 8.903 6.671 -3.638) 11.705 4.701 ( 20.393 15.361 3.429) 25.760 8.511 ( 12.710 14.037 1.305) 18.981 8.643 ( -6.990 -2.668 -0.208) 7.485 10.881 ( -4.030 -0.415 -0.714) 4.114 11.231 ( 2.074 -1.727 -20.159) 20.339 13.236 ( -20.223 -18.982 12.369) 30.369 15.065 ( 0.554 0.605 -5.494) 5.555 ======================= Grid point 950 (325/489) ======================= q-point: ( 0.53 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 2.969 8.826 0.932) 9.359 2.551 ( 9.676 7.114 9.263) 15.167 3.056 ( 6.405 14.403 -0.698) 15.779 3.385 ( -0.943 -1.638 -13.835) 13.964 4.185 ( 6.717 3.997 2.445) 8.190 5.205 ( 18.754 12.449 2.794) 22.682 8.581 ( 3.189 2.752 -1.387) 4.434 8.912 ( 12.276 15.747 -0.130) 19.967 10.812 ( -3.608 0.164 -0.618) 3.665 11.126 ( -3.708 -4.596 -14.146) 15.329 12.695 ( -23.701 -17.038 7.297) 30.088 15.099 ( 4.102 -0.548 -0.647) 4.189 ======================= Grid point 951 (326/489) ======================= q-point: ( 0.59 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.906 7.842 0.042) 7.895 2.794 ( 8.372 4.776 6.382) 11.560 3.269 ( 0.649 6.199 -6.296) 8.859 3.288 ( -0.950 4.878 -8.528) 9.871 4.320 ( 4.463 1.474 4.050) 6.204 5.599 ( 13.692 7.532 2.267) 15.790 8.771 ( 12.409 8.046 -2.972) 15.085 9.250 ( 9.027 13.979 -1.300) 16.691 10.752 ( -2.087 -1.849 -0.732) 2.883 10.937 ( -9.359 -4.313 -6.245) 12.050 12.157 ( -21.638 -11.380 2.491) 24.574 15.180 ( 5.984 -2.070 2.667) 6.870 ======================= Grid point 952 (327/489) ======================= q-point: ( 0.65 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -1.143 6.774 -0.402) 6.882 2.938 ( 1.766 -0.226 -0.659) 1.898 3.198 ( 1.665 1.389 -8.531) 8.802 3.417 ( -1.335 11.864 -0.259) 11.942 4.393 ( 2.119 -0.954 3.770) 4.428 5.841 ( 7.430 2.554 1.989) 8.105 9.128 ( 18.456 10.479 -5.896) 22.027 9.484 ( 4.128 10.110 -2.323) 11.165 10.655 ( -15.784 -4.818 1.215) 16.548 10.705 ( -1.015 -3.612 1.348) 3.987 11.786 ( -12.371 -1.961 -1.390) 12.602 15.268 ( 5.821 -3.502 4.413) 8.100 ======================= Grid point 953 (328/489) ======================= q-point: (-0.29 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -3.152 5.227 -0.581) 6.131 2.846 ( -5.827 -3.409 -6.617) 9.453 3.330 ( 9.012 4.770 -2.805) 10.575 3.467 ( -5.371 9.945 -0.174) 11.304 4.394 ( -0.847 -3.280 3.439) 4.827 5.917 ( 0.230 -2.064 1.843) 2.777 9.518 ( 12.549 3.313 -10.641) 16.783 9.586 ( 3.551 7.310 -1.755) 8.314 10.331 ( -15.759 -0.207 8.103) 17.721 10.684 ( 0.508 -1.451 1.433) 2.102 11.670 ( -2.476 4.200 -2.543) 5.499 15.334 ( 4.528 -4.405 5.211) 8.189 ======================= Grid point 954 (329/489) ======================= q-point: (-0.24 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -4.903 2.379 -0.686) 5.493 2.680 ( -7.466 -2.133 -4.573) 9.011 3.425 ( -8.840 7.228 -0.352) 11.424 3.547 ( 10.294 5.356 -4.487) 12.441 4.317 ( -4.360 -5.203 4.024) 7.892 5.819 ( -7.510 -5.970 1.821) 9.765 9.444 ( -5.757 -9.642 -1.028) 11.277 9.661 ( -9.489 1.233 -2.279) 9.836 10.375 ( 13.191 12.718 -1.419) 18.378 10.698 ( -0.605 3.694 1.046) 3.886 11.741 ( 5.101 5.275 -1.208) 7.437 15.372 ( 3.282 -4.449 5.366) 7.704 ======================= Grid point 955 (330/489) ======================= q-point: (-0.18 0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -7.044 -3.604 -0.818) 7.955 2.534 ( -8.275 2.051 -0.732) 8.557 3.299 ( -12.405 4.815 -0.218) 13.309 3.755 ( 9.424 4.003 -8.873) 13.549 4.170 ( -7.204 -5.935 6.409) 11.322 5.548 ( -15.420 -8.994 1.908) 17.953 9.201 ( -8.600 -11.762 3.225) 14.923 9.401 ( -17.415 -2.165 1.100) 17.584 10.700 ( 1.441 6.005 0.485) 6.194 10.870 ( 20.402 14.783 -12.924) 28.316 11.928 ( 10.051 4.600 2.706) 11.380 15.398 ( 2.768 -3.646 4.674) 6.542 ======================= Grid point 963 (331/489) ======================= q-point: ( 0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.000 20.130 10.760) 22.826 1.635 ( -0.000 16.755 19.628) 25.806 2.167 ( 0.000 6.540 -5.737) 8.699 2.378 ( -0.000 29.061 21.363) 36.068 2.589 ( 0.000 25.555 -5.392) 26.118 4.375 ( 0.000 -7.955 -8.279) 11.481 7.637 ( -0.000 11.984 2.373) 12.217 9.381 ( 0.000 13.563 -2.448) 13.782 10.842 ( 0.000 7.165 -29.149) 30.016 11.122 ( 0.000 -5.555 -1.470) 5.746 14.269 ( -0.000 -22.906 11.543) 25.650 15.111 ( 0.000 7.519 -8.855) 11.617 ======================= Grid point 964 (332/489) ======================= q-point: ( 0.35 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 4.365 18.693 9.249) 21.308 1.855 ( 1.198 12.533 19.392) 23.120 2.272 ( 5.003 9.399 -5.427) 11.951 2.774 ( 8.412 19.536 7.699) 22.621 2.985 ( 11.881 34.000 0.015) 36.016 4.273 ( -1.137 -3.289 -8.908) 9.564 7.823 ( 4.959 14.806 2.212) 15.770 9.385 ( -4.866 -11.432 7.361) 14.441 10.835 ( 0.103 13.202 -28.778) 31.662 11.088 ( 1.800 -2.389 -6.556) 7.206 14.031 ( -4.405 -23.784 13.987) 27.942 15.150 ( -0.515 5.632 -10.243) 11.700 ======================= Grid point 965 (333/489) ======================= q-point: ( 0.41 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 5.188 12.987 10.393) 17.424 2.070 ( 3.578 13.267 12.842) 18.807 2.493 ( 8.065 14.214 -3.744) 16.766 3.104 ( 9.231 12.317 0.316) 15.395 3.552 ( 15.236 25.223 -2.409) 29.566 4.266 ( 3.691 5.671 -4.406) 8.074 8.115 ( 8.912 17.457 2.216) 19.726 9.081 ( -13.739 -13.846 4.406) 19.997 10.909 ( 3.887 2.224 -9.625) 10.616 11.090 ( 2.332 2.861 -18.305) 18.674 13.725 ( -8.268 -23.931 14.833) 29.344 15.133 ( -2.951 3.529 -10.186) 11.176 ======================= Grid point 966 (334/489) ======================= q-point: ( 0.47 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 5.967 10.580 9.671) 15.527 2.300 ( 4.054 11.811 7.594) 14.615 2.799 ( 8.574 18.048 -1.810) 20.063 3.307 ( 5.341 3.434 -6.952) 9.416 3.916 ( 8.438 10.692 -4.296) 14.282 4.562 ( 15.195 17.760 2.464) 23.503 8.482 ( 10.575 18.599 2.339) 21.523 8.759 ( -10.559 -5.660 0.877) 12.012 10.928 ( -0.965 0.116 -0.959) 1.366 11.094 ( 3.700 -1.715 -20.176) 20.584 13.347 ( -12.703 -23.427 12.769) 29.551 15.075 ( -2.900 1.499 -7.579) 8.252 ======================= Grid point 967 (335/489) ======================= q-point: ( 0.53 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 2.846 11.925 1.795) 12.391 2.512 ( 6.738 7.843 10.959) 15.067 3.119 ( 6.536 19.104 -0.746) 20.205 3.330 ( 0.776 -1.477 -12.836) 12.944 4.121 ( 6.590 6.123 1.010) 9.052 5.036 ( 16.938 15.295 2.407) 22.948 8.596 ( -2.308 1.554 0.530) 2.833 8.899 ( 10.527 19.831 1.253) 22.487 10.870 ( -3.898 -1.530 -5.157) 6.644 11.069 ( 1.443 -1.821 -10.994) 11.237 12.891 ( -17.355 -20.951 8.312) 28.447 15.036 ( 0.521 -1.279 -3.301) 3.578 ======================= Grid point 968 (336/489) ======================= q-point: ( 0.59 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 0.277 11.478 0.879) 11.515 2.733 ( 6.949 5.435 8.135) 12.000 3.251 ( -1.444 -2.069 -13.839) 14.067 3.402 ( 2.948 18.923 -0.624) 19.162 4.269 ( 4.549 2.462 3.247) 6.107 5.440 ( 14.268 8.964 1.902) 16.957 8.680 ( 6.410 7.515 -0.071) 9.878 9.266 ( 8.307 18.328 0.713) 20.136 10.746 ( -2.847 -6.203 -7.501) 10.142 11.036 ( -4.449 3.249 -3.075) 6.309 12.399 ( -19.140 -14.962 3.435) 24.535 15.050 ( 4.738 -4.522 0.540) 6.572 ======================= Grid point 969 (337/489) ======================= q-point: ( 0.65 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( -2.157 10.961 0.048) 11.172 2.891 ( 4.181 1.120 3.277) 5.429 3.172 ( -0.568 0.486 -10.812) 10.838 3.604 ( -1.491 18.571 -0.176) 18.631 4.349 ( 2.602 -0.944 3.420) 4.399 5.718 ( 10.141 2.790 1.756) 10.663 8.946 ( 13.021 10.624 -1.643) 16.885 9.537 ( 3.622 13.481 -0.138) 13.960 10.634 ( 0.570 -6.831 -5.118) 8.555 10.923 ( -13.195 3.796 1.946) 13.868 11.997 ( -14.648 -4.733 -0.786) 15.414 15.104 ( 7.377 -7.184 2.920) 10.703 ======================= Grid point 970 (338/489) ======================= q-point: ( 0.71 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( -4.670 7.712 -1.077) 9.080 2.886 ( -3.155 -0.541 -4.127) 5.223 3.230 ( 6.150 4.097 -3.402) 8.135 3.717 ( -6.430 17.509 -0.035) 18.653 4.364 ( 0.861 -3.966 3.126) 5.123 5.856 ( 4.771 -2.332 1.729) 5.585 9.291 ( 14.502 8.261 -5.600) 17.604 9.651 ( -1.050 6.287 0.743) 6.417 10.592 ( -0.564 -7.362 -1.074) 7.461 10.707 ( -13.866 9.572 4.244) 17.375 11.799 ( -7.632 3.578 -2.990) 8.944 15.171 ( 7.936 -8.577 3.999) 12.351 ======================= Grid point 971 (339/489) ======================= q-point: (-0.24 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( -5.773 -0.543 -2.790) 6.434 2.816 ( -7.160 6.599 -2.197) 9.982 3.397 ( 8.987 3.712 -4.115) 10.558 3.732 ( -11.030 15.674 0.072) 19.166 4.319 ( -1.262 -6.146 3.460) 7.165 5.846 ( -1.752 -5.960 1.725) 6.447 9.408 ( -1.233 -7.385 -4.289) 8.628 9.751 ( 2.521 8.173 -0.434) 8.564 10.431 ( -5.436 2.800 0.808) 6.168 10.760 ( -0.240 11.585 2.464) 11.847 11.754 ( -1.582 4.637 -2.824) 5.656 15.229 ( 7.205 -8.535 4.094) 11.896 ======================= Grid point 972 (340/489) ======================= q-point: (-0.18 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( -6.493 -2.305 -1.013) 6.965 2.735 ( -9.698 6.748 -0.818) 11.843 3.556 ( 2.626 4.365 -5.939) 7.824 3.669 ( -8.038 10.922 -1.749) 13.674 4.221 ( -3.778 -6.716 5.137) 9.261 5.687 ( -9.150 -7.904 1.748) 12.217 9.217 ( -6.626 -11.529 0.666) 13.314 9.680 ( -14.378 0.271 0.222) 14.382 10.608 ( 15.154 11.659 -6.908) 20.330 10.865 ( -3.007 12.763 1.303) 13.177 11.824 ( 6.064 2.837 0.008) 6.694 15.277 ( 6.236 -7.324 3.234) 10.148 ======================= Grid point 981 (341/489) ======================= q-point: ( 0.35 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -0.000 15.595 7.680) 17.384 2.032 ( -0.000 11.913 18.284) 21.823 2.303 ( 0.000 10.980 -6.010) 12.517 2.927 ( -0.000 19.454 3.248) 19.723 3.248 ( -0.000 35.715 0.959) 35.728 4.235 ( 0.000 0.225 -8.009) 8.012 7.944 ( -0.000 17.038 1.546) 17.108 9.335 ( -0.000 -13.237 7.869) 15.400 10.895 ( 0.000 12.384 -32.313) 34.605 10.990 ( 0.000 -6.487 -1.007) 6.565 13.862 ( -0.000 -25.435 14.865) 29.460 15.188 ( 0.000 6.253 -10.255) 12.011 ======================= Grid point 982 (342/489) ======================= q-point: ( 0.41 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 3.742 11.472 6.075) 13.510 2.201 ( 0.754 11.196 15.094) 18.808 2.482 ( 7.447 14.411 -3.919) 16.688 3.132 ( 2.942 13.725 -2.120) 14.196 3.631 ( 5.704 26.330 -2.265) 27.036 4.278 ( 2.453 10.945 -2.863) 11.576 8.178 ( 5.469 18.999 1.280) 19.812 9.148 ( -7.710 -12.916 3.596) 15.466 10.866 ( -0.248 2.129 -11.448) 11.647 10.993 ( 4.011 -1.343 -14.305) 14.918 13.616 ( -3.535 -26.188 14.737) 30.257 15.197 ( -2.417 5.270 -9.994) 11.554 ======================= Grid point 983 (343/489) ======================= q-point: ( 0.47 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 5.421 9.564 5.669) 12.369 2.381 ( 2.658 10.149 11.130) 15.295 2.801 ( 11.000 17.136 -1.883) 20.450 3.258 ( 2.175 4.749 -8.417) 9.906 3.909 ( 4.954 13.572 -3.195) 14.796 4.557 ( 8.968 22.088 2.247) 23.945 8.514 ( 9.182 20.205 1.643) 22.254 8.883 ( -9.989 -6.307 -0.526) 11.825 10.895 ( 3.980 0.620 -2.398) 4.688 10.966 ( 1.355 -4.385 -15.998) 16.644 13.302 ( -6.963 -26.360 12.871) 30.150 15.146 ( -4.929 3.375 -8.599) 10.470 ======================= Grid point 984 (344/489) ======================= q-point: ( 0.53 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 6.289 9.255 6.200) 12.793 2.557 ( 3.137 9.023 7.686) 12.261 3.169 ( 10.385 18.643 -1.085) 21.368 3.262 ( 0.441 -0.818 -12.576) 12.610 4.098 ( 4.634 8.673 0.512) 9.846 4.964 ( 11.384 19.223 2.066) 22.437 8.682 ( -5.218 1.610 -0.293) 5.468 8.932 ( 9.989 20.701 1.066) 23.010 10.850 ( -1.980 -7.691 -11.750) 14.183 10.998 ( 5.288 3.290 -2.319) 6.645 12.926 ( -10.325 -24.765 9.422) 28.438 15.054 ( -4.818 0.403 -5.868) 7.603 ======================= Grid point 985 (345/489) ======================= q-point: ( 0.59 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 4.426 4.769 10.145) 12.052 2.728 ( 3.469 12.004 0.940) 12.531 3.203 ( -0.423 -2.043 -13.426) 13.587 3.514 ( 7.074 19.409 -0.678) 20.669 4.243 ( 3.498 4.671 2.492) 6.345 5.321 ( 10.815 11.460 1.364) 15.816 8.692 ( 1.455 7.719 0.415) 7.866 9.314 ( 8.839 19.493 1.485) 21.455 10.683 ( -2.666 -9.677 -10.083) 14.227 11.118 ( 1.879 7.883 -0.648) 8.130 12.517 ( -12.674 -19.765 5.097) 24.027 14.967 ( -1.379 -3.725 -2.506) 4.697 ======================= Grid point 986 (346/489) ======================= q-point: ( 0.65 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 3.705 2.626 6.822) 8.195 2.877 ( -0.637 10.481 -0.713) 10.525 3.150 ( 0.365 0.780 -10.703) 10.738 3.792 ( 2.773 18.846 -0.125) 19.049 4.325 ( 1.292 1.750 2.653) 3.431 5.575 ( 9.399 3.279 1.191) 10.026 8.879 ( 7.744 11.768 0.929) 14.118 9.610 ( 4.417 13.980 1.261) 14.716 10.525 ( -0.392 -9.638 -7.453) 12.190 11.183 ( -6.358 10.763 1.401) 12.579 12.155 ( -11.246 -10.096 0.440) 15.119 14.924 ( 3.658 -7.979 0.410) 8.788 ======================= Grid point 987 (347/489) ======================= q-point: ( 0.71 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -2.506 -1.344 -3.529) 4.532 2.959 ( -0.884 9.493 2.424) 9.838 3.189 ( 2.472 5.513 -5.051) 7.875 3.984 ( -1.556 16.845 0.856) 16.939 4.340 ( -1.407 0.099 1.815) 2.298 5.723 ( 7.242 -3.419 1.320) 8.117 9.166 ( 10.147 11.451 -0.639) 15.313 9.736 ( -1.300 5.489 1.684) 5.887 10.450 ( 3.963 -8.464 -4.814) 10.513 11.118 ( -14.724 14.041 4.043) 20.743 11.947 ( -7.107 0.376 -3.262) 7.828 14.935 ( 7.808 -10.738 2.145) 13.449 ======================= Grid point 988 (348/489) ======================= q-point: (-0.24 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -4.886 -1.478 -3.628) 6.263 3.018 ( -4.853 10.130 0.570) 11.247 3.292 ( 5.185 4.256 -4.045) 7.833 4.081 ( -6.377 15.149 1.954) 16.552 4.290 ( -3.426 -2.264 1.082) 4.247 5.767 ( 3.617 -7.420 1.431) 8.377 9.353 ( 1.206 0.302 -2.618) 2.898 9.783 ( 2.463 6.719 2.913) 7.727 10.416 ( 2.541 -8.171 -3.740) 9.339 11.066 ( -11.593 21.351 4.761) 24.757 11.850 ( -5.505 2.671 -4.083) 7.356 14.987 ( 9.695 -11.129 2.476) 14.966 ======================= Grid point 989 (349/489) ======================= q-point: (-0.18 0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -5.834 -0.904 -1.075) 6.001 2.988 ( -9.665 9.146 -0.335) 13.311 3.427 ( 7.874 2.427 -6.191) 10.306 4.064 ( -15.055 16.041 0.753) 22.013 4.199 ( -1.047 -7.500 3.331) 8.272 5.708 ( -1.858 -8.318 1.417) 8.640 9.231 ( -6.907 -7.975 0.052) 10.550 9.870 ( -4.940 2.791 1.058) 5.772 10.445 ( 10.097 2.154 -5.610) 11.750 11.146 ( -7.923 21.585 3.751) 23.297 11.786 ( -0.812 -0.447 -2.258) 2.441 15.058 ( 9.587 -9.587 1.517) 13.643 ======================= Grid point 999 (350/489) ======================= q-point: ( 0.41 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( -0.000 8.683 3.206) 9.256 2.347 ( -0.000 9.347 14.987) 17.663 2.547 ( 0.000 15.420 -3.340) 15.777 3.220 ( 0.000 9.429 -6.984) 11.734 3.814 ( 0.000 19.262 -3.037) 19.500 4.414 ( -0.000 21.802 1.160) 21.833 8.324 ( -0.000 19.703 0.098) 19.703 9.104 ( 0.000 -10.282 -0.474) 10.293 10.862 ( 0.000 -5.581 -0.052) 5.581 10.875 ( 0.000 1.543 -19.276) 19.338 13.420 ( -0.000 -27.352 13.883) 30.673 15.248 ( 0.000 5.867 -9.345) 11.034 ======================= Grid point 1000 (351/489) ======================= q-point: ( 0.47 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 4.506 7.356 1.902) 8.833 2.481 ( 0.717 7.999 13.147) 15.406 2.776 ( 8.711 15.403 -1.689) 17.776 3.255 ( 0.007 3.142 -11.762) 12.175 3.987 ( 1.598 13.817 -1.184) 13.960 4.705 ( 3.478 26.580 2.657) 26.938 8.580 ( 6.242 19.903 -0.205) 20.859 8.957 ( -5.618 -5.185 -4.829) 9.043 10.826 ( 2.251 -1.001 -3.708) 4.452 10.847 ( 1.908 -5.534 -8.205) 10.079 13.152 ( -3.159 -27.978 11.856) 30.550 15.245 ( -3.881 5.090 -8.334) 10.509 ======================= Grid point 1001 (352/489) ======================= q-point: ( 0.53 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 7.620 7.524 2.062) 10.905 2.615 ( 2.076 6.202 11.559) 13.281 3.115 ( 11.862 12.872 -2.648) 17.703 3.232 ( 0.719 2.345 -12.089) 12.335 4.139 ( 1.883 10.092 0.867) 10.303 5.043 ( 4.971 22.909 1.958) 23.524 8.786 ( -4.434 2.619 -4.101) 6.583 8.962 ( 9.465 18.815 -1.193) 21.095 10.754 ( -0.906 -8.136 -8.685) 11.935 10.915 ( 6.923 1.754 0.944) 7.204 12.828 ( -5.597 -27.127 9.156) 29.173 15.164 ( -7.311 3.045 -6.845) 10.468 ======================= Grid point 1002 (353/489) ======================= q-point: ( 0.59 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 5.985 5.440 6.388) 10.306 2.757 ( 5.042 6.897 5.843) 10.351 3.153 ( -0.371 -1.030 -13.133) 13.179 3.522 ( 12.426 16.369 -1.059) 20.578 4.255 ( 1.815 5.792 1.928) 6.369 5.327 ( 4.377 15.454 1.053) 16.096 8.766 ( -0.834 7.594 -2.632) 8.081 9.344 ( 10.451 18.690 0.171) 21.414 10.604 ( -3.015 -9.522 -6.888) 12.133 11.097 ( 8.699 5.941 0.586) 10.551 12.483 ( -6.929 -23.444 6.302) 25.246 15.021 ( -8.122 -0.277 -4.800) 9.438 ======================= Grid point 1003 (354/489) ======================= q-point: ( 0.65 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 2.824 0.200 7.715) 8.218 2.964 ( 4.684 10.621 0.776) 11.634 3.108 ( 0.948 0.476 -10.235) 10.290 3.868 ( 8.076 15.440 -0.774) 17.442 4.338 ( 2.096 3.647 2.129) 4.714 5.506 ( 3.345 6.368 0.588) 7.217 8.899 ( 4.672 12.232 0.047) 13.094 9.661 ( 6.263 13.499 0.518) 14.890 10.431 ( -3.009 -9.850 -5.550) 11.700 11.314 ( 5.391 10.624 0.408) 11.921 12.179 ( -6.082 -15.698 3.160) 17.129 14.865 ( -5.216 -4.649 -2.361) 7.375 ======================= Grid point 1004 (355/489) ======================= q-point: ( 0.71 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 0.660 -1.801 0.821) 2.087 3.051 ( -0.676 4.677 -0.437) 4.746 3.209 ( 4.147 9.715 -3.383) 11.092 4.070 ( 2.463 5.554 0.960) 6.151 4.440 ( 0.633 11.153 0.667) 11.190 5.583 ( 3.692 -2.958 0.658) 4.777 9.147 ( 7.422 13.569 1.199) 15.512 9.812 ( -0.320 5.505 1.157) 5.634 10.292 ( 0.845 -9.658 -4.764) 10.802 11.456 ( -4.513 13.989 2.706) 14.946 12.005 ( -2.353 -4.549 -1.416) 5.313 14.750 ( 0.752 -8.799 -0.122) 8.832 ======================= Grid point 1005 (356/489) ======================= q-point: ( 0.76 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( -2.697 -0.799 -2.544) 3.793 3.107 ( 2.224 2.919 1.744) 4.063 3.338 ( -1.169 11.791 -3.664) 12.402 4.105 ( 2.198 -5.274 3.040) 6.472 4.545 ( -7.498 18.875 -0.837) 20.326 5.596 ( 5.375 -9.740 0.968) 11.167 9.365 ( 1.909 7.256 0.526) 7.521 9.826 ( -0.397 4.035 2.701) 4.872 10.236 ( 4.796 -9.530 -4.860) 11.723 11.487 ( -9.686 17.463 5.109) 20.613 11.945 ( -3.801 1.317 -4.640) 6.140 14.722 ( 7.065 -10.541 0.905) 12.722 ======================= Grid point 1006 (357/489) ======================= q-point: (-0.18 0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -4.646 0.582 -0.936) 4.775 3.174 ( 0.219 3.292 0.521) 3.340 3.383 ( -2.874 8.537 -5.148) 10.375 4.093 ( 3.368 -8.245 4.127) 9.816 4.519 ( -15.896 16.561 -0.850) 22.971 5.591 ( 5.013 -9.995 1.045) 11.231 9.313 ( -8.250 -2.799 1.554) 8.850 9.933 ( 1.653 4.992 1.395) 5.440 10.251 ( 9.052 -3.914 -5.234) 11.165 11.537 ( -8.110 20.210 5.448) 22.448 11.828 ( -7.208 -2.569 -4.310) 8.782 14.782 ( 10.518 -9.097 0.175) 13.908 ======================= Grid point 1017 (358/489) ======================= q-point: ( 0.47 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -0.000 5.973 0.552) 5.999 2.587 ( -0.000 5.868 13.116) 14.369 2.838 ( 0.000 14.181 -1.290) 14.239 3.233 ( 0.000 0.331 -14.305) 14.309 4.110 ( -0.000 12.785 0.593) 12.799 4.960 ( -0.000 26.976 2.390) 27.082 8.714 ( 0.000 18.838 -1.495) 18.897 8.941 ( 0.000 -2.653 -9.636) 9.994 10.764 ( 0.000 -4.034 -5.215) 6.593 10.777 ( -0.000 -3.007 1.117) 3.208 12.925 ( -0.000 -28.916 9.694) 30.498 15.313 ( 0.000 5.677 -7.490) 9.398 ======================= Grid point 1018 (359/489) ======================= q-point: ( 0.53 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 5.661 5.575 0.360) 7.954 2.679 ( 0.689 3.797 12.620) 13.197 3.048 ( 8.047 11.596 -1.733) 14.221 3.191 ( 1.093 0.632 -13.556) 13.615 4.231 ( -0.014 10.117 1.214) 10.190 5.236 ( 1.222 23.447 1.582) 23.532 8.858 ( -2.728 3.289 -9.111) 10.064 8.977 ( 7.786 16.148 -3.264) 18.222 10.690 ( -1.863 -5.653 -1.668) 6.182 10.814 ( 5.452 -0.285 2.170) 5.875 12.640 ( -2.197 -28.388 7.219) 29.373 15.301 ( -5.320 4.901 -6.536) 9.749 ======================= Grid point 1019 (360/489) ======================= q-point: ( 0.59 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 9.355 5.495 0.848) 10.882 2.764 ( 1.910 1.425 11.500) 11.745 3.116 ( -0.066 0.770 -12.211) 12.235 3.416 ( 14.758 11.935 -1.291) 19.024 4.312 ( -0.686 6.204 1.218) 6.360 5.463 ( 0.304 17.565 0.750) 17.583 8.841 ( -0.800 7.012 -7.262) 10.127 9.320 ( 11.973 16.155 -1.857) 20.193 10.574 ( -4.157 -6.113 -0.800) 7.436 10.964 ( 10.047 1.476 1.909) 10.332 12.340 ( -2.906 -24.944 5.318) 25.669 15.187 ( -9.989 2.981 -5.438) 11.758 ======================= Grid point 1020 (361/489) ======================= q-point: ( 0.65 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 2.761 -0.470 6.969) 7.511 2.907 ( 10.316 5.335 2.166) 11.814 3.094 ( -0.564 2.370 -8.494) 8.836 3.807 ( 15.086 12.458 -1.152) 19.599 4.345 ( -0.110 2.068 1.286) 2.438 5.590 ( -2.253 10.306 0.147) 10.550 8.942 ( 3.676 11.317 -3.199) 12.322 9.653 ( 9.263 11.739 -1.591) 15.038 10.421 ( -6.184 -5.758 -0.384) 8.459 11.202 ( 14.219 3.009 0.032) 14.534 12.092 ( -2.180 -17.444 4.426) 18.129 14.992 ( -12.050 0.162 -3.957) 12.684 ======================= Grid point 1021 (362/489) ======================= q-point: ( 0.71 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 1.314 -2.234 3.653) 4.479 3.089 ( -0.326 2.412 -4.101) 4.769 3.169 ( 10.139 8.005 0.961) 12.954 4.089 ( 2.551 6.436 -1.139) 7.016 4.435 ( 9.496 5.294 1.211) 10.939 5.590 ( -4.862 2.107 -0.091) 5.300 9.161 ( 7.022 13.076 -0.239) 14.844 9.839 ( 3.429 4.200 -1.592) 5.651 10.247 ( -6.552 -5.936 -0.093) 8.842 11.496 ( 13.023 6.180 -1.567) 14.500 11.956 ( -0.088 -7.572 3.685) 8.421 14.769 ( -10.027 -3.075 -2.044) 10.685 ======================= Grid point 1022 (363/489) ======================= q-point: ( 0.76 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 0.253 -0.946 0.155) 0.991 3.100 ( 0.275 1.454 -0.321) 1.514 3.414 ( 6.717 10.148 -0.368) 12.175 4.058 ( -3.482 -4.587 0.287) 5.766 4.735 ( 8.950 14.960 0.061) 17.434 5.475 ( -4.569 -7.432 0.105) 8.725 9.399 ( 5.027 9.229 0.566) 10.525 9.883 ( 0.042 2.590 0.170) 2.596 10.093 ( -2.391 -7.421 -1.298) 7.904 11.705 ( 2.084 7.450 0.712) 7.768 11.957 ( 2.588 0.458 -0.156) 2.633 14.599 ( -3.382 -5.285 -0.340) 6.284 ======================= Grid point 1023 (364/489) ======================= q-point: (-0.18 0.47 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( -1.898 1.268 -0.424) 2.322 3.129 ( 2.551 -0.308 -0.151) 2.574 3.572 ( -2.801 12.408 -2.356) 12.936 3.952 ( 1.602 -10.446 2.455) 10.850 4.929 ( -9.981 17.711 -0.623) 20.339 5.354 ( 7.124 -13.918 0.700) 15.651 9.441 ( -5.594 -0.111 1.721) 5.854 9.952 ( 0.148 2.536 1.251) 2.832 10.050 ( 7.806 -1.272 -3.647) 8.709 11.747 ( -2.421 1.864 2.305) 3.827 11.973 ( -5.254 5.541 -1.772) 7.839 14.562 ( 4.986 -4.485 -0.176) 6.709 ======================= Grid point 1035 (365/489) ======================= q-point: ( 0.53 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 0.000 4.517 -0.007) 4.517 2.738 ( -0.000 1.251 12.600) 12.662 3.085 ( 0.000 10.712 -0.537) 10.726 3.138 ( 0.000 0.079 -13.617) 13.618 4.332 ( -0.000 8.492 0.952) 8.546 5.457 ( -0.000 20.799 0.880) 20.818 8.883 ( 0.000 3.704 -12.536) 13.072 9.045 ( 0.000 14.869 -2.062) 15.011 10.682 ( -0.000 -3.487 4.036) 5.333 10.755 ( -0.000 -0.127 1.540) 1.545 12.388 ( -0.000 -28.236 4.753) 28.634 15.384 ( 0.000 5.251 -5.901) 7.900 ======================= Grid point 1036 (366/489) ======================= q-point: ( 0.59 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 6.410 3.970 0.116) 7.541 2.780 ( 0.581 -1.260 11.624) 11.706 3.100 ( -0.299 2.417 -10.250) 10.535 3.283 ( 10.562 8.545 -0.933) 13.618 4.396 ( -1.307 5.719 0.344) 5.877 5.643 ( -0.588 16.221 0.181) 16.232 8.894 ( -0.231 7.246 -9.312) 11.801 9.264 ( 9.248 12.647 -2.021) 15.797 10.617 ( -4.405 -2.177 3.819) 6.223 10.825 ( 6.171 -0.737 1.981) 6.523 12.124 ( -0.060 -24.922 3.088) 25.112 15.359 ( -6.508 4.376 -5.273) 9.451 ======================= Grid point 1037 (367/489) ======================= q-point: ( 0.65 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 9.132 2.613 0.986) 9.550 2.811 ( 2.851 -2.091 7.854) 8.613 3.108 ( 0.098 4.020 -5.903) 7.142 3.611 ( 17.222 7.798 -0.616) 18.915 4.401 ( -2.871 2.390 -0.155) 3.738 5.750 ( -2.991 10.651 -0.354) 11.069 8.983 ( 2.668 10.679 -4.415) 11.859 9.566 ( 11.658 9.258 -2.095) 15.034 10.518 ( -7.025 -0.139 3.088) 7.675 10.951 ( 11.605 -4.685 0.085) 12.515 11.934 ( 1.820 -16.528 3.101) 16.914 15.216 ( -12.085 2.860 -4.423) 13.183 ======================= Grid point 1038 (368/489) ======================= q-point: ( 0.71 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( 1.365 -3.003 4.699) 5.741 2.992 ( 12.216 2.864 -0.672) 12.565 3.143 ( 0.479 4.604 -0.447) 4.650 4.004 ( 17.215 7.731 -1.299) 18.916 4.356 ( -1.389 -1.290 0.125) 1.899 5.742 ( -6.885 4.884 -0.677) 8.469 9.166 ( 5.799 11.457 -0.716) 12.861 9.779 ( 5.994 2.640 -2.850) 7.143 10.379 ( -10.011 -0.044 2.910) 10.425 11.179 ( 20.613 -3.984 -2.443) 21.136 11.876 ( 3.060 -6.735 4.172) 8.493 14.985 ( -14.958 1.316 -3.044) 15.321 ======================= Grid point 1039 (369/489) ======================= q-point: ( 0.76 0.53 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 1.664 -2.449 2.350) 3.780 3.123 ( 0.237 2.890 -1.877) 3.454 3.307 ( 11.978 4.267 2.915) 13.045 4.131 ( -6.275 -0.021 -2.566) 6.779 4.536 ( 20.413 2.757 1.020) 20.624 5.604 ( -11.301 -0.057 -0.752) 11.326 9.369 ( 6.146 5.344 -0.270) 8.148 9.851 ( 3.288 1.638 -2.882) 4.669 10.197 ( -10.733 -1.020 3.685) 11.394 11.532 ( 20.171 0.898 -4.540) 20.695 11.901 ( 3.099 -2.860 4.929) 6.487 14.732 ( -13.427 0.650 -1.210) 13.497 ======================= Grid point 1053 (370/489) ======================= q-point: ( 0.59 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -0.000 2.968 0.184) 2.974 2.786 ( -0.000 -3.181 10.285) 10.766 3.109 ( 0.000 3.737 -7.152) 8.070 3.259 ( 0.000 6.655 -0.169) 6.657 4.459 ( 0.000 4.058 -0.556) 4.095 5.796 ( 0.000 12.626 -0.433) 12.633 8.950 ( 0.000 9.176 -6.644) 11.329 9.285 ( 0.000 9.869 -0.738) 9.896 10.654 ( -0.000 -3.048 4.638) 5.550 10.773 ( -0.000 0.778 0.384) 0.867 11.886 ( -0.000 -22.118 1.517) 22.170 15.447 ( 0.000 4.136 -5.031) 6.513 ======================= Grid point 1054 (371/489) ======================= q-point: ( 0.65 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 6.634 2.102 0.285) 6.965 2.780 ( 0.477 -4.103 8.170) 9.155 3.139 ( 0.079 5.362 -2.896) 6.095 3.415 ( 11.031 4.605 -0.134) 11.954 4.468 ( -2.162 1.786 -1.310) 3.095 5.885 ( -1.659 7.963 -0.904) 8.184 9.052 ( 1.101 11.776 -1.250) 11.894 9.455 ( 8.870 7.177 -0.261) 11.413 10.625 ( -1.147 -0.478 2.443) 2.741 10.766 ( 0.616 -5.645 -1.548) 5.886 11.733 ( 3.651 -13.758 1.886) 14.358 15.406 ( -7.076 3.164 -4.651) 9.040 ======================= Grid point 1055 (372/489) ======================= q-point: ( 0.71 0.59 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 4.158 -2.158 2.668) 5.391 2.811 ( 8.236 -0.905 3.246) 8.898 3.195 ( -0.170 6.031 0.541) 6.058 3.719 ( 18.825 3.091 -0.175) 19.078 4.411 ( -4.426 -0.717 -1.821) 4.839 5.885 ( -4.616 3.163 -1.210) 5.725 9.208 ( 2.398 11.206 2.975) 11.839 9.674 ( 8.575 3.327 -1.579) 9.332 10.568 ( -9.436 0.684 1.554) 9.588 10.778 ( 15.460 -7.924 -3.297) 17.682 11.742 ( 6.109 -4.996 2.948) 8.424 15.245 ( -12.754 2.336 -3.762) 13.501 ======================= Grid point 1056 (373/489) ======================= q-point: (-0.24 -0.41 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 1.624 -4.045 2.942) 5.258 3.021 ( 12.519 0.251 -0.269) 12.525 3.257 ( 0.200 5.825 3.560) 6.829 4.097 ( 19.215 2.182 -1.524) 19.398 4.300 ( -3.202 -3.808 -1.067) 5.088 5.779 ( -8.395 -0.509 -1.267) 8.505 9.330 ( 1.759 1.581 2.321) 3.314 9.808 ( 4.712 4.564 -2.568) 7.045 10.386 ( -9.777 -1.813 2.818) 10.335 11.105 ( 24.833 0.568 -3.748) 25.120 11.815 ( 4.520 -3.055 3.601) 6.537 15.008 ( -15.349 2.515 -2.163) 15.703 ======================= Grid point 1071 (374/489) ======================= q-point: ( 0.65 0.65 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -0.000 1.141 0.501) 1.246 2.755 ( -0.000 -4.853 7.175) 8.663 3.196 ( -0.000 6.747 0.337) 6.755 3.350 ( -0.000 2.388 0.049) 2.389 4.493 ( 0.000 0.160 -2.166) 2.172 5.956 ( 0.000 3.809 -1.338) 4.037 9.177 ( -0.000 13.683 4.580) 14.429 9.437 ( -0.000 5.018 1.627) 5.275 10.549 ( 0.000 -8.877 -3.573) 9.569 10.772 ( 0.000 -0.870 -1.691) 1.902 11.592 ( -0.000 -6.769 2.373) 7.173 15.483 ( 0.000 2.341 -4.794) 5.335 ======================= Grid point 1072 (375/489) ======================= q-point: (-0.29 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 6.131 -0.148 0.448) 6.149 2.729 ( 0.976 -5.113 5.703) 7.721 3.274 ( -0.278 7.930 2.980) 8.476 3.464 ( 11.311 0.329 0.125) 11.317 4.454 ( -2.554 -1.852 -2.857) 4.256 5.950 ( -1.995 -0.724 -1.636) 2.680 9.330 ( -0.921 11.286 9.086) 14.519 9.557 ( 7.707 3.194 1.508) 8.478 10.478 ( 5.421 -10.600 -7.589) 14.119 10.709 ( -4.045 0.690 -1.094) 4.247 11.620 ( 4.849 0.313 2.744) 5.580 15.426 ( -6.861 1.565 -4.491) 8.348 ======================= Grid point 1073 (376/489) ======================= q-point: (-0.24 -0.35 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 1.693 -4.859 2.326) 5.647 2.799 ( 10.813 -2.176 1.618) 11.148 3.356 ( -1.227 8.260 4.813) 9.638 3.732 ( 19.282 -1.747 0.071) 19.361 4.351 ( -4.915 -3.639 -3.441) 7.017 5.862 ( -4.415 -4.460 -1.706) 6.503 9.363 ( -3.833 -1.921 5.561) 7.022 9.746 ( 7.750 4.431 0.749) 8.958 10.444 ( 0.860 -5.165 -1.882) 5.564 10.782 ( 11.663 5.583 -2.390) 13.149 11.730 ( 4.462 1.593 2.443) 5.331 15.263 ( -11.754 1.728 -3.403) 12.358 ======================= Grid point 1089 (377/489) ======================= q-point: (-0.29 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -0.000 -0.975 0.612) 1.151 2.681 ( -0.000 -6.126 4.875) 7.829 3.355 ( -0.000 -1.917 0.158) 1.923 3.379 ( -0.000 9.566 5.229) 10.901 4.439 ( 0.000 -3.829 -3.650) 5.290 5.931 ( 0.000 -5.310 -1.923) 5.647 9.495 ( -0.000 8.238 13.527) 15.838 9.497 ( -0.000 -1.014 3.019) 3.185 10.327 ( 0.000 -3.498 -9.893) 10.493 10.720 ( 0.000 -2.410 -2.924) 3.789 11.623 ( -0.000 6.613 2.388) 7.031 15.482 ( 0.000 0.607 -4.896) 4.934 ======================= Grid point 1090 (378/489) ======================= q-point: (-0.24 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 3.973 -3.157 0.538) 5.103 2.644 ( 2.837 -6.026 3.366) 7.463 3.420 ( 9.567 -3.417 0.930) 10.201 3.497 ( 0.729 9.598 5.959) 11.321 4.356 ( -2.386 -5.759 -4.402) 7.631 5.836 ( -1.492 -9.462 -2.013) 9.788 9.421 ( -5.137 -6.878 3.991) 9.467 9.625 ( 7.210 -3.987 5.127) 9.704 10.380 ( 3.924 10.595 -2.296) 11.530 10.711 ( 2.926 0.611 -1.816) 3.498 11.730 ( 1.794 8.308 1.112) 8.572 15.418 ( -5.946 0.462 -4.551) 7.502 ======================= Grid point 1107 (379/489) ======================= q-point: (-0.24 -0.24 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -0.000 -3.383 0.374) 3.403 2.564 ( -0.000 -7.954 2.710) 8.403 3.275 ( -0.000 -6.078 0.164) 6.080 3.631 ( -0.000 11.000 8.035) 13.622 4.292 ( 0.000 -8.062 -5.315) 9.656 5.721 ( 0.000 -14.292 -2.126) 14.450 9.408 ( -0.000 -9.740 1.859) 9.916 9.459 ( 0.000 -13.790 -0.033) 13.790 10.541 ( -0.000 23.891 7.322) 24.988 10.668 ( 0.000 -0.598 -1.851) 1.946 11.823 ( 0.000 11.589 -0.830) 11.618 15.455 ( 0.000 -0.117 -5.100) 5.101 ======================= Grid point 1234 (380/489) ======================= q-point: ( 0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.000 0.000 19.242) 19.242 0.787 ( -0.000 0.000 19.242) 19.242 1.721 ( -0.000 0.000 43.932) 43.932 2.052 ( 0.000 -0.000 -4.992) 4.992 2.052 ( 0.000 -0.000 -4.992) 4.992 5.025 ( 0.000 -0.000 -16.684) 16.684 7.389 ( -0.000 0.000 2.795) 2.795 7.389 ( -0.000 0.000 2.795) 2.795 11.251 ( 0.000 -0.000 -1.573) 1.573 11.251 ( 0.000 -0.000 -1.573) 1.573 14.788 ( -0.000 0.000 1.142) 1.142 14.884 ( 0.000 -0.000 -0.536) 0.536 ======================= Grid point 1235 (381/489) ======================= q-point: ( 0.29 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 11.982 6.918 15.829) 21.024 1.238 ( 21.574 12.456 16.919) 30.114 1.957 ( 11.676 6.741 34.191) 36.753 2.071 ( 2.941 1.698 -5.097) 6.124 2.202 ( 13.180 7.610 -3.621) 15.644 4.633 ( -16.217 -9.363 -8.119) 20.410 7.457 ( 4.996 2.884 2.710) 6.374 8.477 ( 64.008 36.955 -22.216) 77.177 10.957 ( -20.966 -12.105 -3.766) 24.500 11.219 ( -2.401 -1.386 -1.575) 3.189 14.670 ( -10.098 -5.830 4.435) 12.475 14.961 ( 5.848 3.376 -4.265) 7.987 ======================= Grid point 1236 (382/489) ======================= q-point: ( 0.35 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 16.844 9.725 11.187) 22.438 1.651 ( 9.134 5.273 23.278) 25.556 2.158 ( 5.835 3.369 -5.107) 8.455 2.533 ( 28.294 16.336 17.399) 37.015 2.584 ( 20.291 11.715 -4.670) 23.891 4.348 ( -6.997 -4.040 -9.389) 12.386 7.635 ( 9.617 5.552 2.387) 11.359 9.453 ( 13.179 7.609 -2.888) 15.490 10.574 ( 2.509 1.448 -25.046) 25.213 11.136 ( -4.212 -2.432 -1.527) 5.098 14.396 ( -14.868 -8.584 10.206) 19.973 15.050 ( 2.863 1.653 -9.017) 9.604 ======================= Grid point 1237 (383/489) ======================= q-point: ( 0.41 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 15.097 8.717 7.906) 19.142 1.899 ( 7.774 4.488 20.512) 22.391 2.315 ( 9.107 5.258 -4.638) 11.493 3.008 ( 16.835 9.720 2.063) 19.549 3.288 ( 30.167 17.417 0.455) 34.837 4.240 ( 0.845 0.488 -7.689) 7.751 7.913 ( 13.584 7.843 1.890) 15.799 9.205 ( -21.513 -12.421 6.587) 25.700 10.888 ( 20.163 11.641 -29.101) 37.268 11.023 ( -4.861 -2.807 -1.375) 5.779 14.046 ( -18.493 -10.677 13.296) 25.155 15.047 ( 0.096 0.055 -9.902) 9.903 ======================= Grid point 1238 (384/489) ======================= q-point: ( 0.47 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 10.307 5.951 4.415) 12.694 2.160 ( 9.926 5.731 15.613) 19.368 2.554 ( 12.181 7.033 -2.844) 14.351 3.309 ( 8.194 4.731 -4.244) 10.370 3.823 ( 15.626 9.021 -5.209) 18.780 4.442 ( 18.343 10.590 1.303) 21.220 8.267 ( 16.148 9.323 1.240) 18.687 8.776 ( -14.800 -8.545 3.060) 17.362 10.911 ( -4.296 -2.480 -1.025) 5.065 11.136 ( 7.631 4.406 -22.111) 23.802 13.605 ( -22.981 -13.268 11.597) 28.960 15.031 ( 1.210 0.699 -6.131) 6.288 ======================= Grid point 1239 (385/489) ======================= q-point: ( 0.53 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 6.892 3.979 1.635) 8.124 2.445 ( 10.692 6.173 11.696) 17.006 2.836 ( 11.975 6.914 -1.149) 13.876 3.364 ( -0.142 -0.082 -12.333) 12.334 4.091 ( 9.615 5.551 0.330) 11.108 4.955 ( 22.179 12.805 2.830) 25.766 8.573 ( -2.991 -1.727 1.006) 3.597 8.654 ( 16.501 9.527 0.374) 19.058 10.824 ( -2.916 -1.684 -0.356) 3.386 11.136 ( -1.548 -0.894 -17.116) 17.209 13.052 ( -26.660 -15.392 7.154) 31.604 15.078 ( 3.640 2.101 -0.692) 4.259 ======================= Grid point 1240 (386/489) ======================= q-point: ( 0.59 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 4.834 2.791 0.262) 5.588 2.712 ( 9.387 5.419 8.514) 13.783 3.084 ( 9.317 5.379 -0.465) 10.769 3.277 ( -3.066 -1.770 -14.982) 15.395 4.280 ( 6.095 3.519 3.349) 7.794 5.426 ( 17.218 9.941 2.363) 20.021 8.636 ( 7.998 4.617 -0.658) 9.258 9.017 ( 14.398 8.313 -0.761) 16.643 10.774 ( -1.525 -0.881 0.685) 1.890 10.995 ( -6.306 -3.641 -11.794) 13.861 12.442 ( -26.168 -15.108 3.232) 30.388 15.182 ( 4.621 2.668 3.082) 6.161 ======================= Grid point 1241 (387/489) ======================= q-point: ( 0.65 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 3.003 1.734 -0.366) 3.487 2.914 ( 5.240 3.025 3.854) 7.174 3.163 ( -1.653 -0.954 -12.858) 12.999 3.260 ( 5.830 3.366 -0.238) 6.736 4.396 ( 2.943 1.699 3.759) 5.067 5.758 ( 10.585 6.111 2.087) 12.399 8.913 ( 15.665 9.044 -3.549) 18.433 9.304 ( 10.412 6.012 -2.005) 12.189 10.751 ( -1.030 -0.595 1.915) 2.254 10.775 ( -10.864 -6.273 -4.262) 13.249 11.914 ( -18.301 -10.566 -0.019) 21.132 15.296 ( 3.889 2.245 4.903) 6.649 ======================= Grid point 1242 (388/489) ======================= q-point: ( 0.71 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 1.100 0.635 -0.620) 1.413 2.892 ( -5.011 -2.893 -6.990) 9.074 3.226 ( 7.776 4.489 -3.034) 9.478 3.351 ( 2.103 1.214 -0.157) 2.433 4.439 ( -0.229 -0.132 3.496) 3.506 5.925 ( 3.145 1.816 1.946) 4.120 9.306 ( 18.792 10.849 -8.986) 23.486 9.480 ( 5.300 3.060 -2.909) 6.776 10.464 ( -15.123 -8.731 5.266) 18.239 10.729 ( -1.622 -0.937 2.845) 3.406 11.639 ( -4.849 -2.799 -2.546) 6.150 15.384 ( 2.229 1.287 5.585) 6.149 ======================= Grid point 1243 (389/489) ======================= q-point: (-0.24 0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -0.887 -0.512 -0.621) 1.198 2.732 ( -6.428 -3.711 -6.102) 9.609 3.356 ( -1.649 -0.952 -0.134) 1.909 3.423 ( 9.598 5.542 -4.285) 11.883 4.404 ( -3.725 -2.151 3.795) 5.736 5.913 ( -4.674 -2.698 1.959) 5.741 9.524 ( -0.977 -0.564 -2.923) 3.133 9.616 ( 5.506 3.179 -12.589) 14.103 10.239 ( -0.343 -0.198 8.952) 8.961 10.693 ( -1.983 -1.145 2.891) 3.688 11.644 ( 4.963 2.865 -2.132) 6.114 15.434 ( 0.645 0.372 5.658) 5.707 ======================= Grid point 1252 (390/489) ======================= q-point: ( 0.29 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -0.000 16.691 14.402) 22.045 1.217 ( -0.000 27.215 15.142) 31.143 2.052 ( 0.000 3.208 -5.878) 6.696 2.056 ( -0.000 9.847 33.835) 35.239 2.183 ( 0.000 14.131 -2.022) 14.275 4.605 ( 0.000 -18.171 -9.942) 20.713 7.465 ( -0.000 5.900 2.683) 6.482 8.400 ( 0.000 69.482 -17.792) 71.723 10.993 ( 0.000 -19.610 -4.845) 20.200 11.207 ( 0.000 -3.194 -1.531) 3.542 14.667 ( -0.000 -13.081 4.478) 13.826 14.947 ( 0.000 6.076 -3.783) 7.158 ======================= Grid point 1253 (391/489) ======================= q-point: ( 0.35 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 4.501 20.094 11.872) 23.769 1.650 ( 9.170 15.191 18.979) 25.982 2.107 ( 3.612 5.334 -5.834) 8.691 2.392 ( 13.334 22.778 9.328) 27.994 2.450 ( 11.524 14.856 9.481) 21.057 4.368 ( -5.165 -8.968 -10.375) 14.655 7.591 ( 4.873 8.885 2.472) 10.431 9.233 ( 23.525 35.079 -10.189) 43.449 10.628 ( -13.067 -10.079 -15.465) 22.616 11.155 ( -1.549 -3.751 -1.768) 4.427 14.478 ( -6.125 -16.216 8.571) 19.337 15.014 ( 1.860 4.803 -7.527) 9.121 ======================= Grid point 1254 (392/489) ======================= q-point: ( 0.41 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 8.867 17.571 9.390) 21.807 1.921 ( 4.291 7.759 20.611) 22.437 2.246 ( 6.134 8.822 -5.273) 11.969 2.839 ( 15.296 14.204 -0.752) 20.887 3.029 ( 23.605 24.463 6.787) 34.665 4.217 ( -1.511 -1.900 -9.841) 10.136 7.824 ( 8.994 11.870 2.191) 15.053 9.410 ( -13.296 -13.634 8.624) 20.906 10.616 ( 14.396 17.032 -29.313) 36.832 11.071 ( -3.397 -2.663 -2.478) 4.977 14.193 ( -10.542 -17.696 11.847) 23.762 15.036 ( -0.561 2.759 -9.770) 10.167 ======================= Grid point 1255 (393/489) ======================= q-point: ( 0.47 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 7.201 12.785 6.250) 15.949 2.139 ( 5.921 7.690 16.936) 19.520 2.471 ( 8.595 13.042 -3.503) 16.008 3.187 ( 10.891 7.192 -2.715) 13.331 3.631 ( 18.168 15.949 -3.020) 24.363 4.288 ( 10.686 9.036 -2.485) 14.214 8.148 ( 11.986 14.353 1.863) 18.792 8.969 ( -17.629 -13.261 5.077) 22.636 10.917 ( 7.539 3.389 -11.941) 14.523 10.992 ( 0.611 2.791 -12.094) 12.427 13.818 ( -15.762 -18.950 11.282) 27.108 15.015 ( -0.605 1.857 -7.611) 7.858 ======================= Grid point 1256 (394/489) ======================= q-point: ( 0.53 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 4.452 9.753 2.725) 11.062 2.387 ( 8.050 7.637 13.492) 17.469 2.766 ( 8.945 15.014 -1.313) 17.526 3.311 ( 2.238 0.082 -10.479) 10.716 3.975 ( 11.021 8.244 -1.473) 13.841 4.726 ( 20.724 15.531 2.211) 25.992 8.524 ( 12.486 14.681 1.599) 19.339 8.654 ( -8.130 -4.147 2.743) 9.530 10.873 ( -3.872 -0.657 -1.229) 4.115 11.059 ( 3.486 -0.074 -17.273) 17.621 13.326 ( -21.579 -19.309 7.294) 29.861 15.029 ( 2.560 0.993 -2.390) 3.640 ======================= Grid point 1257 (395/489) ======================= q-point: ( 0.59 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 2.447 8.624 0.832) 9.003 2.641 ( 8.423 6.281 10.543) 14.884 3.051 ( 6.509 14.578 -0.377) 15.970 3.256 ( -1.788 -2.042 -14.303) 14.559 4.206 ( 7.814 4.671 2.166) 9.358 5.228 ( 18.718 12.280 2.062) 22.482 8.584 ( 2.208 2.207 2.010) 3.713 8.914 ( 11.627 15.809 0.555) 19.632 10.800 ( -2.774 -1.286 -2.001) 3.654 11.007 ( -2.428 -1.645 -11.590) 11.955 12.743 ( -24.941 -17.526 3.241) 30.655 15.105 ( 5.637 -0.533 2.044) 6.020 ======================= Grid point 1258 (396/489) ======================= q-point: ( 0.65 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.615 7.815 -0.035) 7.839 2.856 ( 6.683 3.738 7.168) 10.489 3.147 ( -2.473 -1.595 -14.248) 14.549 3.275 ( 2.718 13.460 -0.208) 13.733 4.354 ( 4.722 1.538 3.226) 5.922 5.618 ( 13.705 7.417 1.881) 15.696 8.757 ( 10.866 7.559 0.090) 13.237 9.242 ( 8.202 14.073 -0.473) 16.296 10.735 ( -0.622 -4.224 -2.975) 5.204 10.889 ( -7.507 -0.020 -4.133) 8.569 12.170 ( -22.662 -12.157 0.431) 25.721 15.213 ( 6.830 -2.286 4.363) 8.421 ======================= Grid point 1259 (397/489) ======================= q-point: ( 0.71 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -1.290 6.790 -0.441) 6.926 2.914 ( -2.669 -2.370 -4.781) 5.966 3.139 ( 5.470 3.730 -4.066) 7.769 3.415 ( -1.335 11.861 -0.145) 11.937 4.425 ( 2.114 -1.055 3.222) 3.995 5.859 ( 7.440 2.485 1.829) 8.055 9.082 ( 15.912 9.860 -4.172) 19.178 9.466 ( 3.460 10.501 -1.483) 11.155 10.655 ( -8.219 -2.587 -0.831) 8.656 10.725 ( -4.430 -4.276 2.621) 6.692 11.771 ( -13.139 -2.614 -1.951) 13.538 15.313 ( 6.251 -3.790 5.183) 8.962 ======================= Grid point 1260 (398/489) ======================= q-point: (-0.24 0.29 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -3.175 5.212 -0.573) 6.130 2.785 ( -5.662 -2.675 -6.525) 9.044 3.303 ( 8.456 4.475 -3.150) 10.072 3.466 ( -5.346 9.965 -0.156) 11.309 4.426 ( -0.691 -3.274 3.361) 4.743 5.934 ( 0.255 -2.108 1.862) 2.824 9.420 ( 12.628 4.776 -10.560) 17.140 9.571 ( 0.552 7.658 -1.619) 7.846 10.406 ( -14.028 -0.682 8.179) 16.253 10.697 ( 1.481 -2.353 1.435) 3.129 11.646 ( -2.274 4.239 -2.811) 5.572 15.382 ( 4.767 -4.738 5.184) 8.488 ======================= Grid point 1270 (399/489) ======================= q-point: ( 0.35 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.000 18.818 10.285) 21.445 1.804 ( -0.000 18.568 17.502) 25.516 2.109 ( 0.000 6.449 -6.849) 9.407 2.531 ( 0.000 23.021 -5.649) 23.704 2.587 ( -0.000 24.573 22.453) 33.286 4.285 ( 0.000 -7.980 -11.132) 13.697 7.658 ( -0.000 11.754 2.134) 11.946 9.367 ( 0.000 26.302 -0.822) 26.315 10.601 ( 0.000 -4.846 -23.628) 24.120 11.109 ( 0.000 -5.465 -1.234) 5.603 14.368 ( -0.000 -20.245 10.264) 22.698 15.033 ( 0.000 5.916 -8.193) 10.105 ======================= Grid point 1271 (400/489) ======================= q-point: ( 0.41 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 4.255 17.746 9.018) 20.355 2.026 ( 1.157 11.034 17.418) 20.651 2.220 ( 5.708 9.897 -5.893) 12.855 2.803 ( 7.081 18.797 -1.445) 20.138 3.025 ( 11.022 30.216 8.910) 33.375 4.185 ( -0.677 -1.960 -10.216) 10.424 7.842 ( 5.102 14.574 1.846) 15.551 9.463 ( -5.042 -11.104 9.768) 15.625 10.561 ( 2.762 16.515 -29.737) 34.127 11.054 ( 0.113 -4.927 -2.175) 5.387 14.151 ( -4.230 -22.144 12.228) 25.647 15.059 ( -0.761 5.037 -9.715) 10.970 ======================= Grid point 1272 (401/489) ======================= q-point: ( 0.47 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 5.319 13.173 6.766) 15.735 2.204 ( 2.500 9.907 14.682) 17.887 2.460 ( 8.659 15.143 -3.375) 17.768 3.092 ( 8.167 10.384 -2.873) 13.520 3.538 ( 13.057 22.174 -0.645) 25.740 4.226 ( 6.022 9.532 -4.118) 12.004 8.134 ( 9.056 17.373 1.813) 19.676 9.124 ( -14.824 -16.277 4.903) 22.555 10.769 ( 9.238 10.919 -18.335) 23.254 10.996 ( -1.203 -2.910 -4.558) 5.540 13.848 ( -8.662 -23.440 11.875) 27.667 15.045 ( -2.332 3.746 -9.021) 10.042 ======================= Grid point 1273 (402/489) ======================= q-point: ( 0.53 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 4.440 11.162 3.673) 12.561 2.403 ( 4.351 9.174 12.788) 16.328 2.784 ( 9.027 18.585 -1.320) 20.704 3.233 ( 3.411 0.980 -9.016) 9.690 3.887 ( 9.449 11.978 -2.120) 15.403 4.580 ( 15.814 18.563 1.449) 24.429 8.502 ( 10.716 18.914 1.993) 21.830 8.774 ( -10.831 -7.463 2.299) 13.353 10.918 ( -2.558 -1.473 -2.346) 3.770 10.929 ( 6.020 1.780 -14.510) 15.809 13.445 ( -14.011 -23.503 8.544) 28.665 15.015 ( -1.171 1.694 -5.250) 5.639 ======================= Grid point 1274 (403/489) ======================= q-point: ( 0.59 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 2.213 11.590 1.282) 11.869 2.616 ( 6.082 7.140 11.610) 14.926 3.114 ( 6.621 18.936 -0.436) 20.065 3.211 ( -0.085 -1.949 -12.927) 13.073 4.131 ( 7.639 7.048 1.042) 10.445 5.054 ( 16.929 15.114 1.538) 22.746 8.610 ( -2.400 0.674 2.667) 3.651 8.912 ( 10.380 19.993 1.510) 22.577 10.809 ( -2.955 -5.268 -7.841) 9.898 10.996 ( 1.312 3.467 -5.385) 6.538 12.947 ( -18.948 -21.112 4.085) 28.660 15.018 ( 2.485 -1.575 -0.633) 3.009 ======================= Grid point 1275 (404/489) ======================= q-point: ( 0.65 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -0.093 11.626 0.342) 11.632 2.813 ( 5.682 4.316 9.441) 11.834 3.124 ( -1.544 -1.701 -13.925) 14.113 3.399 ( 3.100 19.129 -0.033) 19.378 4.295 ( 4.977 2.647 2.309) 6.092 5.455 ( 14.380 8.800 1.355) 16.913 8.691 ( 5.786 7.050 2.452) 9.445 9.275 ( 7.763 18.512 1.228) 20.111 10.678 ( -1.494 -7.442 -7.124) 10.410 11.014 ( -3.989 6.126 -2.038) 7.589 12.417 ( -20.386 -15.391 0.517) 25.549 15.064 ( 6.150 -5.103 2.566) 8.393 ======================= Grid point 1276 (405/489) ======================= q-point: ( 0.71 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( -2.425 10.852 -0.267) 11.123 2.910 ( 0.023 -1.340 0.156) 1.349 3.089 ( 2.643 3.275 -6.500) 7.744 3.604 ( -1.532 18.652 0.098) 18.715 4.376 ( 2.781 -1.094 2.487) 3.888 5.733 ( 10.279 2.684 1.432) 10.719 8.939 ( 11.245 10.283 0.278) 15.240 9.540 ( 2.983 13.936 0.745) 14.271 10.589 ( 2.258 -6.825 -4.627) 8.549 10.938 ( -11.956 5.335 1.395) 13.167 11.984 ( -15.428 -5.547 -2.032) 16.520 15.136 ( 8.169 -7.801 3.993) 11.980 ======================= Grid point 1277 (406/489) ======================= q-point: ( 0.76 0.35 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -4.514 5.602 -1.701) 7.393 2.847 ( -4.387 2.344 -4.374) 6.623 3.206 ( 6.371 3.817 -1.946) 7.678 3.717 ( -6.544 17.702 0.073) 18.873 4.390 ( 1.126 -4.142 2.604) 5.021 5.872 ( 4.876 -2.407 1.568) 5.659 9.243 ( 11.537 8.226 -4.676) 14.921 9.660 ( -0.979 7.878 1.328) 8.049 10.581 ( 2.974 -7.970 -1.317) 8.608 10.745 ( -14.837 9.703 3.971) 18.167 11.770 ( -7.615 3.138 -3.197) 8.835 15.208 ( 8.333 -9.210 4.147) 13.094 ======================= Grid point 1288 (407/489) ======================= q-point: ( 0.41 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -0.000 13.916 7.537) 15.826 2.191 ( -0.000 10.952 16.358) 19.686 2.243 ( 0.000 11.981 -7.087) 13.920 2.934 ( 0.000 17.869 -1.589) 17.939 3.276 ( -0.000 31.508 4.962) 31.896 4.160 ( 0.000 3.240 -8.113) 8.736 7.956 ( -0.000 16.614 1.042) 16.647 9.408 ( -0.000 -16.470 7.995) 18.308 10.620 ( 0.000 16.451 -27.414) 31.971 10.983 ( 0.000 -6.259 -0.577) 6.285 13.990 ( -0.000 -24.468 13.078) 27.744 15.095 ( 0.000 6.060 -9.962) 11.661 ======================= Grid point 1289 (408/489) ======================= q-point: ( 0.47 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 3.990 9.503 4.642) 11.304 2.329 ( 0.206 10.867 11.653) 15.935 2.452 ( 7.958 15.180 -1.949) 17.250 3.101 ( 2.449 10.549 -4.499) 11.727 3.617 ( 4.802 23.357 -0.824) 23.860 4.255 ( 3.404 15.527 -2.138) 16.039 8.187 ( 5.826 18.569 0.675) 19.473 9.173 ( -8.171 -16.516 1.594) 18.496 10.719 ( 3.224 10.340 -16.304) 19.574 10.937 ( 1.426 -5.216 -1.972) 5.756 13.741 ( -3.842 -26.141 12.426) 29.198 15.107 ( -2.226 5.646 -9.556) 11.320 ======================= Grid point 1290 (409/489) ======================= q-point: ( 0.53 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 6.138 8.624 2.952) 10.989 2.486 ( 1.784 9.653 11.082) 14.804 2.786 ( 11.252 17.537 -1.289) 20.876 3.176 ( 1.391 1.816 -8.976) 9.263 3.888 ( 5.294 14.815 -1.681) 15.822 4.574 ( 9.151 23.021 1.550) 24.822 8.526 ( 9.771 19.978 0.914) 22.258 8.875 ( -9.374 -8.718 -1.459) 12.884 10.817 ( 3.921 1.580 -10.788) 11.586 10.906 ( 1.202 -2.457 -0.951) 2.896 13.406 ( -7.808 -26.776 9.808) 29.565 15.072 ( -4.042 3.804 -7.460) 9.298 ======================= Grid point 1291 (410/489) ======================= q-point: ( 0.59 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 6.171 9.885 1.922) 11.810 2.648 ( 2.816 7.789 10.621) 13.468 3.145 ( 2.783 0.792 -9.981) 10.392 3.165 ( 7.691 15.882 -2.436) 17.813 4.103 ( 5.298 9.696 0.439) 11.057 4.979 ( 11.218 19.069 1.272) 22.160 8.680 ( -4.233 0.067 -0.154) 4.236 8.941 ( 10.705 20.691 0.782) 23.309 10.756 ( -1.813 -7.246 -8.290) 11.158 10.986 ( 4.430 4.878 -0.706) 6.627 12.996 ( -11.708 -25.026 5.927) 28.258 15.009 ( -3.250 0.318 -3.980) 5.148 ======================= Grid point 1292 (411/489) ======================= q-point: ( 0.65 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 2.938 11.872 0.386) 12.236 2.802 ( 3.853 4.188 10.862) 12.263 3.082 ( -0.485 -1.698 -12.895) 13.015 3.510 ( 7.283 19.278 -0.218) 20.609 4.261 ( 3.846 4.983 1.463) 6.463 5.330 ( 10.848 11.277 0.798) 15.668 8.701 ( 2.337 7.020 1.490) 7.548 9.327 ( 9.042 19.307 1.280) 21.358 10.606 ( -2.627 -9.041 -6.657) 11.531 11.113 ( 1.806 8.892 -0.584) 9.092 12.549 ( -14.301 -19.788 1.959) 24.494 14.954 ( 0.315 -4.332 -0.454) 4.367 ======================= Grid point 1293 (412/489) ======================= q-point: ( 0.71 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( -1.380 8.786 -1.747) 9.063 2.899 ( 1.260 1.689 5.984) 6.344 3.063 ( 2.271 3.641 -7.812) 8.914 3.793 ( 3.003 18.961 0.328) 19.200 4.343 ( 1.408 1.529 1.410) 2.511 5.584 ( 9.602 3.150 0.816) 10.139 8.892 ( 7.499 11.396 1.993) 13.787 9.623 ( 4.430 13.940 1.577) 14.712 10.467 ( 0.062 -9.112 -5.242) 10.512 11.194 ( -5.539 11.835 0.933) 13.100 12.150 ( -12.776 -10.464 -1.590) 16.591 14.935 ( 4.906 -8.753 1.949) 10.222 ======================= Grid point 1294 (413/489) ======================= q-point: ( 0.76 0.41 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -3.440 -1.021 -4.457) 5.722 2.980 ( -2.101 10.159 1.915) 10.549 3.153 ( 3.502 4.971 -2.611) 6.617 3.993 ( -1.666 17.859 1.094) 17.970 4.352 ( -1.024 -0.951 0.908) 1.666 5.734 ( 7.447 -3.507 1.063) 8.300 9.163 ( 8.463 11.408 -0.036) 14.204 9.755 ( -0.963 6.035 2.436) 6.579 10.410 ( 4.743 -8.629 -3.917) 10.597 11.152 ( -14.168 14.929 3.327) 20.848 11.914 ( -7.505 -0.203 -3.991) 8.503 14.958 ( 8.432 -11.514 2.785) 14.541 ======================= Grid point 1306 (414/489) ======================= q-point: ( 0.47 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.000 7.153 1.891) 7.398 2.474 ( -0.000 8.778 12.326) 15.132 2.518 ( 0.000 16.762 -2.731) 16.983 3.150 ( 0.000 5.497 -7.822) 9.560 3.793 ( 0.000 19.152 -1.590) 19.218 4.425 ( -0.000 24.372 1.153) 24.400 8.323 ( 0.000 19.138 -0.456) 19.144 9.083 ( 0.000 -14.033 -4.058) 14.608 10.737 ( 0.000 5.841 -10.696) 12.187 10.864 ( -0.000 -5.213 0.416) 5.229 13.537 ( -0.000 -28.055 11.674) 30.386 15.163 ( 0.000 6.535 -9.243) 11.320 ======================= Grid point 1307 (415/489) ======================= q-point: ( 0.53 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 4.902 6.635 0.867) 8.295 2.591 ( 0.383 8.386 10.218) 13.224 2.764 ( 8.860 15.638 -0.829) 17.992 3.151 ( 0.027 0.463 -10.324) 10.334 3.979 ( 1.646 15.195 -0.657) 15.298 4.726 ( 3.397 26.755 1.917) 27.038 8.575 ( 6.712 19.392 -0.771) 20.536 8.902 ( -4.655 -7.848 -7.280) 11.673 10.760 ( 0.958 -0.096 -4.714) 4.811 10.840 ( 2.438 -2.801 0.806) 3.800 13.250 ( -3.447 -29.079 9.529) 30.794 15.169 ( -3.607 5.822 -8.098) 10.606 ======================= Grid point 1308 (416/489) ======================= q-point: ( 0.59 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 8.257 7.147 1.006) 10.967 2.718 ( 1.597 6.854 10.152) 12.353 3.073 ( 4.829 3.504 -6.780) 9.031 3.149 ( 7.775 10.453 -5.147) 14.008 4.144 ( 2.103 10.860 0.302) 11.066 5.058 ( 4.779 22.635 1.192) 23.165 8.741 ( -3.258 0.324 -5.455) 6.362 8.951 ( 10.939 19.153 -1.245) 22.092 10.701 ( -2.133 -6.231 -2.955) 7.218 10.926 ( 6.439 2.392 1.381) 7.006 12.901 ( -6.150 -28.032 6.716) 29.474 15.104 ( -6.587 3.456 -6.105) 9.623 ======================= Grid point 1309 (417/489) ======================= q-point: ( 0.65 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 8.637 7.653 1.522) 11.640 2.838 ( 1.867 4.531 10.498) 11.586 3.037 ( -0.342 -0.876 -11.956) 11.993 3.514 ( 12.600 16.225 -0.697) 20.555 4.267 ( 2.112 6.043 0.762) 6.446 5.334 ( 4.279 15.225 0.466) 15.822 8.741 ( 1.205 6.861 -2.682) 7.465 9.343 ( 11.132 18.179 -0.386) 21.320 10.563 ( -4.181 -8.018 -2.210) 9.308 11.102 ( 8.146 6.155 0.598) 10.228 12.530 ( -7.852 -23.674 3.899) 25.246 14.983 ( -6.943 -0.394 -3.502) 7.786 ======================= Grid point 1310 (418/489) ======================= q-point: ( 0.71 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 0.984 -1.469 5.005) 5.308 2.976 ( 3.229 10.045 2.330) 10.806 3.023 ( 3.242 3.175 -7.913) 9.122 3.863 ( 8.501 15.219 -0.270) 17.434 4.351 ( 2.103 3.659 0.713) 4.280 5.510 ( 3.463 6.197 0.203) 7.102 8.899 ( 5.982 11.829 0.021) 13.255 9.664 ( 6.920 12.923 0.183) 14.660 10.396 ( -4.045 -8.640 -1.914) 9.730 11.317 ( 5.832 10.525 0.146) 12.034 12.198 ( -7.771 -15.267 1.074) 17.165 14.850 ( -3.876 -5.169 -0.830) 6.514 ======================= Grid point 1311 (419/489) ======================= q-point: ( 0.76 0.47 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( -1.763 -1.575 -1.920) 3.046 3.059 ( 1.344 3.376 2.212) 4.254 3.184 ( 3.228 11.392 -2.142) 12.032 4.079 ( 3.450 5.723 1.059) 6.766 4.442 ( 0.145 10.757 -0.254) 10.761 5.588 ( 3.974 -3.088 0.399) 5.049 9.156 ( 7.541 13.346 0.786) 15.349 9.825 ( 0.628 5.264 1.514) 5.513 10.258 ( -0.115 -9.103 -2.507) 9.443 11.479 ( -2.834 14.232 2.192) 14.676 11.986 ( -4.593 -4.359 -2.698) 6.883 14.755 ( 1.709 -9.460 1.040) 9.669 ======================= Grid point 1324 (420/489) ======================= q-point: ( 0.53 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.000 5.723 -0.061) 5.723 2.697 ( -0.000 6.534 10.095) 12.025 2.828 ( 0.000 14.533 -0.886) 14.560 3.113 ( 0.000 -1.399 -10.985) 11.074 4.113 ( -0.000 13.616 0.114) 13.617 4.978 ( -0.000 26.629 1.521) 26.673 8.699 ( 0.000 18.429 -1.674) 18.505 8.845 ( 0.000 -4.553 -11.181) 12.073 10.747 ( -0.000 -1.152 1.484) 1.879 10.788 ( -0.000 -2.713 1.278) 2.999 13.005 ( -0.000 -30.453 7.736) 31.421 15.244 ( 0.000 6.508 -7.654) 10.047 ======================= Grid point 1325 (421/489) ======================= q-point: ( 0.59 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 5.900 5.478 0.030) 8.051 2.789 ( 0.632 4.971 10.455) 11.594 3.023 ( 3.653 5.794 -4.285) 8.080 3.090 ( 5.570 5.616 -7.106) 10.633 4.237 ( 0.020 10.366 0.172) 10.368 5.246 ( 1.166 23.038 0.729) 23.079 8.768 ( -1.629 1.456 -10.016) 10.252 8.953 ( 8.350 17.070 -2.200) 19.130 10.695 ( -3.182 -3.974 2.553) 5.695 10.837 ( 5.503 0.067 2.719) 6.139 12.698 ( -2.203 -29.842 5.520) 30.429 15.240 ( -5.105 5.580 -6.636) 10.061 ======================= Grid point 1326 (422/489) ======================= q-point: ( 0.65 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 9.880 5.464 0.411) 11.297 2.875 ( 1.120 0.927 12.590) 12.674 3.008 ( -0.047 1.756 -11.353) 11.488 3.406 ( 14.938 12.169 -0.850) 19.285 4.317 ( -0.497 6.145 -0.056) 6.165 5.467 ( 0.265 17.252 0.043) 17.254 8.777 ( 1.088 7.185 -6.571) 9.798 9.303 ( 12.322 15.864 -1.811) 20.169 10.583 ( -5.382 -4.848 2.654) 7.714 10.981 ( 9.391 1.232 1.797) 9.640 12.383 ( -2.841 -25.773 3.897) 26.220 15.138 ( -9.466 3.352 -5.147) 11.284 ======================= Grid point 1327 (423/489) ======================= q-point: ( 0.71 0.53 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 5.247 0.663 4.266) 6.795 2.927 ( 5.703 1.529 0.975) 5.984 3.034 ( 0.963 5.798 -2.992) 6.595 3.798 ( 14.964 12.293 -0.771) 19.381 4.350 ( 0.286 2.012 -0.089) 2.034 5.589 ( -2.208 10.075 -0.353) 10.320 8.915 ( 5.213 11.725 -2.818) 13.138 9.638 ( 9.648 11.123 -1.702) 14.822 10.431 ( -7.260 -4.664 2.601) 9.013 11.200 ( 13.596 2.179 -0.439) 13.776 12.127 ( -2.328 -17.205 3.235) 17.661 14.959 ( -11.189 0.211 -3.184) 11.635 ======================= Grid point 1342 (424/489) ======================= q-point: ( 0.59 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.000 4.606 -0.107) 4.607 2.855 ( -0.000 1.899 12.303) 12.449 3.022 ( 0.000 0.359 -11.088) 11.093 3.081 ( 0.000 10.843 -0.312) 10.848 4.335 ( 0.000 8.354 -0.341) 8.361 5.461 ( 0.000 20.399 0.014) 20.399 8.776 ( 0.000 4.544 -10.465) 11.409 9.029 ( 0.000 15.034 -1.548) 15.113 10.732 ( -0.000 -2.805 6.781) 7.338 10.768 ( -0.000 -0.284 1.107) 1.143 12.426 ( -0.000 -29.727 3.546) 29.938 15.327 ( 0.000 5.903 -6.362) 8.678 ======================= Grid point 1343 (425/489) ======================= q-point: ( 0.65 0.59 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 6.478 4.041 0.121) 7.636 2.891 ( 0.151 -3.261 12.488) 12.908 3.012 ( 0.045 5.332 -8.918) 10.390 3.277 ( 10.486 8.928 -0.453) 13.779 4.393 ( -1.223 5.432 -0.983) 5.654 5.641 ( -0.565 15.908 -0.582) 15.929 8.820 ( 0.670 9.117 -6.702) 11.335 9.249 ( 8.956 13.018 -1.232) 15.849 10.657 ( -5.140 -2.051 4.683) 7.250 10.842 ( 6.161 -1.791 1.824) 6.670 12.149 ( 0.274 -25.860 2.360) 25.969 15.309 ( -6.303 4.866 -5.673) 9.777 ======================= Grid point 1344 (426/489) ======================= q-point: (-0.29 -0.41 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 10.264 3.056 0.515) 10.722 2.880 ( 0.425 -3.851 6.475) 7.546 3.069 ( 0.934 6.342 -1.930) 6.694 3.606 ( 17.055 7.932 -0.375) 18.813 4.394 ( -2.598 2.073 -1.381) 3.599 5.744 ( -2.930 10.411 -0.944) 10.857 8.952 ( 3.301 12.804 -2.407) 13.440 9.550 ( 11.200 9.359 -1.499) 14.672 10.550 ( -7.299 -0.436 3.934) 8.303 10.948 ( 11.132 -6.075 -0.702) 12.701 11.962 ( 2.429 -16.624 2.804) 17.033 15.175 ( -11.592 3.189 -4.498) 12.837 ======================= Grid point 1360 (427/489) ======================= q-point: (-0.35 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -0.000 3.106 0.286) 3.119 2.881 ( -0.000 -5.046 9.934) 11.142 3.055 ( 0.000 6.909 -4.109) 8.039 3.258 ( 0.000 6.724 -0.031) 6.724 4.448 ( 0.000 3.727 -1.813) 4.145 5.788 ( 0.000 12.384 -1.121) 12.435 8.906 ( 0.000 12.446 -3.060) 12.816 9.282 ( -0.000 10.588 0.232) 10.590 10.695 ( -0.000 -5.413 4.412) 6.984 10.773 ( 0.000 0.145 -0.462) 0.484 11.899 ( -0.000 -22.428 1.370) 22.469 15.397 ( 0.000 4.539 -5.694) 7.282 ======================= Grid point 1361 (428/489) ======================= q-point: (-0.29 -0.35 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 6.587 2.174 0.403) 6.948 2.855 ( -0.061 -5.144 7.820) 9.360 3.124 ( 0.289 7.432 -0.325) 7.444 3.414 ( 10.970 4.717 0.008) 11.941 4.451 ( -2.068 1.462 -2.373) 3.471 5.874 ( -1.621 7.777 -1.449) 8.075 9.054 ( 1.010 15.451 1.724) 15.580 9.457 ( 8.140 7.775 0.614) 11.274 10.644 ( 0.030 -3.505 1.649) 3.874 10.748 ( -0.231 -6.561 -2.345) 6.971 11.752 ( 4.020 -13.383 2.126) 14.134 15.361 ( -6.800 3.471 -5.239) 9.260 ======================= Grid point 1378 (429/489) ======================= q-point: (-0.29 -0.29 -0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -0.000 1.211 0.602) 1.352 2.823 ( -0.000 -5.933 7.716) 9.734 3.205 ( -0.000 8.644 1.641) 8.799 3.350 ( -0.000 2.426 0.110) 2.428 4.469 ( 0.000 -0.154 -2.989) 2.993 5.942 ( 0.000 3.669 -1.747) 4.064 9.232 ( -0.000 17.992 7.251) 19.398 9.456 ( -0.000 5.683 2.401) 6.169 10.510 ( 0.000 -13.168 -4.794) 14.013 10.753 ( 0.000 -1.459 -2.401) 2.809 11.615 ( -0.000 -6.129 2.688) 6.693 15.435 ( 0.000 2.564 -5.534) 6.099 ======================= Grid point 1541 (430/489) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.000 0.000 17.177) 17.177 0.954 ( -0.000 0.000 17.177) 17.177 2.003 ( 0.000 -0.000 -5.835) 5.835 2.003 ( 0.000 -0.000 -5.835) 5.835 2.108 ( -0.000 0.000 40.539) 40.539 4.860 ( 0.000 -0.000 -19.212) 19.212 7.415 ( -0.000 0.000 2.722) 2.722 7.415 ( -0.000 0.000 2.722) 2.722 11.237 ( 0.000 -0.000 -1.540) 1.540 11.237 ( 0.000 -0.000 -1.540) 1.540 14.800 ( -0.000 0.000 1.294) 1.294 14.878 ( 0.000 -0.000 -0.709) 0.709 ======================= Grid point 1542 (431/489) ======================= q-point: ( 0.35 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 10.337 5.968 15.254) 19.368 1.382 ( 23.063 13.316 14.584) 30.363 2.021 ( 3.021 1.744 -5.803) 6.771 2.115 ( 10.846 6.262 -3.419) 12.982 2.314 ( 8.718 5.034 31.432) 33.004 4.535 ( -14.519 -8.382 -13.012) 21.222 7.481 ( 4.920 2.841 2.514) 6.213 8.319 ( 58.939 34.028 -13.060) 69.298 10.929 ( -23.303 -13.454 -2.620) 27.035 11.205 ( -2.399 -1.385 -1.523) 3.161 14.708 ( -7.965 -4.599 3.882) 9.983 14.925 ( 3.614 2.087 -3.713) 5.586 ======================= Grid point 1543 (432/489) ======================= q-point: ( 0.41 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 15.412 8.898 11.880) 21.397 1.851 ( 10.612 6.127 20.386) 23.785 2.108 ( 5.960 3.441 -5.831) 9.020 2.513 ( 23.862 13.777 -7.970) 28.683 2.718 ( 19.433 11.220 19.858) 29.964 4.251 ( -6.720 -3.880 -11.792) 14.116 7.656 ( 9.490 5.479 2.174) 11.172 9.430 ( 26.783 15.463 -2.116) 30.998 10.380 ( -10.724 -6.191 -17.510) 21.446 11.122 ( -4.191 -2.419 -1.488) 5.062 14.481 ( -12.954 -7.479 8.381) 17.146 14.972 ( 1.585 0.915 -8.019) 8.226 ======================= Grid point 1544 (433/489) ======================= q-point: ( 0.47 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 13.638 7.874 8.853) 18.066 2.084 ( 6.301 3.638 19.640) 20.945 2.270 ( 9.703 5.602 -5.266) 12.380 3.000 ( 17.497 10.102 -3.533) 20.510 3.309 ( 25.304 14.609 3.908) 29.479 4.168 ( 3.632 2.097 -7.931) 8.971 7.930 ( 13.411 7.743 1.822) 15.593 9.276 ( -23.404 -13.512 8.937) 28.464 10.640 ( 22.795 13.161 -24.841) 36.193 11.011 ( -4.787 -2.764 -1.413) 5.706 14.151 ( -18.130 -10.467 9.379) 22.939 14.966 ( 0.760 0.439 -7.584) 7.634 ======================= Grid point 1545 (434/489) ======================= q-point: ( 0.53 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( 8.775 5.066 4.553) 11.108 2.305 ( 8.261 4.769 16.074) 18.691 2.529 ( 13.130 7.580 -2.627) 15.387 3.253 ( 5.288 3.053 -7.950) 10.024 3.789 ( 15.995 9.235 -2.385) 18.623 4.449 ( 20.533 11.855 0.419) 23.714 8.280 ( 15.890 9.174 1.458) 18.406 8.816 ( -16.049 -9.266 5.816) 19.423 10.901 ( -4.115 -2.376 -1.220) 4.905 10.949 ( 9.168 5.293 -18.503) 21.318 13.686 ( -23.854 -13.772 6.056) 28.202 14.991 ( 2.965 1.712 -2.448) 4.209 ======================= Grid point 1546 (435/489) ======================= q-point: ( 0.59 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 6.125 3.536 1.558) 7.242 2.557 ( 9.247 5.339 12.744) 16.626 2.827 ( 12.346 7.128 -0.773) 14.277 3.246 ( -1.605 -0.927 -13.195) 13.325 4.097 ( 11.056 6.383 0.883) 12.797 4.976 ( 22.247 12.844 1.732) 25.747 8.599 ( -3.975 -2.295 4.712) 6.578 8.660 ( 16.095 9.292 0.929) 18.608 10.819 ( -2.566 -1.481 -0.769) 3.061 10.991 ( -0.203 -0.117 -14.659) 14.661 13.095 ( -27.496 -15.875 2.364) 31.837 15.086 ( 4.939 2.852 2.459) 6.211 ======================= Grid point 1547 (436/489) ======================= q-point: ( 0.65 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 4.486 2.590 0.248) 5.186 2.795 ( 7.965 4.598 9.708) 13.373 3.081 ( 9.410 5.433 -0.230) 10.868 3.141 ( -3.263 -1.884 -14.808) 15.280 4.307 ( 6.619 3.821 2.556) 8.059 5.445 ( 17.231 9.948 1.688) 19.968 8.648 ( 6.626 3.826 3.241) 8.310 9.013 ( 13.832 7.986 0.046) 15.971 10.777 ( -1.001 -0.578 0.074) 1.158 10.893 ( -4.302 -2.484 -10.586) 11.693 12.458 ( -26.701 -15.416 0.386) 30.834 15.219 ( 5.188 2.995 4.954) 7.774 ======================= Grid point 1548 (437/489) ======================= q-point: ( 0.71 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 2.841 1.640 -0.349) 3.299 2.937 ( -0.677 -0.391 -0.470) 0.913 3.063 ( 3.385 1.954 -7.374) 8.346 3.258 ( 5.846 3.375 -0.112) 6.751 4.426 ( 3.030 1.749 2.908) 4.549 5.776 ( 10.601 6.120 1.695) 12.358 8.894 ( 13.443 7.761 -0.440) 15.528 9.289 ( 9.814 5.666 -1.182) 11.393 10.735 ( -7.508 -4.335 -4.345) 9.698 10.765 ( -0.462 -0.267 1.257) 1.366 11.909 ( -19.149 -11.056 -0.878) 22.128 15.345 ( 4.042 2.334 5.678) 7.350 ======================= Grid point 1559 (438/489) ======================= q-point: ( 0.35 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.000 14.979 12.542) 19.537 1.353 ( -0.000 26.674 14.418) 30.322 1.995 ( 0.000 3.024 -6.472) 7.144 2.113 ( 0.000 13.821 -5.779) 14.981 2.401 ( -0.000 6.360 33.615) 34.211 4.494 ( 0.000 -16.052 -14.040) 21.325 7.488 ( -0.000 5.798 2.372) 6.265 8.275 ( 0.000 64.802 -10.239) 65.606 10.955 ( 0.000 -23.424 -3.663) 23.709 11.194 ( 0.000 -3.149 -1.304) 3.408 14.706 ( -0.000 -10.468 4.014) 11.211 14.914 ( 0.000 3.797 -3.353) 5.065 ======================= Grid point 1560 (439/489) ======================= q-point: ( 0.41 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 4.452 18.494 11.328) 22.140 1.810 ( 11.694 17.056 16.312) 26.338 2.050 ( 3.913 5.040 -6.531) 9.131 2.351 ( 10.872 20.085 -7.740) 24.114 2.657 ( 9.080 12.358 24.556) 28.951 4.261 ( -4.932 -8.541 -12.713) 16.091 7.611 ( 4.858 8.780 2.062) 10.244 9.153 ( 27.492 43.916 -7.179) 52.306 10.512 ( -17.027 -20.294 -10.241) 28.401 11.141 ( -1.693 -3.884 -1.387) 4.458 14.550 ( -5.251 -13.885 7.313) 16.548 14.950 ( 0.781 3.158 -6.647) 7.401 ======================= Grid point 1561 (440/489) ======================= q-point: ( 0.47 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 8.232 16.407 9.778) 20.798 2.095 ( 4.712 6.104 16.065) 17.820 2.198 ( 6.425 9.522 -4.128) 12.206 2.803 ( 17.221 17.298 -6.124) 25.165 3.113 ( 18.079 18.453 10.416) 27.854 4.124 ( -0.148 -0.430 -10.133) 10.143 7.843 ( 8.946 11.841 1.810) 14.951 9.502 ( -14.020 -14.582 11.407) 23.223 10.363 ( 16.103 18.874 -25.776) 35.776 11.053 ( -3.467 -3.339 -1.616) 5.078 14.288 ( -10.366 -16.544 8.871) 21.444 14.955 ( -0.418 2.380 -7.887) 8.249 ======================= Grid point 1562 (441/489) ======================= q-point: ( 0.53 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 5.813 11.347 5.991) 14.087 2.287 ( 5.760 6.121 14.698) 16.931 2.442 ( 9.163 14.092 -2.454) 16.988 3.146 ( 9.088 5.938 -6.062) 12.434 3.613 ( 16.151 14.164 -0.963) 21.503 4.266 ( 13.721 11.737 -2.251) 18.196 8.164 ( 11.862 14.414 1.672) 18.742 9.024 ( -18.442 -14.924 6.627) 24.632 10.761 ( 13.730 10.132 -17.039) 24.114 10.951 ( -4.184 -2.206 -1.874) 5.088 13.898 ( -16.867 -18.687 6.196) 25.925 14.960 ( 1.218 2.129 -4.098) 4.776 ======================= Grid point 1563 (442/489) ======================= q-point: ( 0.59 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 3.587 9.018 2.237) 9.960 2.510 ( 7.384 6.520 13.032) 16.336 2.757 ( 9.267 15.549 -0.568) 18.110 3.210 ( 0.405 -1.039 -11.275) 11.330 3.968 ( 12.273 9.064 -0.166) 15.258 4.741 ( 21.084 15.780 1.017) 26.355 8.539 ( 12.500 15.242 1.643) 19.781 8.692 ( -8.679 -5.661 5.632) 11.793 10.856 ( -3.448 -1.800 -3.101) 4.975 10.922 ( 3.823 2.284 -11.816) 12.627 13.369 ( -22.830 -19.285 2.127) 29.960 15.023 ( 4.507 1.074 1.135) 4.770 ======================= Grid point 1564 (443/489) ======================= q-point: ( 0.65 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 2.040 8.358 0.614) 8.625 2.740 ( 7.451 5.522 10.894) 14.307 3.049 ( 6.452 14.522 -0.139) 15.892 3.128 ( -2.461 -2.116 -13.357) 13.745 4.223 ( 8.508 5.039 1.605) 10.018 5.243 ( 18.840 12.254 1.165) 22.504 8.618 ( 1.540 1.371 5.483) 5.858 8.922 ( 11.117 15.858 1.162) 19.402 10.773 ( -1.734 -3.639 -4.066) 5.725 10.919 ( -2.147 2.012 -7.604) 8.153 12.756 ( -25.538 -17.606 -0.344) 31.021 15.135 ( 6.771 -0.749 4.325) 8.069 ======================= Grid point 1565 (444/489) ======================= q-point: ( 0.71 0.35 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.393 7.734 -0.091) 7.744 2.924 ( 3.707 1.712 7.500) 8.539 3.021 ( -0.818 -0.014 -13.085) 13.111 3.275 ( 2.674 13.524 0.121) 13.786 4.379 ( 5.017 1.596 2.194) 5.703 5.633 ( 13.836 7.398 1.294) 15.743 8.773 ( 9.170 6.565 3.446) 11.792 9.241 ( 7.436 14.176 0.391) 16.013 10.700 ( 0.403 -5.589 -4.573) 7.233 10.861 ( -5.919 3.079 -2.346) 7.072 12.166 ( -22.932 -12.581 -1.208) 26.184 15.258 ( 7.302 -2.622 5.382) 9.443 ======================= Grid point 1577 (445/489) ======================= q-point: ( 0.41 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -0.000 18.084 8.837) 20.128 1.956 ( -0.000 19.954 15.695) 25.387 2.044 ( 0.000 6.064 -7.284) 9.478 2.467 ( 0.000 24.850 -7.880) 26.069 2.795 ( -0.000 16.871 21.844) 27.601 4.177 ( 0.000 -7.228 -12.336) 14.298 7.675 ( -0.000 11.499 1.601) 11.610 9.366 ( -0.000 38.759 0.609) 38.764 10.412 ( 0.000 -18.080 -17.784) 25.361 11.100 ( 0.000 -5.340 -0.827) 5.404 14.456 ( -0.000 -17.846 8.912) 19.948 14.962 ( 0.000 4.211 -7.272) 8.403 ======================= Grid point 1578 (446/489) ======================= q-point: ( 0.47 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 4.307 16.867 8.659) 19.443 2.127 ( 3.530 8.720 -1.830) 9.584 2.207 ( 4.256 11.440 9.184) 15.275 2.766 ( 7.586 22.093 -5.663) 24.036 3.124 ( 8.263 22.629 11.287) 26.603 4.092 ( 0.004 0.094 -9.714) 9.714 7.856 ( 5.267 14.309 1.231) 15.298 9.562 ( -5.826 -13.127 11.764) 18.565 10.305 ( 4.895 19.062 -25.915) 32.540 11.040 ( -0.500 -5.185 -1.060) 5.316 14.253 ( -4.416 -20.718 9.955) 23.406 14.976 ( -0.804 4.261 -8.310) 9.373 ======================= Grid point 1579 (447/489) ======================= q-point: ( 0.53 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 4.621 11.244 5.424) 13.312 2.314 ( 4.451 10.187 7.892) 13.634 2.442 ( 7.949 14.856 0.559) 16.859 3.056 ( 7.188 9.373 -4.643) 12.691 3.538 ( 10.946 18.943 0.507) 21.884 4.193 ( 8.024 13.117 -3.009) 15.668 8.148 ( 9.296 17.219 1.184) 19.604 9.167 ( -15.148 -19.255 4.116) 24.843 10.617 ( 10.847 14.822 -13.821) 22.986 10.971 ( -1.736 -3.723 -1.558) 4.393 13.939 ( -9.747 -22.880 7.953) 26.110 14.973 ( -1.139 3.646 -6.432) 7.481 ======================= Grid point 1580 (448/489) ======================= q-point: ( 0.59 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 3.728 10.472 2.139) 11.320 2.512 ( 4.917 8.272 10.409) 14.176 2.776 ( 9.379 18.846 -0.402) 21.054 3.150 ( 1.668 -0.465 -8.475) 8.650 3.875 ( 10.140 12.594 -0.678) 16.183 4.589 ( 16.154 19.208 0.558) 25.104 8.518 ( 11.004 19.047 1.419) 22.043 8.799 ( -10.091 -9.383 3.196) 14.145 10.808 ( 3.962 1.382 -10.245) 11.071 10.912 ( -0.790 0.735 -0.799) 1.343 13.501 ( -15.704 -23.144 3.710) 28.214 14.982 ( 0.937 1.405 -1.924) 2.560 ======================= Grid point 1581 (449/489) ======================= q-point: ( 0.65 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 1.876 11.269 0.601) 11.440 2.717 ( 6.016 6.797 9.999) 13.505 3.091 ( -0.022 1.644 -8.929) 9.079 3.121 ( 5.598 14.769 -1.715) 15.887 4.139 ( 8.247 7.459 0.772) 11.146 5.064 ( 16.994 15.106 0.600) 22.745 8.643 ( -1.724 -0.489 4.518) 4.860 8.926 ( 10.428 19.967 1.531) 22.578 10.741 ( -2.225 -6.059 -6.462) 9.133 10.961 ( 0.389 5.737 -2.778) 6.386 12.966 ( -20.266 -20.816 -0.013) 29.052 15.025 ( 4.288 -2.213 2.117) 5.270 ======================= Grid point 1582 (450/489) ======================= q-point: ( 0.71 0.41 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -0.248 11.513 -0.051) 11.516 2.904 ( 4.806 3.828 10.160) 11.873 2.999 ( -1.947 -1.497 -13.136) 13.363 3.401 ( 3.120 19.115 0.426) 19.372 4.311 ( 5.322 2.696 1.242) 6.094 5.464 ( 14.571 8.767 0.681) 17.019 8.724 ( 5.487 6.023 4.820) 9.466 9.288 ( 7.504 18.612 1.599) 20.131 10.620 ( -0.972 -7.488 -5.364) 9.262 10.997 ( -3.719 7.741 -1.759) 8.766 12.410 ( -20.985 -15.496 -1.960) 26.160 15.095 ( 7.155 -5.806 4.164) 10.112 ======================= Grid point 1595 (451/489) ======================= q-point: ( 0.47 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -0.000 11.623 6.934) 13.534 2.175 ( 0.000 13.865 -7.736) 15.877 2.322 ( -0.000 10.033 11.864) 15.538 2.906 ( 0.000 18.663 -3.828) 19.052 3.328 ( -0.000 25.121 5.877) 25.799 4.092 ( 0.000 6.914 -6.346) 9.384 7.963 ( -0.000 16.186 0.392) 16.191 9.473 ( -0.000 -22.542 5.511) 23.206 10.405 ( 0.000 22.812 -18.842) 29.587 10.980 ( 0.000 -6.015 -0.063) 6.016 14.099 ( -0.000 -23.675 10.687) 25.975 15.009 ( 0.000 5.569 -8.668) 10.303 ======================= Grid point 1596 (452/489) ======================= q-point: ( 0.53 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 4.080 7.375 2.263) 8.726 2.379 ( 4.819 16.177 -0.061) 16.879 2.474 ( 3.879 11.006 5.657) 12.968 3.060 ( 2.035 8.410 -3.788) 9.445 3.613 ( 4.064 20.728 -0.159) 21.123 4.241 ( 4.033 19.122 -0.930) 19.564 8.190 ( 6.144 18.146 -0.012) 19.158 9.173 ( -7.857 -20.407 -1.675) 21.932 10.605 ( 4.232 14.588 -8.186) 17.254 10.929 ( 0.596 -5.153 -0.234) 5.193 13.840 ( -4.455 -26.039 9.316) 28.012 15.026 ( -1.732 5.614 -7.872) 9.823 ======================= Grid point 1597 (453/489) ======================= q-point: ( 0.59 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 6.417 8.022 1.197) 10.343 2.567 ( 2.451 9.818 5.749) 11.638 2.779 ( 11.216 17.569 -0.384) 20.848 3.106 ( 0.478 -0.120 -5.394) 5.417 3.877 ( 5.557 15.389 -0.775) 16.380 4.585 ( 9.114 23.623 0.895) 25.335 8.530 ( 10.312 19.689 0.102) 22.226 8.856 ( -7.751 -11.039 -2.527) 13.723 10.748 ( 2.537 2.919 -4.075) 5.618 10.903 ( 1.441 -1.269 0.073) 1.921 13.478 ( -9.084 -26.771 5.955) 28.891 15.014 ( -2.661 3.681 -5.128) 6.851 ======================= Grid point 1598 (454/489) ======================= q-point: ( 0.65 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( 5.819 9.860 0.584) 11.464 2.729 ( 3.831 8.065 5.804) 10.649 3.060 ( -0.992 -3.195 -6.077) 6.937 3.158 ( 10.514 18.696 -0.270) 21.452 4.105 ( 5.713 10.091 0.168) 11.597 4.987 ( 11.072 19.045 0.428) 22.033 8.680 ( -2.391 -1.488 -0.042) 2.816 8.946 ( 11.385 20.455 0.285) 23.412 10.704 ( -2.612 -6.104 -2.907) 7.248 10.982 ( 3.684 5.505 -0.193) 6.627 13.033 ( -13.279 -24.698 2.029) 28.114 14.984 ( -1.386 -0.288 -1.412) 1.999 ======================= Grid point 1599 (455/489) ======================= q-point: ( 0.71 0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 2.630 11.722 -0.332) 12.018 2.892 ( 4.765 5.464 5.865) 9.325 2.980 ( -2.045 -2.906 -6.435) 7.351 3.510 ( 7.519 19.138 0.258) 20.563 4.269 ( 4.080 5.030 0.375) 6.487 5.335 ( 10.928 11.234 0.168) 15.674 8.718 ( 3.690 5.876 2.295) 7.308 9.337 ( 9.506 19.043 0.895) 21.302 10.564 ( -3.395 -8.262 -2.445) 9.261 11.108 ( 1.600 9.605 -0.590) 9.755 12.553 ( -15.678 -19.369 -1.105) 24.944 14.959 ( 1.905 -5.210 1.662) 5.791 ======================= Grid point 1613 (456/489) ======================= q-point: ( 0.53 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 0.000 6.298 -0.149) 6.300 2.500 ( 0.000 17.658 -1.287) 17.705 2.556 ( -0.000 8.794 4.607) 9.928 3.094 ( 0.000 2.813 -3.391) 4.406 3.783 ( 0.000 19.019 -0.839) 19.037 4.435 ( -0.000 25.824 1.087) 25.846 8.316 ( 0.000 18.667 -0.945) 18.691 9.031 ( 0.000 -17.220 -7.214) 18.670 10.682 ( 0.000 9.336 -1.436) 9.446 10.869 ( -0.000 -4.912 0.824) 4.980 13.631 ( -0.000 -28.580 8.738) 29.886 15.083 ( 0.000 6.736 -7.982) 10.445 ======================= Grid point 1614 (457/489) ======================= q-point: ( 0.59 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 5.282 6.421 -0.277) 8.319 2.648 ( 0.817 9.907 1.335) 10.030 2.761 ( 8.776 15.420 -0.145) 17.744 3.087 ( -0.279 -1.662 -2.323) 2.870 3.974 ( 1.671 15.792 -0.511) 15.888 4.740 ( 3.297 26.738 1.070) 26.961 8.566 ( 7.023 18.984 -1.219) 20.278 8.829 ( -3.272 -9.773 -8.367) 13.275 10.750 ( -0.165 1.530 2.363) 2.820 10.850 ( 2.450 -1.894 1.283) 3.353 13.324 ( -3.917 -29.776 6.500) 30.728 15.100 ( -3.062 6.036 -6.778) 9.579 ======================= Grid point 1615 (458/489) ======================= q-point: ( 0.65 0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 8.601 7.060 0.180) 11.129 2.773 ( 2.331 8.823 -0.120) 9.127 3.032 ( -0.109 -2.651 0.837) 2.782 3.124 ( 11.938 14.735 -1.278) 19.007 4.144 ( 2.258 11.100 -0.285) 11.330 5.065 ( 4.644 22.420 0.327) 22.898 8.690 ( -1.384 -1.093 -5.575) 5.847 8.939 ( 11.724 19.116 -1.399) 22.468 10.699 ( -3.422 -5.128 2.380) 6.608 10.940 ( 5.813 2.887 1.857) 6.751 12.949 ( -6.947 -28.328 3.669) 29.397 15.055 ( -5.461 3.327 -4.477) 7.806 ======================= Grid point 1631 (459/489) ======================= q-point: ( 0.59 0.59 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.000 5.840 -0.695) 5.881 2.741 ( 0.000 8.805 -2.041) 9.039 2.823 ( 0.000 14.670 -0.335) 14.673 3.062 ( -0.000 -3.533 1.561) 3.862 4.112 ( 0.000 13.865 -0.437) 13.871 4.987 ( -0.000 26.272 0.515) 26.277 8.684 ( 0.000 18.244 -1.627) 18.316 8.744 ( 0.000 -5.406 -10.534) 11.840 10.787 ( -0.000 0.338 6.999) 7.007 10.800 ( -0.000 -2.607 1.265) 2.897 13.064 ( -0.000 -31.524 5.163) 31.944 15.177 ( 0.000 6.860 -6.866) 9.705 ======================= Grid point 1632 (460/489) ======================= q-point: (-0.35 -0.41 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 6.094 5.609 -0.311) 8.289 2.823 ( 0.933 8.773 -5.015) 10.148 3.018 ( 0.683 -1.184 6.396) 6.540 3.061 ( 8.236 9.779 -0.526) 12.796 4.235 ( 0.063 10.290 -0.798) 10.321 5.249 ( 1.156 22.689 -0.208) 22.719 8.682 ( -0.409 1.368 -8.420) 8.540 8.935 ( 8.348 17.289 -1.677) 19.271 10.730 ( -3.733 -3.456 4.799) 6.994 10.867 ( 5.012 0.062 4.144) 6.504 12.739 ( -2.298 -30.721 3.265) 30.980 15.182 ( -4.667 5.804 -5.898) 9.500 ======================= Grid point 1649 (461/489) ======================= q-point: (-0.35 -0.35 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.000 4.837 -0.193) 4.841 2.884 ( 0.000 8.338 -8.463) 11.881 3.014 ( -0.000 -4.656 11.762) 12.650 3.080 ( 0.000 10.896 -0.042) 10.896 4.326 ( 0.000 8.074 -1.536) 8.219 5.457 ( 0.000 20.083 -0.867) 20.102 8.695 ( 0.000 5.993 -7.137) 9.320 9.018 ( 0.000 15.419 -0.847) 15.442 10.775 ( -0.000 -0.643 0.546) 0.844 10.804 ( -0.000 -3.403 8.908) 9.536 12.451 ( -0.000 -30.630 1.869) 30.687 15.270 ( 0.000 6.172 -6.062) 8.651 ======================= Grid point 1849 (462/489) ======================= q-point: ( 0.35 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.000 0.000 14.332) 14.332 1.098 ( -0.000 0.000 14.332) 14.332 1.948 ( 0.000 -0.000 -6.093) 6.093 1.948 ( 0.000 -0.000 -6.093) 6.093 2.455 ( -0.000 0.000 35.134) 35.134 4.680 ( 0.000 -0.000 -19.833) 19.833 7.438 ( -0.000 0.000 2.276) 2.276 7.438 ( -0.000 0.000 2.276) 2.276 11.224 ( 0.000 -0.000 -1.292) 1.292 11.224 ( 0.000 -0.000 -1.292) 1.292 14.812 ( -0.000 0.000 1.364) 1.364 14.871 ( 0.000 -0.000 -0.879) 0.879 ======================= Grid point 1850 (463/489) ======================= q-point: ( 0.41 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 9.527 5.500 13.425) 17.356 1.503 ( 23.969 13.839 11.830) 30.099 1.967 ( 3.035 1.752 -5.953) 6.908 2.061 ( 10.984 6.342 -6.734) 14.360 2.602 ( 4.726 2.729 29.520) 30.020 4.405 ( -12.724 -7.346 -14.970) 20.975 7.502 ( 4.864 2.808 1.969) 5.952 8.228 ( 54.700 31.581 -7.198) 63.571 10.909 ( -24.486 -14.137 -1.649) 28.322 11.192 ( -2.423 -1.399 -1.257) 3.067 14.741 ( -6.297 -3.635 3.441) 8.044 14.893 ( 1.747 1.009 -3.355) 3.915 ======================= Grid point 1851 (464/489) ======================= q-point: ( 0.47 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 14.520 8.383 11.520) 20.343 2.021 ( 12.390 7.153 16.917) 22.156 2.052 ( 5.946 3.433 -6.214) 9.260 2.433 ( 24.021 13.868 -9.515) 29.323 2.893 ( 14.507 8.375 17.739) 24.398 4.140 ( -5.878 -3.393 -12.024) 13.807 7.674 ( 9.437 5.448 1.660) 11.022 9.414 ( 39.139 22.597 -1.415) 45.216 10.254 ( -23.331 -13.470 -10.158) 28.792 11.109 ( -4.214 -2.433 -1.240) 5.021 14.548 ( -11.803 -6.815 6.062) 14.916 14.906 ( 0.715 0.413 -6.275) 6.329 ======================= Grid point 1852 (465/489) ======================= q-point: ( 0.53 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 12.084 6.977 9.244) 16.738 2.219 ( 10.558 6.096 -5.809) 13.505 2.249 ( 5.785 3.340 16.103) 17.434 2.952 ( 18.496 10.678 -6.282) 22.262 3.349 ( 20.041 11.571 4.361) 23.549 4.100 ( 6.712 3.875 -6.582) 10.168 7.946 ( 13.371 7.720 1.504) 15.513 9.364 ( -25.675 -14.823 10.149) 31.336 10.440 ( 25.475 14.708 -18.656) 34.833 10.998 ( -4.789 -2.765 -1.256) 5.671 14.213 ( -18.546 -10.707 4.163) 21.816 14.914 ( 1.950 1.126 -3.558) 4.211 ======================= Grid point 1853 (466/489) ======================= q-point: ( 0.59 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 7.158 4.133 3.931) 9.153 2.445 ( 7.394 4.269 13.941) 16.348 2.508 ( 14.220 8.210 -1.912) 16.531 3.172 ( 3.202 1.849 -9.117) 9.838 3.777 ( 16.257 9.386 -0.490) 18.779 4.450 ( 21.985 12.693 -0.317) 25.388 8.293 ( 15.801 9.123 1.480) 18.306 8.880 ( -16.710 -9.647 7.945) 20.866 10.802 ( 9.974 5.758 -13.506) 17.750 10.889 ( -4.041 -2.333 -1.253) 4.832 13.715 ( -24.605 -14.206 0.330) 28.414 14.988 ( 4.517 2.608 1.739) 5.498 ======================= Grid point 1854 (467/489) ======================= q-point: ( 0.65 0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 5.473 3.160 1.228) 6.438 2.670 ( 8.307 4.796 11.425) 14.918 2.822 ( 12.612 7.282 -0.254) 14.566 3.131 ( -2.660 -1.536 -11.431) 11.836 4.106 ( 11.783 6.803 0.846) 13.633 4.987 ( 22.463 12.969 0.588) 25.944 8.658 ( -4.613 -2.663 8.129) 9.719 8.670 ( 15.849 9.150 1.366) 18.351 10.810 ( -2.335 -1.348 -1.086) 2.907 10.871 ( 0.480 0.277 -11.329) 11.343 13.097 ( -27.708 -15.997 -1.809) 32.046 15.121 ( 5.728 3.307 5.096) 8.349 ======================= Grid point 1867 (468/489) ======================= q-point: ( 0.41 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.000 13.726 9.258) 16.556 1.477 ( -0.000 26.757 12.596) 29.574 1.937 ( 0.000 2.765 -5.931) 6.543 2.055 ( 0.000 13.376 -6.417) 14.835 2.683 ( -0.000 3.807 27.481) 27.743 4.359 ( 0.000 -14.086 -14.650) 20.324 7.507 ( -0.000 5.704 1.732) 5.961 8.205 ( 0.000 61.146 -5.415) 61.385 10.926 ( 0.000 -25.969 -2.622) 26.101 11.184 ( 0.000 -3.082 -0.892) 3.209 14.740 ( -0.000 -8.307 3.599) 9.053 14.885 ( 0.000 1.925 -3.043) 3.600 ======================= Grid point 1868 (469/489) ======================= q-point: ( 0.47 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 5.267 17.213 9.258) 20.242 1.949 ( 13.493 19.142 14.004) 27.287 1.991 ( 3.866 4.436 -6.061) 8.447 2.273 ( 9.984 19.451 -9.289) 23.755 2.862 ( 5.995 8.850 19.555) 22.286 4.145 ( -4.460 -7.728 -11.871) 14.850 7.627 ( 4.873 8.682 1.366) 10.050 9.102 ( 29.636 49.329 -4.136) 57.696 10.439 ( -19.084 -27.513 -5.890) 33.998 11.130 ( -1.863 -3.872 -0.900) 4.390 14.610 ( -4.854 -12.010 5.701) 14.153 14.894 ( 0.009 1.784 -5.326) 5.617 ======================= Grid point 1869 (470/489) ======================= q-point: ( 0.53 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 8.043 15.376 9.618) 19.839 2.122 ( 7.065 7.659 -5.907) 11.977 2.256 ( 4.955 7.146 11.991) 14.812 2.742 ( 18.353 19.215 -6.474) 27.348 3.200 ( 13.688 14.266 7.902) 21.291 4.040 ( 1.414 1.303 -7.692) 7.929 7.857 ( 9.015 11.802 1.183) 14.898 9.615 ( -16.867 -18.403 12.857) 28.079 10.152 ( 19.810 22.575 -20.025) 36.097 11.041 ( -3.574 -3.487 -1.026) 5.097 14.351 ( -11.173 -15.667 4.520) 19.767 14.897 ( 0.450 2.085 -4.325) 4.822 ======================= Grid point 1870 (471/489) ======================= q-point: ( 0.59 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 4.362 9.362 4.714) 11.353 2.374 ( 9.916 10.055 2.262) 14.302 2.452 ( 6.673 10.600 6.165) 13.960 3.086 ( 7.408 5.272 -6.257) 11.037 3.610 ( 14.934 12.982 0.094) 19.788 4.248 ( 15.631 13.555 -1.569) 20.749 8.178 ( 11.942 14.437 1.264) 18.778 9.086 ( -18.300 -16.492 6.820) 25.561 10.633 ( 14.048 11.661 -10.582) 21.102 10.938 ( -4.189 -2.358 -1.098) 4.930 13.929 ( -18.326 -18.229 0.422) 25.852 14.943 ( 3.228 2.108 0.421) 3.879 ======================= Grid point 1871 (472/489) ======================= q-point: ( 0.65 0.41 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 3.034 8.302 1.382) 8.947 2.613 ( 7.746 5.967 8.540) 12.982 2.757 ( 9.234 15.725 0.539) 18.243 3.117 ( -0.999 -1.548 -7.972) 8.182 3.969 ( 12.824 9.367 0.369) 15.885 4.745 ( 21.368 16.030 -0.090) 26.712 8.554 ( 12.626 15.514 1.511) 20.059 8.754 ( -8.275 -6.894 7.723) 13.253 10.798 ( 1.497 -0.749 -7.610) 7.792 10.865 ( -1.417 2.135 -2.380) 3.497 13.366 ( -23.633 -18.909 -2.597) 30.377 15.049 ( 5.979 0.835 4.377) 7.457 ======================= Grid point 1885 (473/489) ======================= q-point: ( 0.47 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -0.000 18.229 4.953) 18.890 1.983 ( 0.000 5.150 -5.382) 7.449 2.091 ( -0.000 19.988 13.877) 24.333 2.389 ( 0.000 25.650 -9.196) 27.249 2.970 ( -0.000 12.532 15.513) 19.942 4.072 ( 0.000 -6.104 -9.828) 11.570 7.687 ( -0.000 11.254 0.843) 11.286 9.376 ( -0.000 49.515 1.417) 49.536 10.278 ( 0.000 -30.050 -11.522) 32.183 11.095 ( 0.000 -5.198 -0.298) 5.206 14.530 ( -0.000 -15.907 7.033) 17.393 14.902 ( 0.000 2.728 -5.730) 6.346 ======================= Grid point 1886 (474/489) ======================= q-point: ( 0.53 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 5.152 17.395 7.076) 19.473 2.070 ( 5.321 7.881 -7.069) 11.849 2.303 ( 2.558 9.571 8.239) 12.885 2.715 ( 8.118 24.684 -4.586) 26.386 3.212 ( 6.083 17.530 7.251) 19.922 4.018 ( 0.683 2.292 -5.868) 6.337 7.864 ( 5.436 14.053 0.448) 15.074 9.670 ( -8.552 -21.698 10.631) 25.631 10.099 ( 8.748 27.375 -18.000) 33.911 11.034 ( -0.864 -5.121 -0.293) 5.202 14.329 ( -5.148 -19.561 6.515) 21.251 14.911 ( -0.407 3.459 -5.521) 6.527 ======================= Grid point 1887 (475/489) ======================= q-point: ( 0.59 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 4.174 8.623 2.433) 9.884 2.341 ( 8.964 15.407 -0.055) 17.825 2.470 ( 5.389 10.615 3.188) 12.325 3.020 ( 6.066 9.227 -2.498) 11.322 3.543 ( 9.672 16.798 0.370) 19.387 4.174 ( 9.097 15.441 -1.116) 17.956 8.155 ( 9.605 17.027 0.411) 19.554 9.194 ( -14.225 -22.010 1.657) 26.259 10.529 ( 10.911 17.348 -5.044) 21.106 10.962 ( -1.969 -3.684 -0.446) 4.202 13.989 ( -11.472 -22.084 2.852) 25.049 14.932 ( 0.583 3.100 -2.377) 3.949 ======================= Grid point 1888 (476/489) ======================= q-point: ( 0.65 0.47 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 3.500 9.840 0.533) 10.457 2.579 ( 6.301 7.997 3.389) 10.731 2.776 ( 9.520 18.571 0.283) 20.871 3.094 ( 0.073 -0.768 -2.927) 3.027 3.873 ( 10.504 12.712 0.144) 16.491 4.590 ( 16.181 19.613 -0.212) 25.427 8.527 ( 11.408 18.987 0.700) 22.162 8.829 ( -8.286 -11.100 3.252) 14.228 10.745 ( 3.023 2.820 -3.398) 5.351 10.906 ( -1.253 0.735 -0.502) 1.537 13.512 ( -17.386 -22.337 -1.322) 28.337 14.982 ( 2.985 0.626 1.803) 3.543 ======================= Grid point 1903 (477/489) ======================= q-point: ( 0.53 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.000 6.060 -2.100) 6.413 2.120 ( -0.000 19.327 0.153) 19.328 2.393 ( -0.000 8.526 2.821) 8.980 2.880 ( 0.000 20.187 -0.861) 20.205 3.371 ( -0.000 20.304 2.995) 20.524 4.051 ( 0.000 9.924 -2.229) 10.171 7.963 ( 0.000 15.815 -0.314) 15.819 9.495 ( 0.000 -29.606 -1.133) 29.628 10.292 ( 0.000 29.841 -5.341) 30.315 10.982 ( -0.000 -5.792 0.462) 5.811 14.181 ( -0.000 -23.029 7.135) 24.109 14.941 ( 0.000 4.857 -5.989) 7.711 ======================= Grid point 1904 (478/489) ======================= q-point: ( 0.59 0.53 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 4.733 6.718 -1.608) 8.374 2.374 ( 6.239 17.687 0.090) 18.756 2.499 ( 3.005 9.290 -1.587) 9.892 3.047 ( 1.459 7.950 1.584) 8.236 3.612 ( 3.701 19.266 -0.185) 19.619 4.238 ( 4.206 20.852 0.435) 21.276 8.187 ( 6.388 17.792 -0.687) 18.917 9.142 ( -6.700 -23.202 -5.020) 24.666 10.575 ( 3.972 17.307 1.720) 17.840 10.930 ( 0.226 -4.930 0.531) 4.964 13.907 ( -5.420 -25.720 5.029) 26.761 14.968 ( -0.883 5.065 -4.756) 7.004 ======================= Grid point 1921 (479/489) ======================= q-point: (-0.41 -0.41 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 0.000 6.743 -2.373) 7.148 2.496 ( -0.000 17.480 0.527) 17.488 2.545 ( 0.000 8.587 -6.950) 11.048 3.102 ( -0.000 2.327 5.137) 5.640 3.777 ( 0.000 18.898 -0.368) 18.902 4.444 ( -0.000 26.133 0.828) 26.146 8.306 ( 0.000 18.356 -1.303) 18.402 8.957 ( 0.000 -18.990 -8.613) 20.852 10.708 ( -0.000 11.232 6.880) 13.171 10.878 ( -0.000 -4.721 1.116) 4.851 13.694 ( -0.000 -28.763 4.761) 29.154 15.021 ( 0.000 6.345 -5.439) 8.357 ======================= Grid point 2158 (480/489) ======================= q-point: ( 0.41 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.000 0.000 10.128) 10.128 1.211 ( -0.000 0.000 10.128) 10.128 1.895 ( 0.000 -0.000 -5.132) 5.132 1.895 ( 0.000 -0.000 -5.132) 5.132 2.737 ( -0.000 0.000 25.862) 25.862 4.510 ( 0.000 -0.000 -16.657) 16.657 7.455 ( -0.000 0.000 1.510) 1.510 7.455 ( -0.000 0.000 1.510) 1.510 11.214 ( 0.000 -0.000 -0.860) 0.860 11.214 ( 0.000 -0.000 -0.860) 0.860 14.824 ( -0.000 0.000 1.323) 1.323 14.862 ( 0.000 -0.000 -1.003) 1.003 ======================= Grid point 2159 (481/489) ======================= q-point: ( 0.47 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 9.496 5.483 9.913) 14.782 1.592 ( 24.967 14.415 7.186) 29.711 1.916 ( 2.866 1.655 -4.860) 5.880 2.004 ( 9.955 5.747 -5.299) 12.657 2.832 ( 2.694 1.555 19.844) 20.087 4.277 ( -11.365 -6.562 -11.961) 17.756 7.516 ( 4.836 2.792 1.147) 5.701 8.181 ( 51.962 30.000 -3.347) 60.094 10.899 ( -24.909 -14.381 -0.633) 28.770 11.183 ( -2.468 -1.425 -0.810) 2.963 14.770 ( -5.135 -2.965 2.663) 6.500 14.864 ( 0.347 0.200 -2.718) 2.747 ======================= Grid point 2160 (482/489) ======================= q-point: ( 0.53 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 14.501 8.372 9.550) 19.276 1.997 ( 5.487 3.168 -5.534) 8.412 2.158 ( 12.317 7.111 12.783) 19.123 2.342 ( 25.939 14.976 -9.991) 31.574 3.025 ( 10.738 6.199 10.182) 16.044 4.045 ( -4.944 -2.854 -7.754) 9.629 7.686 ( 9.466 5.465 0.913) 10.968 9.402 ( 47.198 27.250 -1.264) 54.514 10.195 ( -31.520 -18.198 -2.760) 36.501 11.100 ( -4.280 -2.471 -0.816) 5.009 14.586 ( -11.772 -6.797 1.993) 13.739 14.863 ( 0.727 0.420 -2.633) 2.764 ======================= Grid point 2161 (483/489) ======================= q-point: ( 0.59 0.41 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 10.119 5.842 8.957) 14.722 2.164 ( 12.059 6.963 -6.096) 15.201 2.366 ( 6.145 3.548 8.613) 11.159 2.899 ( 18.506 10.684 -4.673) 21.873 3.378 ( 16.958 9.791 1.486) 19.638 4.055 ( 8.886 5.130 -2.940) 10.674 7.957 ( 13.470 7.777 0.978) 15.585 9.451 ( -27.514 -15.885 8.028) 32.769 10.311 ( 27.557 15.910 -8.934) 33.051 10.988 ( -4.869 -2.811 -0.924) 5.698 14.224 ( -19.318 -11.153 -1.920) 22.389 14.905 ( 3.266 1.886 1.596) 4.095 ======================= Grid point 2176 (484/489) ======================= q-point: ( 0.47 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.000 12.745 3.631) 13.252 1.576 ( -0.000 27.879 8.650) 29.190 1.893 ( 0.000 2.601 -3.160) 4.093 2.001 ( 0.000 12.115 -4.913) 13.074 2.884 ( -0.000 2.405 15.243) 15.432 4.244 ( 0.000 -12.783 -9.400) 15.867 7.519 ( -0.000 5.630 0.846) 5.694 8.172 ( 0.000 59.056 -2.140) 59.094 10.907 ( 0.000 -27.620 -1.554) 27.663 11.178 ( 0.000 -3.002 -0.350) 3.023 14.770 ( -0.000 -6.627 2.749) 7.174 14.860 ( 0.000 0.525 -2.345) 2.403 ======================= Grid point 2177 (485/489) ======================= q-point: ( 0.53 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 7.392 16.137 4.073) 18.211 1.945 ( 3.401 4.542 -3.001) 6.419 2.068 ( 15.019 22.232 11.526) 29.201 2.183 ( 8.050 16.912 -9.964) 21.216 2.993 ( 4.239 6.911 7.940) 11.348 4.062 ( -4.071 -7.055 -5.302) 9.719 7.636 ( 4.920 8.606 0.478) 9.925 9.077 ( 30.378 51.993 -1.337) 60.232 10.403 ( -19.296 -31.577 -1.930) 37.056 11.124 ( -2.058 -3.791 -0.313) 4.325 14.650 ( -5.317 -10.718 2.495) 12.222 14.857 ( -0.005 0.884 -2.373) 2.533 ======================= Grid point 2178 (486/489) ======================= q-point: ( 0.59 0.47 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 2457 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 9.507 15.523 7.776) 19.794 2.063 ( 6.266 7.025 -6.097) 11.216 2.330 ( 5.444 6.101 2.984) 8.705 2.700 ( 18.700 20.303 -1.838) 27.663 3.243 ( 11.402 12.484 0.836) 16.928 3.996 ( 2.299 2.358 -1.396) 3.577 7.864 ( 9.192 11.764 0.395) 14.934 9.709 ( -22.841 -26.554 4.727) 35.343 10.025 ( 26.706 30.221 -4.547) 40.586 11.034 ( -3.762 -3.453 -0.397) 5.122 14.366 ( -12.771 -14.872 -1.281) 19.645 14.881 ( 1.909 1.722 0.858) 2.711 ======================= Grid point 2194 (487/489) ======================= q-point: ( 0.53 0.53 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.000 17.977 -3.603) 18.334 1.962 ( -0.000 5.032 1.264) 5.188 2.201 ( -0.000 14.373 8.101) 16.499 2.306 ( 0.000 31.046 -6.883) 31.799 3.059 ( -0.000 10.839 3.218) 11.307 4.015 ( 0.000 -5.362 -1.706) 5.627 7.690 ( 0.000 11.056 -0.037) 11.056 9.389 ( -0.000 55.817 1.492) 55.837 10.204 ( 0.000 -37.318 -4.616) 37.602 11.095 ( -0.000 -5.058 0.277) 5.066 14.579 ( -0.000 -14.533 3.465) 14.941 14.863 ( 0.000 1.643 -2.478) 2.973 ======================= Grid point 2467 (488/489) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 489 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -0.000 0.000 3.820) 3.820 1.276 ( -0.000 0.000 3.820) 3.820 1.860 ( 0.000 -0.000 -2.145) 2.145 1.860 ( 0.000 -0.000 -2.145) 2.145 2.906 ( -0.000 0.000 10.081) 10.081 4.396 ( 0.000 -0.000 -7.009) 7.009 7.465 ( -0.000 0.000 0.529) 0.529 7.465 ( -0.000 0.000 0.529) 0.529 11.208 ( 0.000 -0.000 -0.302) 0.302 11.208 ( 0.000 -0.000 -0.302) 0.302 14.835 ( -0.000 0.000 0.902) 0.902 14.853 ( 0.000 -0.000 -0.791) 0.791 ======================= Grid point 2468 (489/489) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 1.10e-04 8.27e-07 Number of triplets: 1305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 10.153 5.862 3.871) 12.346 1.623 ( 25.366 14.645 -0.957) 29.306 1.885 ( 2.481 1.432 -1.508) 3.237 1.977 ( 9.368 5.409 -0.076) 10.817 2.942 ( 1.854 1.071 3.144) 3.804 4.208 ( -10.772 -6.219 -2.089) 12.612 7.522 ( 4.840 2.794 0.162) 5.591 8.164 ( 50.795 29.327 -0.510) 58.655 10.898 ( -24.712 -14.267 0.451) 28.538 11.178 ( -2.530 -1.461 -0.247) 2.932 14.784 ( -4.930 -2.846 0.075) 5.693 14.849 ( -0.107 -0.062 -0.303) 0.327 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/58956 10.0 1814.784 1814.784 4466.850 0.000 -0.000 -0.000 3/58956 20.0 423.975 423.975 362.106 0.000 -0.000 -0.000 3/58956 30.0 173.630 173.630 115.419 0.000 -0.000 -0.000 3/58956 40.0 117.641 117.641 65.986 0.000 -0.000 -0.000 3/58956 50.0 92.904 92.904 47.220 0.000 -0.000 -0.000 3/58956 60.0 76.588 76.588 37.119 0.000 -0.000 -0.000 3/58956 70.0 64.211 64.211 30.566 0.000 -0.000 -0.000 3/58956 80.0 54.497 54.497 25.885 0.000 -0.000 -0.000 3/58956 90.0 46.816 46.816 22.361 0.000 -0.000 -0.000 3/58956 100.0 40.713 40.713 19.622 0.000 -0.000 -0.000 3/58956 110.0 35.826 35.826 17.443 0.000 -0.000 -0.000 3/58956 120.0 31.875 31.875 15.679 0.000 -0.000 -0.000 3/58956 130.0 28.643 28.643 14.228 0.000 -0.000 -0.000 3/58956 140.0 25.970 25.970 13.017 0.000 -0.000 -0.000 3/58956 150.0 23.732 23.732 11.993 0.000 -0.000 -0.000 3/58956 160.0 21.839 21.839 11.119 0.000 -0.000 -0.000 3/58956 170.0 20.221 20.221 10.364 0.000 -0.000 -0.000 3/58956 180.0 18.825 18.825 9.706 0.000 -0.000 -0.000 3/58956 190.0 17.609 17.609 9.127 0.000 -0.000 -0.000 3/58956 200.0 16.541 16.541 8.615 0.000 -0.000 -0.000 3/58956 210.0 15.598 15.598 8.159 0.000 -0.000 -0.000 3/58956 220.0 14.758 14.758 7.749 0.000 -0.000 -0.000 3/58956 230.0 14.006 14.006 7.380 0.000 -0.000 -0.000 3/58956 240.0 13.328 13.328 7.044 0.000 -0.000 -0.000 3/58956 250.0 12.714 12.714 6.739 0.000 -0.000 -0.000 3/58956 260.0 12.157 12.157 6.460 0.000 -0.000 -0.000 3/58956 270.0 11.647 11.647 6.203 0.000 -0.000 -0.000 3/58956 280.0 11.179 11.179 5.967 0.000 -0.000 -0.000 3/58956 290.0 10.749 10.749 5.748 0.000 -0.000 -0.000 3/58956 300.0 10.351 10.351 5.545 0.000 -0.000 -0.000 3/58956 310.0 9.983 9.983 5.357 0.000 -0.000 -0.000 3/58956 320.0 9.641 9.641 5.181 0.000 -0.000 -0.000 3/58956 330.0 9.322 9.322 5.016 0.000 -0.000 -0.000 3/58956 340.0 9.024 9.024 4.862 0.000 -0.000 -0.000 3/58956 350.0 8.745 8.745 4.717 0.000 -0.000 -0.000 3/58956 360.0 8.483 8.483 4.581 0.000 -0.000 -0.000 3/58956 370.0 8.237 8.237 4.452 0.000 -0.000 -0.000 3/58956 380.0 8.005 8.005 4.331 0.000 -0.000 -0.000 3/58956 390.0 7.786 7.786 4.216 0.000 -0.000 -0.000 3/58956 400.0 7.579 7.579 4.107 0.000 -0.000 -0.000 3/58956 410.0 7.383 7.383 4.004 0.000 -0.000 -0.000 3/58956 420.0 7.197 7.197 3.906 0.000 -0.000 -0.000 3/58956 430.0 7.021 7.021 3.812 0.000 -0.000 -0.000 3/58956 440.0 6.853 6.853 3.723 0.000 -0.000 -0.000 3/58956 450.0 6.693 6.693 3.639 0.000 -0.000 -0.000 3/58956 460.0 6.541 6.541 3.558 0.000 -0.000 -0.000 3/58956 470.0 6.395 6.395 3.480 0.000 -0.000 -0.000 3/58956 480.0 6.256 6.256 3.406 0.000 -0.000 -0.000 3/58956 490.0 6.123 6.123 3.335 0.000 -0.000 -0.000 3/58956 500.0 5.996 5.996 3.267 0.000 -0.000 -0.000 3/58956 510.0 5.874 5.874 3.202 0.000 -0.000 -0.000 3/58956 520.0 5.757 5.757 3.139 0.000 -0.000 -0.000 3/58956 530.0 5.644 5.644 3.079 0.000 -0.000 -0.000 3/58956 540.0 5.536 5.536 3.021 0.000 -0.000 -0.000 3/58956 550.0 5.432 5.432 2.965 0.000 -0.000 -0.000 3/58956 560.0 5.332 5.332 2.911 0.000 -0.000 -0.000 3/58956 570.0 5.236 5.236 2.860 0.000 -0.000 -0.000 3/58956 580.0 5.143 5.143 2.810 0.000 -0.000 -0.000 3/58956 590.0 5.053 5.053 2.761 0.000 -0.000 -0.000 3/58956 600.0 4.967 4.967 2.715 0.000 -0.000 -0.000 3/58956 610.0 4.883 4.883 2.670 0.000 -0.000 -0.000 3/58956 620.0 4.803 4.803 2.626 0.000 -0.000 -0.000 3/58956 630.0 4.724 4.724 2.584 0.000 -0.000 -0.000 3/58956 640.0 4.649 4.649 2.543 0.000 -0.000 -0.000 3/58956 650.0 4.576 4.576 2.504 0.000 -0.000 -0.000 3/58956 660.0 4.505 4.505 2.465 0.000 -0.000 -0.000 3/58956 670.0 4.436 4.436 2.428 0.000 -0.000 -0.000 3/58956 680.0 4.370 4.370 2.392 0.000 -0.000 -0.000 3/58956 690.0 4.305 4.305 2.357 0.000 -0.000 -0.000 3/58956 700.0 4.242 4.242 2.323 0.000 -0.000 -0.000 3/58956 710.0 4.182 4.182 2.290 0.000 -0.000 -0.000 3/58956 720.0 4.122 4.122 2.258 0.000 -0.000 -0.000 3/58956 730.0 4.065 4.065 2.227 0.000 -0.000 -0.000 3/58956 740.0 4.009 4.009 2.196 0.000 -0.000 -0.000 3/58956 750.0 3.955 3.955 2.167 0.000 -0.000 -0.000 3/58956 760.0 3.902 3.902 2.138 0.000 -0.000 -0.000 3/58956 770.0 3.850 3.850 2.110 0.000 -0.000 -0.000 3/58956 780.0 3.800 3.800 2.083 0.000 -0.000 -0.000 3/58956 790.0 3.752 3.752 2.057 0.000 -0.000 -0.000 3/58956 800.0 3.704 3.704 2.031 0.000 -0.000 -0.000 3/58956 810.0 3.658 3.658 2.005 0.000 -0.000 -0.000 3/58956 820.0 3.612 3.612 1.981 0.000 -0.000 -0.000 3/58956 830.0 3.568 3.568 1.957 0.000 -0.000 -0.000 3/58956 840.0 3.525 3.525 1.933 0.000 -0.000 -0.000 3/58956 850.0 3.483 3.483 1.911 0.000 -0.000 -0.000 3/58956 860.0 3.442 3.442 1.888 0.000 -0.000 -0.000 3/58956 870.0 3.402 3.402 1.866 0.000 -0.000 -0.000 3/58956 880.0 3.363 3.363 1.845 0.000 -0.000 -0.000 3/58956 890.0 3.325 3.325 1.824 0.000 -0.000 -0.000 3/58956 900.0 3.288 3.288 1.804 0.000 -0.000 -0.000 3/58956 910.0 3.251 3.251 1.784 0.000 -0.000 -0.000 3/58956 920.0 3.216 3.216 1.764 0.000 -0.000 -0.000 3/58956 930.0 3.181 3.181 1.745 0.000 -0.000 -0.000 3/58956 940.0 3.146 3.146 1.727 0.000 -0.000 -0.000 3/58956 950.0 3.113 3.113 1.709 0.000 -0.000 -0.000 3/58956 960.0 3.080 3.080 1.691 0.000 -0.000 -0.000 3/58956 970.0 3.048 3.048 1.673 0.000 -0.000 -0.000 3/58956 980.0 3.017 3.017 1.656 0.000 -0.000 -0.000 3/58956 990.0 2.986 2.986 1.639 0.000 -0.000 -0.000 3/58956 1000.0 2.956 2.956 1.623 0.000 -0.000 -0.000 3/58956 Thermal conductivity related properties were written into "kappa-m171717.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:24:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|