----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:24:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 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: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.895863040114321 1.094577036556663 6.295618946666660 b -1.895863040114316 1.094577036556663 6.295618946666660 c 0.000000000000001 -2.189154073113329 6.295618946666660 Atomic positions (fractional): *1 O 0.62162057628919 0.62162057628919 0.62162057628919 15.999 2 O 0.37837942371081 0.37837942371081 0.37837942371081 15.999 *3 F 0.13008162946384 0.13008162946384 0.13008162946384 18.998 4 F 0.86991837053616 0.86991837053616 0.86991837053616 18.998 *5 Tb 0.74148561671137 0.74148561671137 0.74148561671137 158.925 6 Tb 0.25851438328863 0.25851438328863 0.25851438328863 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.791726080228637 0.000000000000000 0.000000000000000 b -1.895863040114318 3.283731109669992 0.000000000000000 c 0.000000000000000 0.000000000000000 18.886856840000000 Atomic positions (fractional): *1 O 0.33333333333333 0.66666666666667 0.28828724295586 15.999 > 1 2 O 0.33333333333333 0.66666666666667 0.04504609037748 15.999 > 2 3 O 0.00000000000000 0.00000000000000 0.62162057628919 15.999 > 1 4 O 0.00000000000000 0.00000000000000 0.37837942371081 15.999 > 2 5 O 0.66666666666667 0.33333333333333 0.95495390962252 15.999 > 1 6 O 0.66666666666667 0.33333333333333 0.71171275704415 15.999 > 2 *7 F 0.00000000000000 0.00000000000000 0.13008162946384 18.998 > 3 8 F 0.66666666666667 0.33333333333333 0.20325170386949 18.998 > 4 9 F 0.66666666666667 0.33333333333333 0.46341496279718 18.998 > 3 10 F 0.33333333333333 0.66666666666667 0.53658503720282 18.998 > 4 11 F 0.33333333333333 0.66666666666667 0.79674829613051 18.998 > 3 12 F 0.00000000000000 0.00000000000000 0.86991837053616 18.998 > 4 *13 Tb 0.66666666666667 0.33333333333333 0.07481895004470 158.925 > 5 14 Tb 0.00000000000000 0.00000000000000 0.25851438328863 158.925 > 6 15 Tb 0.33333333333333 0.66666666666667 0.40815228337803 158.925 > 5 16 Tb 0.66666666666667 0.33333333333333 0.59184771662197 158.925 > 6 17 Tb 0.00000000000000 0.00000000000000 0.74148561671137 158.925 > 5 18 Tb 0.33333333333333 0.66666666666667 0.92518104995530 158.925 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.583452160457274 0.000000000000000 0.000000000000000 b -3.791726080228636 6.567462219339984 0.000000000000000 c 0.000000000000000 0.000000000000000 18.886856840000000 Atomic positions (fractional): *1 O 0.16666666666667 0.33333333333333 0.28828724295586 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.28828724295586 15.999 > 1 3 O 0.16666666666667 0.83333333333333 0.28828724295586 15.999 > 1 4 O 0.66666666666667 0.83333333333333 0.28828724295586 15.999 > 1 5 O 0.16666666666667 0.33333333333333 0.04504609037748 15.999 > 2 6 O 0.66666666666667 0.33333333333333 0.04504609037748 15.999 > 2 7 O 0.16666666666667 0.83333333333333 0.04504609037748 15.999 > 2 8 O 0.66666666666667 0.83333333333333 0.04504609037748 15.999 > 2 9 O 0.00000000000000 0.00000000000000 0.62162057628919 15.999 > 1 10 O 0.50000000000000 0.00000000000000 0.62162057628919 15.999 > 1 11 O 0.00000000000000 0.50000000000000 0.62162057628919 15.999 > 1 12 O 0.50000000000000 0.50000000000000 0.62162057628919 15.999 > 1 13 O 0.00000000000000 0.00000000000000 0.37837942371081 15.999 > 2 14 O 0.50000000000000 0.00000000000000 0.37837942371081 15.999 > 2 15 O 0.00000000000000 0.50000000000000 0.37837942371081 15.999 > 2 16 O 0.50000000000000 0.50000000000000 0.37837942371081 15.999 > 2 17 O 0.33333333333333 0.16666666666667 0.95495390962252 15.999 > 1 18 O 0.83333333333333 0.16666666666667 0.95495390962252 15.999 > 1 19 O 0.33333333333333 0.66666666666667 0.95495390962252 15.999 > 1 20 O 0.83333333333333 0.66666666666667 0.95495390962252 15.999 > 1 21 O 0.33333333333333 0.16666666666667 0.71171275704415 15.999 > 2 22 O 0.83333333333333 0.16666666666667 0.71171275704415 15.999 > 2 23 O 0.33333333333333 0.66666666666667 0.71171275704415 15.999 > 2 24 O 0.83333333333333 0.66666666666667 0.71171275704415 15.999 > 2 *25 F 0.00000000000000 0.00000000000000 0.13008162946384 18.998 > 3 26 F 0.50000000000000 0.00000000000000 0.13008162946384 18.998 > 3 27 F 0.00000000000000 0.50000000000000 0.13008162946384 18.998 > 3 28 F 0.50000000000000 0.50000000000000 0.13008162946384 18.998 > 3 29 F 0.33333333333333 0.16666666666667 0.20325170386949 18.998 > 4 30 F 0.83333333333333 0.16666666666667 0.20325170386949 18.998 > 4 31 F 0.33333333333333 0.66666666666667 0.20325170386949 18.998 > 4 32 F 0.83333333333333 0.66666666666667 0.20325170386949 18.998 > 4 33 F 0.33333333333333 0.16666666666667 0.46341496279718 18.998 > 3 34 F 0.83333333333333 0.16666666666667 0.46341496279718 18.998 > 3 35 F 0.33333333333333 0.66666666666667 0.46341496279718 18.998 > 3 36 F 0.83333333333333 0.66666666666667 0.46341496279718 18.998 > 3 37 F 0.16666666666667 0.33333333333333 0.53658503720282 18.998 > 4 38 F 0.66666666666667 0.33333333333333 0.53658503720282 18.998 > 4 39 F 0.16666666666667 0.83333333333333 0.53658503720282 18.998 > 4 40 F 0.66666666666667 0.83333333333333 0.53658503720282 18.998 > 4 41 F 0.16666666666667 0.33333333333333 0.79674829613051 18.998 > 3 42 F 0.66666666666667 0.33333333333333 0.79674829613051 18.998 > 3 43 F 0.16666666666667 0.83333333333333 0.79674829613051 18.998 > 3 44 F 0.66666666666667 0.83333333333333 0.79674829613051 18.998 > 3 45 F 0.00000000000000 0.00000000000000 0.86991837053616 18.998 > 4 46 F 0.50000000000000 0.00000000000000 0.86991837053616 18.998 > 4 47 F 0.00000000000000 0.50000000000000 0.86991837053616 18.998 > 4 48 F 0.50000000000000 0.50000000000000 0.86991837053616 18.998 > 4 *49 Tb 0.33333333333333 0.16666666666667 0.07481895004470 158.925 > 5 50 Tb 0.83333333333333 0.16666666666667 0.07481895004470 158.925 > 5 51 Tb 0.33333333333333 0.66666666666667 0.07481895004470 158.925 > 5 52 Tb 0.83333333333333 0.66666666666667 0.07481895004470 158.925 > 5 53 Tb 0.00000000000000 0.00000000000000 0.25851438328863 158.925 > 6 54 Tb 0.50000000000000 0.00000000000000 0.25851438328863 158.925 > 6 55 Tb 0.00000000000000 0.50000000000000 0.25851438328863 158.925 > 6 56 Tb 0.50000000000000 0.50000000000000 0.25851438328863 158.925 > 6 57 Tb 0.16666666666667 0.33333333333333 0.40815228337803 158.925 > 5 58 Tb 0.66666666666667 0.33333333333333 0.40815228337803 158.925 > 5 59 Tb 0.16666666666667 0.83333333333333 0.40815228337803 158.925 > 5 60 Tb 0.66666666666667 0.83333333333333 0.40815228337803 158.925 > 5 61 Tb 0.33333333333333 0.16666666666667 0.59184771662197 158.925 > 6 62 Tb 0.83333333333333 0.16666666666667 0.59184771662197 158.925 > 6 63 Tb 0.33333333333333 0.66666666666667 0.59184771662197 158.925 > 6 64 Tb 0.83333333333333 0.66666666666667 0.59184771662197 158.925 > 6 65 Tb 0.00000000000000 0.00000000000000 0.74148561671137 158.925 > 5 66 Tb 0.50000000000000 0.00000000000000 0.74148561671137 158.925 > 5 67 Tb 0.00000000000000 0.50000000000000 0.74148561671137 158.925 > 5 68 Tb 0.50000000000000 0.50000000000000 0.74148561671137 158.925 > 5 69 Tb 0.16666666666667 0.33333333333333 0.92518104995530 158.925 > 6 70 Tb 0.66666666666667 0.33333333333333 0.92518104995530 158.925 > 6 71 Tb 0.16666666666667 0.83333333333333 0.92518104995530 158.925 > 6 72 Tb 0.66666666666667 0.83333333333333 0.92518104995530 158.925 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6063963 -0.0000000 0.0000000 0.0000000 3.6063963 0.0000000 0.0000000 0.0000000 3.3531375 -------------------------- Born effective charges -------------------------- 1 O -2.4388521 0.0000000 0.0000000 0.0000000 -2.4388521 0.0000000 0.0000000 0.0000000 -1.8976494 2 O -2.4388521 0.0000000 0.0000000 0.0000000 -2.4388521 0.0000000 0.0000000 0.0000000 -1.8976494 3 F -1.3880445 0.0000000 0.0000000 0.0000000 -1.3880445 0.0000000 0.0000000 0.0000000 -1.7043831 4 F -1.3880445 0.0000000 0.0000000 0.0000000 -1.3880445 0.0000000 0.0000000 0.0000000 -1.7043831 5 Tb 3.8268965 -0.0000000 0.0000000 0.0000000 3.8268965 0.0000000 0.0000000 0.0000000 3.6020324 6 Tb 3.8268965 -0.0000000 0.0000000 0.0000000 3.8268965 0.0000000 0.0000000 0.0000000 3.6020324 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 240 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: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.080 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.084 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 240 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: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:24:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:24:07]------------------------- 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): [2 2 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 1.895863040114321 1.094577036556663 6.295618946666660 b -1.895863040114316 1.094577036556663 6.295618946666660 c 0.000000000000001 -2.189154073113329 6.295618946666660 Atomic positions (fractional): 1 O 0.62162057628919 0.62162057628919 0.62162057628919 15.999 2 O 0.37837942371081 0.37837942371081 0.37837942371081 15.999 3 F 0.13008162946384 0.13008162946384 0.13008162946384 18.998 4 F 0.86991837053616 0.86991837053616 0.86991837053616 18.998 5 Tb 0.74148561671137 0.74148561671137 0.74148561671137 158.925 6 Tb 0.25851438328863 0.25851438328863 0.25851438328863 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.583452160457274 0.000000000000000 0.000000000000000 b -3.791726080228636 6.567462219339984 0.000000000000000 c 0.000000000000000 0.000000000000000 18.886856840000000 Atomic positions (fractional): 1 O 0.16666666666667 0.33333333333333 0.28828724295586 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.28828724295586 15.999 > 1 3 O 0.16666666666667 0.83333333333333 0.28828724295586 15.999 > 1 4 O 0.66666666666667 0.83333333333333 0.28828724295586 15.999 > 1 5 O 0.16666666666667 0.33333333333333 0.04504609037748 15.999 > 5 6 O 0.66666666666667 0.33333333333333 0.04504609037748 15.999 > 5 7 O 0.16666666666667 0.83333333333333 0.04504609037748 15.999 > 5 8 O 0.66666666666667 0.83333333333333 0.04504609037748 15.999 > 5 9 O 0.00000000000000 0.00000000000000 0.62162057628919 15.999 > 1 10 O 0.50000000000000 0.00000000000000 0.62162057628919 15.999 > 1 11 O 0.00000000000000 0.50000000000000 0.62162057628919 15.999 > 1 12 O 0.50000000000000 0.50000000000000 0.62162057628919 15.999 > 1 13 O 0.00000000000000 0.00000000000000 0.37837942371081 15.999 > 5 14 O 0.50000000000000 0.00000000000000 0.37837942371081 15.999 > 5 15 O 0.00000000000000 0.50000000000000 0.37837942371081 15.999 > 5 16 O 0.50000000000000 0.50000000000000 0.37837942371081 15.999 > 5 17 O 0.33333333333333 0.16666666666667 0.95495390962252 15.999 > 1 18 O 0.83333333333333 0.16666666666667 0.95495390962252 15.999 > 1 19 O 0.33333333333333 0.66666666666667 0.95495390962252 15.999 > 1 20 O 0.83333333333333 0.66666666666667 0.95495390962252 15.999 > 1 21 O 0.33333333333333 0.16666666666667 0.71171275704415 15.999 > 5 22 O 0.83333333333333 0.16666666666667 0.71171275704415 15.999 > 5 23 O 0.33333333333333 0.66666666666667 0.71171275704415 15.999 > 5 24 O 0.83333333333333 0.66666666666667 0.71171275704415 15.999 > 5 25 F 0.00000000000000 0.00000000000000 0.13008162946384 18.998 > 25 26 F 0.50000000000000 0.00000000000000 0.13008162946384 18.998 > 25 27 F 0.00000000000000 0.50000000000000 0.13008162946384 18.998 > 25 28 F 0.50000000000000 0.50000000000000 0.13008162946384 18.998 > 25 29 F 0.33333333333333 0.16666666666667 0.20325170386949 18.998 > 29 30 F 0.83333333333333 0.16666666666667 0.20325170386949 18.998 > 29 31 F 0.33333333333333 0.66666666666667 0.20325170386949 18.998 > 29 32 F 0.83333333333333 0.66666666666667 0.20325170386949 18.998 > 29 33 F 0.33333333333333 0.16666666666667 0.46341496279718 18.998 > 25 34 F 0.83333333333333 0.16666666666667 0.46341496279718 18.998 > 25 35 F 0.33333333333333 0.66666666666667 0.46341496279718 18.998 > 25 36 F 0.83333333333333 0.66666666666667 0.46341496279718 18.998 > 25 37 F 0.16666666666667 0.33333333333333 0.53658503720282 18.998 > 29 38 F 0.66666666666667 0.33333333333333 0.53658503720282 18.998 > 29 39 F 0.16666666666667 0.83333333333333 0.53658503720282 18.998 > 29 40 F 0.66666666666667 0.83333333333333 0.53658503720282 18.998 > 29 41 F 0.16666666666667 0.33333333333333 0.79674829613051 18.998 > 25 42 F 0.66666666666667 0.33333333333333 0.79674829613051 18.998 > 25 43 F 0.16666666666667 0.83333333333333 0.79674829613051 18.998 > 25 44 F 0.66666666666667 0.83333333333333 0.79674829613051 18.998 > 25 45 F 0.00000000000000 0.00000000000000 0.86991837053616 18.998 > 29 46 F 0.50000000000000 0.00000000000000 0.86991837053616 18.998 > 29 47 F 0.00000000000000 0.50000000000000 0.86991837053616 18.998 > 29 48 F 0.50000000000000 0.50000000000000 0.86991837053616 18.998 > 29 49 Tb 0.33333333333333 0.16666666666667 0.07481895004470 158.925 > 49 50 Tb 0.83333333333333 0.16666666666667 0.07481895004470 158.925 > 49 51 Tb 0.33333333333333 0.66666666666667 0.07481895004470 158.925 > 49 52 Tb 0.83333333333333 0.66666666666667 0.07481895004470 158.925 > 49 53 Tb 0.00000000000000 0.00000000000000 0.25851438328863 158.925 > 53 54 Tb 0.50000000000000 0.00000000000000 0.25851438328863 158.925 > 53 55 Tb 0.00000000000000 0.50000000000000 0.25851438328863 158.925 > 53 56 Tb 0.50000000000000 0.50000000000000 0.25851438328863 158.925 > 53 57 Tb 0.16666666666667 0.33333333333333 0.40815228337803 158.925 > 49 58 Tb 0.66666666666667 0.33333333333333 0.40815228337803 158.925 > 49 59 Tb 0.16666666666667 0.83333333333333 0.40815228337803 158.925 > 49 60 Tb 0.66666666666667 0.83333333333333 0.40815228337803 158.925 > 49 61 Tb 0.33333333333333 0.16666666666667 0.59184771662197 158.925 > 53 62 Tb 0.83333333333333 0.16666666666667 0.59184771662197 158.925 > 53 63 Tb 0.33333333333333 0.66666666666667 0.59184771662197 158.925 > 53 64 Tb 0.83333333333333 0.66666666666667 0.59184771662197 158.925 > 53 65 Tb 0.00000000000000 0.00000000000000 0.74148561671137 158.925 > 49 66 Tb 0.50000000000000 0.00000000000000 0.74148561671137 158.925 > 49 67 Tb 0.00000000000000 0.50000000000000 0.74148561671137 158.925 > 49 68 Tb 0.50000000000000 0.50000000000000 0.74148561671137 158.925 > 49 69 Tb 0.16666666666667 0.33333333333333 0.92518104995530 158.925 > 53 70 Tb 0.66666666666667 0.33333333333333 0.92518104995530 158.925 > 53 71 Tb 0.16666666666667 0.83333333333333 0.92518104995530 158.925 > 53 72 Tb 0.66666666666667 0.83333333333333 0.92518104995530 158.925 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6063963 -0.0000000 0.0000000 0.0000000 3.6063963 0.0000000 0.0000000 0.0000000 3.3531375 -------------------------- Born effective charges -------------------------- 1 O -2.4388521 0.0000000 0.0000000 0.0000000 -2.4388521 0.0000000 0.0000000 0.0000000 -1.8976494 2 O -2.4388521 0.0000000 0.0000000 0.0000000 -2.4388521 0.0000000 0.0000000 0.0000000 -1.8976494 3 F -1.3880445 0.0000000 0.0000000 0.0000000 -1.3880445 0.0000000 0.0000000 0.0000000 -1.7043831 4 F -1.3880445 0.0000000 0.0000000 0.0000000 -1.3880445 0.0000000 0.0000000 0.0000000 -1.7043831 5 Tb 3.8268965 -0.0000000 0.0000000 0.0000000 3.8268965 0.0000000 0.0000000 0.0000000 3.6020324 6 Tb 3.8268965 -0.0000000 0.0000000 0.0000000 3.8268965 0.0000000 0.0000000 0.0000000 3.6020324 ---------------------------------------------------------------------------- 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[ 25, 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[ 49, 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: 0.00000005 (zzz) 0.00000005 (zzz) 0.00000005 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:24:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:24:10]------------------------- 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): [2 2 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 1.895863040114321 1.094577036556663 6.295618946666660 b -1.895863040114316 1.094577036556663 6.295618946666660 c 0.000000000000001 -2.189154073113329 6.295618946666660 Atomic positions (fractional): 1 O 0.62162057628919 0.62162057628919 0.62162057628919 15.999 2 O 0.37837942371081 0.37837942371081 0.37837942371081 15.999 3 F 0.13008162946384 0.13008162946384 0.13008162946384 18.998 4 F 0.86991837053616 0.86991837053616 0.86991837053616 18.998 5 Tb 0.74148561671137 0.74148561671137 0.74148561671137 158.925 6 Tb 0.25851438328863 0.25851438328863 0.25851438328863 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.583452160457274 0.000000000000000 0.000000000000000 b -3.791726080228636 6.567462219339984 0.000000000000000 c 0.000000000000000 0.000000000000000 18.886856840000000 Atomic positions (fractional): 1 O 0.16666666666667 0.33333333333333 0.28828724295586 15.999 > 1 2 O 0.66666666666667 0.33333333333333 0.28828724295586 15.999 > 1 3 O 0.16666666666667 0.83333333333333 0.28828724295586 15.999 > 1 4 O 0.66666666666667 0.83333333333333 0.28828724295586 15.999 > 1 5 O 0.16666666666667 0.33333333333333 0.04504609037748 15.999 > 5 6 O 0.66666666666667 0.33333333333333 0.04504609037748 15.999 > 5 7 O 0.16666666666667 0.83333333333333 0.04504609037748 15.999 > 5 8 O 0.66666666666667 0.83333333333333 0.04504609037748 15.999 > 5 9 O 0.00000000000000 0.00000000000000 0.62162057628919 15.999 > 1 10 O 0.50000000000000 0.00000000000000 0.62162057628919 15.999 > 1 11 O 0.00000000000000 0.50000000000000 0.62162057628919 15.999 > 1 12 O 0.50000000000000 0.50000000000000 0.62162057628919 15.999 > 1 13 O 0.00000000000000 0.00000000000000 0.37837942371081 15.999 > 5 14 O 0.50000000000000 0.00000000000000 0.37837942371081 15.999 > 5 15 O 0.00000000000000 0.50000000000000 0.37837942371081 15.999 > 5 16 O 0.50000000000000 0.50000000000000 0.37837942371081 15.999 > 5 17 O 0.33333333333333 0.16666666666667 0.95495390962252 15.999 > 1 18 O 0.83333333333333 0.16666666666667 0.95495390962252 15.999 > 1 19 O 0.33333333333333 0.66666666666667 0.95495390962252 15.999 > 1 20 O 0.83333333333333 0.66666666666667 0.95495390962252 15.999 > 1 21 O 0.33333333333333 0.16666666666667 0.71171275704415 15.999 > 5 22 O 0.83333333333333 0.16666666666667 0.71171275704415 15.999 > 5 23 O 0.33333333333333 0.66666666666667 0.71171275704415 15.999 > 5 24 O 0.83333333333333 0.66666666666667 0.71171275704415 15.999 > 5 25 F 0.00000000000000 0.00000000000000 0.13008162946384 18.998 > 25 26 F 0.50000000000000 0.00000000000000 0.13008162946384 18.998 > 25 27 F 0.00000000000000 0.50000000000000 0.13008162946384 18.998 > 25 28 F 0.50000000000000 0.50000000000000 0.13008162946384 18.998 > 25 29 F 0.33333333333333 0.16666666666667 0.20325170386949 18.998 > 29 30 F 0.83333333333333 0.16666666666667 0.20325170386949 18.998 > 29 31 F 0.33333333333333 0.66666666666667 0.20325170386949 18.998 > 29 32 F 0.83333333333333 0.66666666666667 0.20325170386949 18.998 > 29 33 F 0.33333333333333 0.16666666666667 0.46341496279718 18.998 > 25 34 F 0.83333333333333 0.16666666666667 0.46341496279718 18.998 > 25 35 F 0.33333333333333 0.66666666666667 0.46341496279718 18.998 > 25 36 F 0.83333333333333 0.66666666666667 0.46341496279718 18.998 > 25 37 F 0.16666666666667 0.33333333333333 0.53658503720282 18.998 > 29 38 F 0.66666666666667 0.33333333333333 0.53658503720282 18.998 > 29 39 F 0.16666666666667 0.83333333333333 0.53658503720282 18.998 > 29 40 F 0.66666666666667 0.83333333333333 0.53658503720282 18.998 > 29 41 F 0.16666666666667 0.33333333333333 0.79674829613051 18.998 > 25 42 F 0.66666666666667 0.33333333333333 0.79674829613051 18.998 > 25 43 F 0.16666666666667 0.83333333333333 0.79674829613051 18.998 > 25 44 F 0.66666666666667 0.83333333333333 0.79674829613051 18.998 > 25 45 F 0.00000000000000 0.00000000000000 0.86991837053616 18.998 > 29 46 F 0.50000000000000 0.00000000000000 0.86991837053616 18.998 > 29 47 F 0.00000000000000 0.50000000000000 0.86991837053616 18.998 > 29 48 F 0.50000000000000 0.50000000000000 0.86991837053616 18.998 > 29 49 Tb 0.33333333333333 0.16666666666667 0.07481895004470 158.925 > 49 50 Tb 0.83333333333333 0.16666666666667 0.07481895004470 158.925 > 49 51 Tb 0.33333333333333 0.66666666666667 0.07481895004470 158.925 > 49 52 Tb 0.83333333333333 0.66666666666667 0.07481895004470 158.925 > 49 53 Tb 0.00000000000000 0.00000000000000 0.25851438328863 158.925 > 53 54 Tb 0.50000000000000 0.00000000000000 0.25851438328863 158.925 > 53 55 Tb 0.00000000000000 0.50000000000000 0.25851438328863 158.925 > 53 56 Tb 0.50000000000000 0.50000000000000 0.25851438328863 158.925 > 53 57 Tb 0.16666666666667 0.33333333333333 0.40815228337803 158.925 > 49 58 Tb 0.66666666666667 0.33333333333333 0.40815228337803 158.925 > 49 59 Tb 0.16666666666667 0.83333333333333 0.40815228337803 158.925 > 49 60 Tb 0.66666666666667 0.83333333333333 0.40815228337803 158.925 > 49 61 Tb 0.33333333333333 0.16666666666667 0.59184771662197 158.925 > 53 62 Tb 0.83333333333333 0.16666666666667 0.59184771662197 158.925 > 53 63 Tb 0.33333333333333 0.66666666666667 0.59184771662197 158.925 > 53 64 Tb 0.83333333333333 0.66666666666667 0.59184771662197 158.925 > 53 65 Tb 0.00000000000000 0.00000000000000 0.74148561671137 158.925 > 49 66 Tb 0.50000000000000 0.00000000000000 0.74148561671137 158.925 > 49 67 Tb 0.00000000000000 0.50000000000000 0.74148561671137 158.925 > 49 68 Tb 0.50000000000000 0.50000000000000 0.74148561671137 158.925 > 49 69 Tb 0.16666666666667 0.33333333333333 0.92518104995530 158.925 > 53 70 Tb 0.66666666666667 0.33333333333333 0.92518104995530 158.925 > 53 71 Tb 0.16666666666667 0.83333333333333 0.92518104995530 158.925 > 53 72 Tb 0.66666666666667 0.83333333333333 0.92518104995530 158.925 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6063963 -0.0000000 0.0000000 0.0000000 3.6063963 0.0000000 0.0000000 0.0000000 3.3531375 -------------------------- Born effective charges -------------------------- 1 O -2.4388521 0.0000000 0.0000000 0.0000000 -2.4388521 0.0000000 0.0000000 0.0000000 -1.8976494 2 O -2.4388521 0.0000000 0.0000000 0.0000000 -2.4388521 0.0000000 0.0000000 0.0000000 -1.8976494 3 F -1.3880445 0.0000000 0.0000000 0.0000000 -1.3880445 0.0000000 0.0000000 0.0000000 -1.7043831 4 F -1.3880445 0.0000000 0.0000000 0.0000000 -1.3880445 0.0000000 0.0000000 0.0000000 -1.7043831 5 Tb 3.8268965 -0.0000000 0.0000000 0.0000000 3.8268965 0.0000000 0.0000000 0.0000000 3.6020324 6 Tb 3.8268965 -0.0000000 0.0000000 0.0000000 3.8268965 0.0000000 0.0000000 0.0000000 3.6020324 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (zzz) 0.00000005 (zzz) 0.00000005 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 15 15 15 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.97, Number of G-points: 325, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 12.543 ( 0.000 0.000 0.000) 0.000 12.543 ( 0.000 0.000 0.000) 0.000 14.022 ( 0.000 0.000 0.000) 0.000 14.022 ( 0.000 0.000 0.000) 0.000 14.165 ( 0.000 0.000 0.000) 0.000 14.552 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 25.270 14.590 -1.470) 29.217 0.650 ( 27.682 15.982 -4.258) 32.247 1.177 ( 46.722 26.975 16.799) 56.505 3.145 ( 3.361 1.940 0.267) 3.890 3.287 ( 15.083 8.708 -1.827) 17.512 5.589 ( -1.373 -0.793 -1.462) 2.157 6.608 ( 0.355 0.205 -0.610) 0.735 6.951 ( 1.655 0.955 -9.755) 9.940 8.500 ( -26.323 -15.198 -20.427) 36.622 8.996 ( 1.786 1.031 1.774) 2.720 9.333 ( -3.750 -2.165 38.773) 39.014 10.328 ( 9.766 5.638 1.741) 11.410 12.482 ( -4.918 -2.840 -1.530) 5.882 13.757 ( -16.919 -9.768 -2.522) 19.699 14.014 ( -0.790 -0.456 0.892) 1.276 14.067 ( -6.534 -3.772 -7.173) 10.410 14.760 ( 15.465 8.929 -7.447) 19.348 17.143 ( 1.698 0.980 -3.823) 4.296 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 25.938 14.975 -1.186) 29.974 1.254 ( 24.748 14.288 -3.344) 28.772 2.287 ( 42.570 24.578 16.184) 51.751 3.255 ( 5.675 3.276 0.170) 6.555 3.743 ( 23.258 13.428 -3.230) 27.050 5.533 ( -2.809 -1.622 -2.603) 4.159 6.616 ( 0.524 0.303 -1.069) 1.228 6.956 ( 0.704 0.407 -5.120) 5.184 7.743 ( -29.845 -17.231 -23.713) 41.832 9.064 ( 3.137 1.811 3.266) 4.877 9.300 ( -7.542 -4.354 23.496) 25.058 10.544 ( 6.666 3.849 1.057) 7.770 12.310 ( -8.840 -5.104 -2.724) 10.565 13.320 ( -18.972 -10.953 -1.812) 21.981 13.830 ( -10.909 -6.298 -7.284) 14.551 13.993 ( -1.349 -0.779 1.492) 2.157 15.091 ( 13.523 7.808 -1.264) 15.666 17.167 ( 0.226 0.130 2.410) 2.424 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 25.295 14.604 -0.517) 29.213 1.778 ( 20.614 11.901 -1.917) 23.880 3.266 ( 35.770 20.652 15.215) 44.017 3.399 ( 6.389 3.688 -0.409) 7.388 4.299 ( 24.312 14.037 -4.711) 28.466 5.442 ( -4.068 -2.349 -2.749) 5.442 6.622 ( 0.260 0.150 -1.209) 1.246 6.823 ( -20.538 -11.858 4.618) 24.161 7.124 ( -5.226 -3.017 -27.191) 27.852 9.161 ( 3.880 2.240 4.105) 6.076 9.170 ( -9.100 -5.254 16.000) 19.142 10.602 ( -1.808 -1.044 -4.385) 4.857 12.062 ( -11.092 -6.404 -3.313) 13.229 12.879 ( -17.696 -10.217 -0.585) 20.442 13.534 ( -11.826 -6.828 -5.706) 14.800 13.964 ( -1.470 -0.849 1.655) 2.371 15.371 ( 10.420 6.016 -0.197) 12.034 17.161 ( -1.893 -1.093 4.924) 5.387 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 16.125 9.310 -0.290) 18.622 2.349 ( 23.641 13.649 0.513) 27.303 3.539 ( 5.546 3.202 -1.261) 6.527 4.048 ( 25.894 14.950 13.495) 32.804 4.798 ( 18.892 10.907 -6.955) 22.897 5.336 ( -3.860 -2.228 -0.778) 4.524 6.294 ( -18.650 -10.768 3.734) 21.857 6.617 ( -0.451 -0.260 -0.957) 1.089 7.107 ( 4.326 2.498 -14.371) 15.215 9.001 ( -9.066 -5.234 10.458) 14.797 9.270 ( 4.054 2.340 4.003) 6.159 10.409 ( -12.085 -6.977 -13.229) 19.228 11.782 ( -11.447 -6.609 -3.168) 13.592 12.509 ( -13.675 -7.895 1.090) 15.829 13.259 ( -9.986 -5.765 -2.624) 11.826 13.939 ( -1.120 -0.646 1.431) 1.928 15.576 ( 7.114 4.107 -0.303) 8.220 17.115 ( -3.540 -2.044 5.646) 6.970 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 11.770 6.795 1.020) 13.629 2.883 ( 21.613 12.478 1.735) 25.017 3.643 ( 3.710 2.142 -1.944) 4.705 4.518 ( 9.114 5.262 8.225) 13.357 5.102 ( 9.160 5.289 -3.822) 11.247 5.293 ( 1.461 0.843 1.204) 2.072 6.088 ( -1.207 -0.697 11.578) 11.662 6.595 ( -1.124 -0.649 -0.488) 1.386 7.168 ( 4.156 2.399 -9.326) 10.488 8.833 ( -7.444 -4.298 6.015) 10.491 9.374 ( 3.650 2.107 3.067) 5.213 9.966 ( -19.505 -11.261 -21.171) 30.910 11.518 ( -9.982 -5.763 -2.414) 11.777 12.247 ( -9.312 -5.377 1.887) 10.918 13.059 ( -6.604 -3.813 0.356) 7.634 13.924 ( -0.536 -0.309 1.004) 1.179 15.705 ( 4.181 2.414 -0.583) 4.863 17.044 ( -3.876 -2.238 5.064) 6.758 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 7.403 4.274 1.453) 8.671 3.375 ( 19.654 11.347 2.869) 22.875 3.699 ( 1.763 1.018 -1.923) 2.800 4.514 ( -8.536 -4.928 0.208) 9.858 5.270 ( 6.625 3.825 3.953) 8.611 5.437 ( 7.738 4.467 3.600) 9.633 6.213 ( 5.500 3.175 11.951) 13.534 6.565 ( -1.162 -0.671 -0.120) 1.347 7.226 ( 2.846 1.643 -5.130) 6.092 8.710 ( -4.138 -2.389 3.587) 5.975 9.409 ( -19.773 -11.416 -23.036) 32.434 9.457 ( 2.581 1.490 1.783) 3.473 11.310 ( -6.866 -3.964 -1.404) 8.051 12.077 ( -5.776 -3.335 1.374) 6.810 12.949 ( -3.293 -1.901 1.551) 4.106 13.919 ( -0.093 -0.054 0.559) 0.569 15.774 ( 1.999 1.154 -0.581) 2.380 16.978 ( -2.884 -1.665 3.472) 4.811 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 2.585 1.493 0.697) 3.066 3.718 ( 0.436 0.251 -0.839) 0.979 3.824 ( 17.611 10.168 3.437) 20.624 4.222 ( -14.798 -8.544 -2.843) 17.322 5.427 ( 4.267 2.463 2.387) 5.475 5.582 ( 2.877 1.661 2.467) 4.138 6.349 ( 2.537 1.465 5.669) 6.381 6.545 ( -0.483 -0.279 0.001) 0.558 7.260 ( 0.991 0.572 -1.635) 1.996 8.683 ( 0.818 0.472 4.298) 4.401 8.960 ( -10.898 -6.292 -13.995) 18.820 9.503 ( 0.935 0.540 0.564) 1.218 11.196 ( -2.458 -1.419 -0.444) 2.873 11.988 ( -2.028 -1.171 0.469) 2.388 12.906 ( -0.934 -0.539 0.775) 1.328 13.921 ( 0.024 0.014 0.175) 0.177 15.801 ( 0.562 0.325 -0.239) 0.692 16.939 ( -1.051 -0.607 1.231) 1.729 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.000 27.928 16.932) 32.660 0.764 ( -0.000 30.597 16.264) 34.651 1.104 ( 0.000 51.576 5.506) 51.869 3.134 ( 0.000 3.556 -1.895) 4.029 3.295 ( 0.000 17.875 -0.286) 17.878 5.583 ( 0.000 -1.373 -2.636) 2.972 6.618 ( -0.000 0.766 1.308) 1.516 6.904 ( 0.000 4.260 -14.973) 15.567 8.916 ( -0.000 -17.105 28.890) 33.574 8.970 ( 0.000 1.081 -3.068) 3.252 9.092 ( -0.000 -24.263 15.856) 28.984 10.318 ( 0.000 10.111 -0.134) 10.112 12.502 ( -0.000 -4.891 2.324) 5.416 13.719 ( 0.000 -17.614 -10.164) 20.336 14.002 ( 0.000 -1.345 -1.269) 1.850 14.059 ( 0.000 -5.710 -6.950) 8.995 14.790 ( 0.000 23.498 -2.372) 23.618 17.052 ( 0.000 2.351 -17.927) 18.080 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 7.198 24.967 13.339) 29.207 1.272 ( 9.800 31.646 1.397) 33.159 1.968 ( 31.930 36.993 13.533) 50.707 3.239 ( 5.266 6.369 -2.073) 8.520 3.577 ( 10.223 21.153 -1.500) 23.542 5.543 ( -1.523 -1.748 -3.304) 4.036 6.613 ( -1.281 0.132 0.629) 1.433 6.907 ( 1.743 1.402 -10.636) 10.869 8.165 ( -40.643 -14.461 -1.331) 43.160 8.932 ( 5.255 -8.535 8.809) 13.344 9.344 ( 10.044 -9.407 11.371) 17.851 10.487 ( 6.311 7.547 -0.333) 9.844 12.387 ( -6.431 -6.227 0.620) 8.973 13.418 ( -9.802 -18.143 -4.777) 21.168 13.863 ( -7.174 -9.155 -6.805) 13.475 14.001 ( 0.046 -1.875 -0.998) 2.124 15.069 ( 5.159 18.475 4.368) 19.672 17.078 ( 6.073 -2.738 -8.956) 11.162 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 18.465 20.676 6.321) 28.432 1.750 ( 10.712 26.382 -0.512) 28.479 2.914 ( 32.211 24.027 12.971) 42.227 3.417 ( 5.630 12.610 -0.540) 13.821 4.039 ( 19.027 18.352 -3.902) 26.722 5.473 ( -3.058 -1.817 -2.940) 4.615 6.581 ( -0.808 -3.338 -0.663) 3.498 6.918 ( 2.332 -0.325 -7.215) 7.589 7.335 ( -34.730 -12.644 -7.545) 37.722 8.982 ( 6.474 -9.283 8.597) 14.212 9.380 ( -1.832 -0.795 7.638) 7.895 10.609 ( 0.874 2.481 -3.192) 4.136 12.173 ( -9.847 -6.771 -1.289) 12.019 13.014 ( -13.726 -16.898 -0.971) 21.792 13.587 ( -8.450 -11.557 -7.505) 16.165 13.987 ( -0.329 -0.354 0.309) 0.574 15.343 ( 4.948 14.118 4.317) 15.571 17.108 ( 4.274 -6.075 -1.742) 7.629 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 18.665 19.305 3.048) 27.025 2.181 ( 12.462 19.763 0.060) 23.364 3.456 ( 9.720 5.510 0.589) 11.188 3.869 ( 21.582 23.841 9.895) 33.647 4.538 ( 20.015 13.467 -6.461) 24.974 5.386 ( -3.944 -1.172 -0.697) 4.173 6.459 ( -8.397 -11.293 -1.386) 14.141 6.712 ( -17.972 -3.157 3.620) 18.603 6.960 ( 5.649 -3.103 -10.989) 12.740 9.003 ( 2.100 -8.049 6.775) 10.729 9.370 ( -3.285 5.021 5.507) 8.144 10.509 ( -9.481 -3.160 -10.566) 14.543 11.909 ( -11.450 -6.479 -2.285) 13.353 12.621 ( -12.166 -14.421 1.262) 18.910 13.307 ( -7.100 -11.177 -5.194) 14.224 13.984 ( -1.160 2.104 0.663) 2.492 15.550 ( 3.394 9.640 2.905) 10.625 17.089 ( 1.919 -8.439 2.063) 8.897 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 8.177 17.018 1.842) 18.970 2.659 ( 20.271 15.921 0.864) 25.790 3.612 ( 3.864 5.145 -1.818) 6.686 4.438 ( 14.281 14.174 6.245) 21.068 4.934 ( 14.668 8.186 -5.631) 17.716 5.322 ( -2.669 0.525 2.199) 3.498 6.181 ( -7.739 -4.465 9.259) 12.867 6.558 ( -1.314 -6.237 1.590) 6.570 7.008 ( 7.520 -4.616 -7.327) 11.470 8.937 ( -4.635 -3.086 3.786) 6.734 9.415 ( -0.535 5.921 5.145) 7.862 10.144 ( -18.982 -7.647 -18.979) 27.911 11.641 ( -10.852 -5.112 -2.718) 12.300 12.312 ( -8.727 -11.862 2.575) 14.950 13.090 ( -4.308 -8.931 -1.856) 10.088 13.994 ( -2.272 5.414 0.612) 5.903 15.679 ( 2.056 4.968 1.348) 5.543 17.027 ( 0.666 -9.744 3.537) 10.388 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 4.557 13.163 2.130) 14.091 3.164 ( 18.999 14.082 0.327) 23.651 3.701 ( 1.542 4.959 -1.997) 5.564 4.620 ( -4.165 3.302 -3.267) 6.240 5.193 ( 8.441 4.512 1.864) 9.751 5.376 ( 5.479 4.440 5.924) 9.210 6.197 ( 3.606 1.608 13.848) 14.400 6.490 ( 2.039 -9.611 1.213) 9.899 7.071 ( 8.257 -6.388 -5.049) 11.596 8.829 ( -7.064 1.137 1.817) 7.382 9.485 ( -1.242 4.490 5.245) 7.015 9.615 ( -21.029 -6.666 -22.917) 31.810 11.420 ( -8.842 -1.817 -2.657) 9.410 12.082 ( -5.035 -11.526 2.324) 12.790 12.960 ( -1.742 -5.849 0.202) 6.106 14.016 ( -3.728 8.771 0.420) 9.540 15.740 ( 1.618 0.618 0.239) 1.749 16.950 ( 0.820 -9.841 3.318) 10.418 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 0.404 10.068 1.409) 10.174 3.574 ( 13.275 4.938 -1.058) 14.203 3.795 ( 3.922 10.967 -0.190) 11.649 4.427 ( -14.959 -0.185 -6.193) 16.192 5.374 ( 6.561 3.382 2.615) 7.830 5.546 ( 4.587 1.648 7.720) 9.130 6.322 ( 3.421 -0.834 6.810) 7.666 6.452 ( 4.167 -8.911 1.487) 9.949 7.126 ( 7.702 -8.033 -2.641) 11.438 8.743 ( -4.601 1.856 0.821) 5.029 9.134 ( -16.837 -0.346 -12.624) 21.047 9.553 ( -1.168 5.290 2.456) 5.948 11.281 ( -6.365 2.633 -1.928) 7.153 11.922 ( 0.002 -11.899 1.053) 11.945 12.900 ( -0.193 -3.438 0.051) 3.444 14.039 ( -5.432 11.135 0.226) 12.391 15.760 ( 1.988 -2.528 -0.187) 3.222 16.887 ( 2.048 -9.047 1.900) 9.469 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( -4.494 6.941 -0.327) 8.275 3.681 ( 2.089 -2.770 -0.459) 3.500 4.039 ( -4.962 1.754 -2.673) 5.903 4.162 ( -2.466 13.133 -3.232) 13.748 5.459 ( -0.856 0.081 -0.832) 1.197 5.588 ( -0.777 -3.130 3.411) 4.694 6.329 ( 0.649 -4.729 -3.291) 5.798 6.442 ( 3.771 -8.100 -1.921) 9.139 7.157 ( 6.187 -9.262 0.315) 11.143 8.715 ( -1.294 2.159 0.491) 2.564 9.004 ( -1.655 10.930 6.170) 12.660 9.576 ( -3.154 4.717 2.748) 6.305 11.239 ( -3.090 6.345 -0.608) 7.084 11.857 ( 5.742 -10.678 -0.730) 12.145 12.877 ( 1.037 -2.180 -1.459) 2.821 14.049 ( -6.813 11.691 0.055) 13.531 15.764 ( 2.275 -3.725 -0.017) 4.365 16.856 ( 3.881 -7.870 -0.219) 8.777 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( -9.118 4.063 -1.605) 10.111 3.566 ( -12.671 -7.799 -2.854) 15.150 3.794 ( -8.932 2.684 -0.212) 9.329 4.443 ( 8.264 12.710 -2.913) 15.438 5.342 ( -7.365 -3.044 -4.157) 8.988 5.502 ( -5.139 -4.378 -0.925) 6.814 6.222 ( -4.250 -4.714 -10.560) 12.321 6.436 ( 7.198 -9.968 -1.378) 12.372 7.156 ( 4.357 -10.297 2.681) 11.498 8.746 ( -1.468 7.915 1.845) 8.259 9.290 ( 12.987 11.455 14.353) 22.492 9.568 ( -4.122 5.985 6.554) 9.786 11.296 ( 1.270 7.830 0.840) 7.976 11.904 ( 10.354 -7.152 -2.426) 12.816 12.884 ( 3.116 -1.638 -2.867) 4.540 14.037 ( -7.118 10.367 -0.129) 12.576 15.763 ( 1.317 -3.044 0.511) 3.355 16.863 ( 5.887 -6.655 -2.564) 9.248 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -13.314 2.201 -1.405) 13.568 3.148 ( -21.672 -8.184 -2.960) 23.354 3.721 ( -4.806 1.067 1.735) 5.219 4.591 ( -2.574 5.169 -7.480) 9.450 5.187 ( -5.647 -2.483 -0.701) 6.208 5.346 ( -5.927 -2.702 -0.006) 6.514 6.057 ( -3.017 -3.305 -11.286) 12.140 6.477 ( 8.139 -8.052 -1.176) 11.510 7.126 ( 3.303 -11.061 5.183) 12.654 8.826 ( -0.448 9.346 1.248) 9.440 9.442 ( -3.542 1.672 -2.677) 4.745 9.862 ( 15.540 14.649 23.095) 31.456 11.444 ( 6.137 7.364 1.872) 9.767 12.052 ( 13.057 -2.606 -3.234) 13.702 12.945 ( 6.895 -1.075 -2.777) 7.511 14.012 ( -6.032 7.870 -0.358) 9.922 15.744 ( -1.484 -1.483 1.090) 2.364 16.907 ( 7.515 -5.511 -4.616) 10.400 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -18.410 0.952 -0.098) 18.435 2.649 ( -23.590 -9.102 -1.320) 25.320 3.627 ( -6.653 -1.170 1.055) 6.837 4.341 ( -21.917 -3.740 -10.468) 24.575 5.003 ( -13.052 -8.046 4.770) 16.058 5.310 ( 1.682 1.847 1.104) 2.731 6.097 ( 11.681 6.826 -6.487) 15.004 6.543 ( 6.953 -4.354 -1.327) 8.310 7.093 ( 3.204 -10.980 8.447) 14.219 8.911 ( 0.827 5.651 -1.395) 5.879 9.367 ( -5.305 2.985 -3.800) 7.175 10.329 ( 12.948 10.594 15.783) 23.000 11.668 ( 10.093 6.575 2.333) 12.270 12.285 ( 15.638 0.987 -2.406) 15.853 13.096 ( 11.703 0.046 -0.744) 11.727 13.988 ( -3.930 5.119 -0.618) 6.484 15.679 ( -5.748 -0.220 1.427) 5.927 16.977 ( 7.987 -4.452 -5.782) 10.819 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -26.249 -8.208 0.200) 27.503 2.190 ( -22.649 -0.798 1.678) 22.725 3.440 ( -12.670 -7.995 -2.141) 15.134 3.770 ( -30.762 -1.894 -7.999) 31.842 4.595 ( -22.143 -11.395 3.397) 25.134 5.399 ( 4.278 2.148 2.145) 5.245 6.475 ( 15.826 3.103 1.436) 16.191 6.670 ( 11.371 10.553 -3.988) 16.018 7.099 ( 6.412 -9.056 14.655) 18.382 8.939 ( 1.809 -2.937 -5.367) 6.380 9.315 ( -4.047 6.608 -4.840) 9.136 10.600 ( 4.224 4.659 6.501) 9.045 11.934 ( 11.651 5.626 2.338) 13.148 12.611 ( 19.698 3.069 -0.428) 19.941 13.345 ( 15.165 1.191 1.767) 15.314 13.976 ( -1.592 2.739 -0.790) 3.265 15.542 ( -10.488 0.208 1.487) 10.595 17.048 ( 6.747 -3.472 -5.562) 9.408 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -28.033 -9.064 0.715) 29.470 1.771 ( -27.624 2.169 3.166) 27.889 2.800 ( -40.616 -12.357 -7.860) 43.175 3.416 ( -12.676 2.638 -0.720) 12.968 4.071 ( -25.561 -8.589 1.864) 27.030 5.495 ( 3.835 1.047 1.420) 4.221 6.590 ( 3.017 -1.866 0.891) 3.658 6.944 ( 3.425 2.880 -1.993) 4.898 7.476 ( 30.311 9.229 17.822) 36.354 8.891 ( 2.818 -8.197 -7.872) 11.709 9.311 ( -2.461 6.042 -5.420) 8.482 10.629 ( -4.477 0.203 0.654) 4.529 12.189 ( 10.940 3.392 1.693) 11.578 13.021 ( 22.537 3.275 0.478) 22.779 13.642 ( 15.634 1.133 2.538) 15.879 13.982 ( 0.318 1.103 -0.616) 1.303 15.325 ( -14.684 -0.035 1.342) 14.745 17.099 ( 4.154 -2.239 -3.573) 5.919 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -28.079 0.000 0.000) 28.079 1.268 ( -32.485 0.000 0.000) 32.485 1.892 ( -50.489 0.000 0.000) 50.489 3.250 ( -8.093 0.000 0.000) 8.093 3.586 ( -23.516 0.000 0.000) 23.516 5.561 ( 2.674 -0.000 -0.000) 2.674 6.610 ( 0.444 -0.000 -0.000) 0.444 6.972 ( 0.133 -0.000 -0.000) 0.133 8.173 ( 33.277 -0.000 -0.000) 33.277 8.869 ( 3.891 -0.000 -0.000) 3.891 9.288 ( -2.680 0.000 0.000) 2.680 10.489 ( -10.317 0.000 0.000) 10.317 12.384 ( 8.509 -0.000 -0.000) 8.509 13.443 ( 22.471 -0.000 -0.000) 22.471 13.902 ( 11.703 -0.000 -0.000) 11.703 14.008 ( 2.377 -0.000 -0.000) 2.377 15.043 ( -17.233 0.000 0.000) 17.233 17.129 ( 1.528 -0.000 -0.000) 1.528 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 0.000 26.051 12.511) 28.900 1.446 ( -0.000 25.702 13.427) 28.997 2.153 ( 0.000 47.461 5.293) 47.756 3.220 ( 0.000 6.594 -3.103) 7.287 3.759 ( 0.000 26.459 -1.469) 26.500 5.530 ( 0.000 -1.305 -3.022) 3.292 6.646 ( -0.000 0.590 1.574) 1.681 6.859 ( 0.000 -1.017 -9.610) 9.664 8.510 ( -0.000 -39.636 35.186) 53.001 8.873 ( 0.000 -2.234 -10.824) 11.052 8.985 ( 0.000 3.140 -3.833) 4.955 10.504 ( 0.000 8.115 -2.355) 8.450 12.373 ( -0.000 -9.810 2.849) 10.215 13.291 ( -0.000 -18.725 -4.647) 19.293 13.826 ( 0.000 -12.515 -6.134) 13.938 13.959 ( 0.000 -1.721 -1.536) 2.307 15.249 ( -0.000 17.837 11.497) 21.222 16.942 ( 0.000 -1.059 -16.104) 16.139 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 1.644 25.450 11.098) 27.813 1.862 ( 8.558 23.581 5.561) 25.695 2.798 ( 17.376 36.045 6.964) 40.616 3.372 ( 9.273 9.067 -3.475) 13.427 4.059 ( 4.765 25.618 -2.306) 26.159 5.497 ( -1.902 -0.161 -1.670) 2.536 6.610 ( -4.142 -1.412 0.902) 4.468 6.817 ( 2.347 -5.378 -7.578) 9.584 7.829 ( -35.223 -20.972 10.564) 42.333 8.835 ( 3.960 -4.436 4.050) 7.194 9.238 ( 14.177 -3.418 -0.971) 14.616 10.596 ( 2.543 4.199 -3.383) 5.962 12.226 ( -5.005 -10.561 1.549) 11.789 13.020 ( -7.847 -18.485 -0.742) 20.095 13.577 ( -7.960 -13.984 -7.431) 17.724 13.961 ( 1.908 -0.995 -1.167) 2.448 15.477 ( 1.419 15.093 11.678) 19.136 16.925 ( 5.360 -4.610 -11.696) 13.666 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 11.939 23.827 6.021) 27.323 2.242 ( 7.410 20.765 3.236) 22.284 3.351 ( 11.417 13.573 2.289) 17.884 3.758 ( 19.778 19.943 -1.054) 28.107 4.421 ( 10.103 20.549 -2.382) 23.022 5.452 ( -3.668 1.660 0.785) 4.102 6.483 ( -6.387 -5.537 0.228) 8.456 6.763 ( 3.480 -13.228 -5.991) 14.932 7.125 ( -28.675 -7.150 9.022) 30.900 8.904 ( 4.941 -1.297 2.022) 5.494 9.376 ( 5.785 -1.704 0.234) 6.035 10.585 ( -4.894 -1.036 -7.949) 9.392 12.012 ( -8.234 -8.968 0.529) 12.186 12.670 ( -10.635 -16.543 2.499) 19.824 13.269 ( -6.708 -14.364 -7.377) 17.486 13.995 ( 2.025 1.594 -0.748) 2.683 15.665 ( -0.267 12.035 8.766) 14.891 16.918 ( 4.926 -9.611 -5.187) 11.981 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 16.218 19.444 1.092) 25.344 2.574 ( 6.221 20.314 4.299) 21.676 3.581 ( 5.597 6.495 -1.493) 8.703 4.304 ( 19.200 15.043 -4.720) 24.843 4.796 ( 11.764 15.064 1.498) 19.172 5.410 ( -4.733 3.180 2.711) 6.314 6.294 ( -7.619 -5.451 4.546) 10.413 6.558 ( -4.736 -17.854 5.591) 19.299 6.863 ( -2.959 -1.132 1.712) 3.601 8.968 ( 0.811 2.812 -1.847) 3.461 9.445 ( 3.461 0.015 1.644) 3.832 10.323 ( -15.736 -5.738 -15.938) 23.121 11.763 ( -10.346 -7.303 -0.126) 12.665 12.367 ( -9.144 -11.273 4.401) 15.168 13.020 ( -2.612 -13.472 -4.547) 14.457 14.061 ( 1.635 5.405 -0.563) 5.675 15.766 ( -2.707 8.028 5.456) 10.077 16.865 ( 3.796 -13.550 -0.660) 14.087 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 5.498 13.674 3.701) 15.196 3.028 ( 14.705 21.093 -1.042) 25.734 3.705 ( 3.351 4.884 -2.244) 6.334 4.638 ( 8.043 8.014 -11.313) 16.028 5.125 ( 7.643 9.635 8.127) 14.741 5.386 ( -0.921 3.529 3.512) 5.063 6.225 ( -0.308 -0.263 12.278) 12.284 6.368 ( -0.398 -15.735 8.357) 17.821 6.849 ( 4.588 -6.711 -0.904) 8.180 8.964 ( -4.855 5.373 -4.228) 8.385 9.520 ( 3.653 0.656 2.301) 4.367 9.851 ( -21.376 -6.353 -20.464) 30.267 11.531 ( -7.948 -4.624 -1.171) 9.269 12.122 ( -10.204 -7.838 4.588) 13.660 12.880 ( 1.456 -10.440 -1.471) 10.643 14.156 ( 0.288 10.155 -0.454) 10.169 15.776 ( -3.855 2.898 2.651) 5.504 16.782 ( 3.842 -15.662 1.527) 16.199 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 1.413 12.530 3.605) 13.115 3.423 ( 10.801 11.129 -4.860) 16.252 3.827 ( 4.850 9.487 -0.657) 10.675 4.664 ( -8.808 7.616 -10.987) 16.010 5.298 ( 5.203 2.732 5.659) 8.158 5.512 ( 5.468 2.557 8.583) 10.493 6.216 ( 2.570 -13.775 4.793) 14.809 6.355 ( 2.631 -0.152 11.566) 11.862 6.868 ( 7.910 -10.866 -0.346) 13.444 8.877 ( -8.189 3.668 -4.933) 10.240 9.389 ( -15.806 0.758 -18.987) 24.716 9.605 ( 1.708 1.533 5.966) 6.392 11.400 ( -3.815 0.762 -2.362) 4.551 11.878 ( -9.353 -8.604 4.124) 13.361 12.829 ( 2.548 -6.857 -0.707) 7.350 14.264 ( -2.841 14.951 -0.264) 15.221 15.724 ( -2.322 -2.530 0.827) 3.533 16.702 ( 4.886 -15.976 1.725) 16.795 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -4.138 10.175 0.770) 11.012 3.587 ( 5.484 -0.483 -3.090) 6.314 4.070 ( 5.649 14.284 -1.836) 15.470 4.479 ( -16.101 11.116 -7.607) 20.992 5.425 ( 4.805 0.168 1.559) 5.054 5.590 ( -0.361 -3.325 8.267) 8.918 6.153 ( 5.163 -14.235 3.528) 15.548 6.370 ( -2.267 -2.306 -4.877) 5.851 6.906 ( 9.178 -12.751 3.413) 16.077 8.779 ( -3.154 3.512 0.312) 4.731 9.211 ( -6.843 11.378 -7.201) 15.105 9.661 ( 0.349 1.269 6.540) 6.672 11.395 ( -1.814 8.936 -2.535) 9.464 11.670 ( -3.203 -11.895 3.009) 12.681 12.808 ( 2.177 -4.996 -2.035) 5.818 14.341 ( -7.610 17.587 -0.010) 19.163 15.671 ( 1.515 -5.781 0.020) 5.976 16.647 ( 6.419 -15.188 0.578) 16.499 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -8.411 6.023 -2.241) 10.585 3.628 ( -0.273 -0.808 0.363) 0.927 4.046 ( -15.435 3.051 -4.393) 16.336 4.499 ( 1.578 19.925 -5.004) 20.604 5.425 ( -5.113 -2.482 -1.409) 5.856 5.520 ( -2.520 -4.936 2.818) 6.217 6.135 ( 6.887 -12.395 1.514) 14.261 6.223 ( -3.216 -7.592 -13.422) 15.752 6.937 ( 7.355 -13.132 4.680) 15.762 8.859 ( 1.380 9.208 6.079) 11.120 9.301 ( 3.544 13.205 0.542) 13.683 9.697 ( -0.706 1.984 10.486) 10.696 11.449 ( -6.513 11.775 2.033) 13.609 11.604 ( 10.821 -9.814 -2.484) 14.818 12.788 ( 2.673 -4.935 -3.882) 6.824 14.342 ( -11.423 15.659 0.147) 19.383 15.672 ( 4.418 -4.378 0.121) 6.221 16.626 ( 8.210 -13.848 -1.248) 16.148 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -10.937 3.077 -2.606) 11.657 3.470 ( -19.288 0.529 -1.150) 19.330 3.832 ( -6.952 0.398 -0.220) 6.967 4.685 ( -0.631 14.650 -7.597) 16.514 5.268 ( -6.495 -2.419 -0.168) 6.933 5.421 ( -5.237 -2.719 -0.212) 5.905 6.027 ( -3.377 -6.133 -12.524) 14.349 6.178 ( 11.038 -13.134 0.094) 17.157 6.932 ( 5.500 -12.878 4.631) 14.749 8.986 ( -2.000 12.119 4.118) 12.955 9.475 ( 1.573 3.640 -2.542) 4.710 9.860 ( 9.524 9.889 20.152) 24.384 11.460 ( 1.176 1.620 2.808) 3.448 11.783 ( 11.778 3.848 -3.965) 13.009 12.788 ( 5.560 -5.464 -4.607) 9.055 14.268 ( -11.733 10.533 0.130) 15.768 15.724 ( 3.208 -0.207 0.862) 3.328 16.648 ( 10.075 -11.840 -3.128) 15.858 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -13.382 1.929 -1.250) 13.578 3.031 ( -27.571 -1.351 -1.275) 27.633 3.738 ( -5.739 -0.611 0.761) 5.821 4.642 ( -14.407 5.859 -8.022) 17.500 5.140 ( -8.102 -4.165 4.310) 10.078 5.328 ( -2.205 0.451 0.005) 2.251 5.964 ( 6.223 2.420 -9.044) 11.242 6.270 ( 13.236 -10.370 -1.611) 16.892 6.911 ( 4.607 -11.596 4.711) 13.337 9.053 ( -5.043 9.852 3.018) 11.472 9.448 ( -3.049 0.146 -2.724) 4.091 10.263 ( 13.610 9.938 15.404) 22.832 11.567 ( 8.371 1.309 1.893) 8.681 12.028 ( 12.196 4.734 -3.160) 13.459 12.865 ( 10.961 -4.361 -3.083) 12.193 14.162 ( -9.278 5.605 0.022) 10.840 15.760 ( -1.420 2.309 1.454) 3.075 16.720 ( 11.287 -8.509 -4.076) 14.711 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -29.948 -1.990 -0.361) 30.017 2.537 ( -16.484 0.859 0.152) 16.507 3.593 ( -9.975 -1.880 -0.150) 10.152 4.267 ( -27.579 1.165 -4.481) 27.965 4.868 ( -17.555 -5.831 2.153) 18.623 5.355 ( 3.000 1.182 1.029) 3.384 6.248 ( 16.467 8.247 -0.007) 18.417 6.442 ( 18.478 -2.886 -4.604) 19.260 6.899 ( 4.540 -9.738 4.640) 11.703 9.010 ( -7.933 2.981 1.037) 8.538 9.400 ( -2.225 1.761 -2.177) 3.576 10.571 ( 7.842 4.463 6.124) 10.905 11.778 ( 11.878 2.355 1.127) 12.162 12.297 ( 16.385 1.534 -1.268) 16.505 13.067 ( 15.717 -1.436 -0.626) 15.795 14.067 ( -5.817 2.154 -0.087) 6.203 15.715 ( -6.823 1.787 1.121) 7.142 16.838 ( 10.519 -4.077 -3.041) 11.684 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -30.206 0.000 0.000) 30.206 2.215 ( -21.248 0.000 0.000) 21.248 3.311 ( -22.777 0.000 0.000) 22.777 3.761 ( -26.131 0.000 0.000) 26.131 4.469 ( -23.610 0.000 0.000) 23.610 5.431 ( 4.238 -0.000 -0.000) 4.238 6.482 ( 8.219 -0.000 -0.000) 8.219 6.907 ( 3.096 -0.000 -0.000) 3.096 6.949 ( 33.369 -0.000 -0.000) 33.369 8.885 ( -6.100 0.000 0.000) 6.100 9.373 ( -2.109 0.000 0.000) 2.109 10.674 ( 0.716 -0.000 -0.000) 0.716 12.007 ( 11.998 -0.000 -0.000) 11.998 12.640 ( 21.588 -0.000 -0.000) 21.588 13.356 ( 17.210 -0.000 -0.000) 17.210 14.005 ( -2.414 0.000 0.000) 2.414 15.564 ( -11.462 0.000 0.000) 11.462 16.974 ( 7.689 -0.000 -0.000) 7.689 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 22.065 7.335) 23.252 1.983 ( -0.000 19.121 9.376) 21.296 3.075 ( 0.000 39.437 2.843) 39.540 3.352 ( 0.000 8.439 -3.280) 9.054 4.273 ( 0.000 24.492 -4.036) 24.823 5.527 ( 0.000 2.958 1.290) 3.228 6.650 ( -0.000 -1.054 0.304) 1.097 6.675 ( -0.000 -13.787 -3.968) 14.346 7.976 ( -0.000 -28.872 15.973) 32.996 8.779 ( 0.000 -1.480 -3.040) 3.381 9.062 ( 0.000 6.564 -1.323) 6.696 10.600 ( 0.000 3.260 -3.385) 4.699 12.142 ( -0.000 -14.138 1.094) 14.181 12.907 ( -0.000 -17.675 0.921) 17.699 13.477 ( 0.000 -16.501 -8.210) 18.430 13.921 ( 0.000 -1.073 -0.684) 1.272 15.650 ( -0.000 11.439 15.687) 19.415 16.799 ( 0.000 -1.376 -15.582) 15.642 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 3.022 21.173 5.087) 21.984 2.303 ( 8.710 15.945 6.181) 19.191 3.398 ( 1.643 16.269 -0.714) 16.367 3.628 ( 14.933 21.082 -3.602) 26.085 4.520 ( 3.531 21.126 -3.104) 21.643 5.562 ( -2.808 6.504 4.778) 8.545 6.495 ( 0.484 -19.542 0.509) 19.555 6.585 ( -4.405 -5.519 -1.133) 7.152 7.536 ( -22.343 -13.803 9.328) 27.870 8.818 ( 4.911 1.707 -1.710) 5.473 9.225 ( 8.001 3.180 -0.463) 8.622 10.605 ( -1.115 -0.293 -5.196) 5.322 11.983 ( -1.424 -13.761 0.358) 13.839 12.671 ( -7.174 -16.895 4.046) 18.796 13.206 ( -6.400 -16.122 -9.249) 19.658 13.950 ( 3.638 0.495 -0.640) 3.727 15.811 ( 0.733 7.984 14.068) 16.192 16.751 ( 1.634 -3.453 -11.812) 12.415 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 9.869 18.600 0.591) 21.064 2.647 ( 10.192 16.300 6.511) 20.297 3.563 ( 3.554 8.437 -2.311) 9.442 4.080 ( 17.553 13.226 -9.717) 24.030 4.815 ( 7.305 18.471 2.119) 19.976 5.585 ( -6.008 8.500 6.660) 12.357 6.303 ( 3.082 -25.850 3.870) 26.319 6.406 ( -7.768 -5.481 2.597) 9.855 7.126 ( -18.432 -0.898 8.292) 20.231 8.943 ( 5.796 4.920 -4.533) 8.852 9.349 ( 4.585 0.418 -1.164) 4.749 10.455 ( -10.623 -4.853 -11.703) 16.533 11.821 ( -4.484 -10.180 1.336) 11.204 12.399 ( -6.130 -13.209 6.687) 16.024 12.913 ( -4.884 -14.901 -8.030) 17.618 14.046 ( 4.908 3.971 -1.001) 6.393 15.919 ( -1.507 5.276 10.571) 11.910 16.679 ( 0.633 -8.674 -6.536) 10.879 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 9.830 11.432 1.076) 15.115 3.061 ( 11.689 22.104 3.031) 25.188 3.671 ( 3.256 3.535 -3.766) 6.106 4.435 ( 16.287 6.589 -13.286) 22.027 5.142 ( 8.098 13.992 7.018) 17.624 5.553 ( -9.419 7.654 5.279) 13.235 6.123 ( 5.169 -26.448 7.164) 27.885 6.301 ( -2.435 -0.568 11.335) 11.607 6.899 ( -11.426 0.874 5.859) 12.871 9.058 ( 1.227 7.979 -6.993) 10.680 9.406 ( 4.605 -3.202 -2.119) 5.996 10.069 ( -18.444 -6.913 -17.917) 26.627 11.614 ( -8.357 -7.642 2.627) 11.625 12.252 ( -5.845 -4.044 6.503) 9.633 12.701 ( 1.584 -14.595 -4.557) 15.372 14.195 ( 5.326 8.387 -1.253) 10.014 15.930 ( -5.782 3.198 6.740) 9.439 16.558 ( 1.333 -14.591 -2.379) 14.843 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 8.172 8.371 3.649) 12.254 3.428 ( 3.679 16.770 -5.458) 18.016 3.787 ( 9.052 6.392 -1.126) 11.139 4.696 ( 9.962 7.641 -13.226) 18.236 5.370 ( -1.122 7.040 9.336) 11.747 5.491 ( -2.137 3.231 4.794) 6.164 6.006 ( 5.762 -20.808 8.074) 23.052 6.372 ( 2.778 1.529 15.297) 15.622 6.752 ( -5.892 -3.686 2.747) 7.474 9.060 ( -8.115 7.153 -7.434) 13.126 9.417 ( 3.106 -6.434 -11.977) 13.946 9.673 ( -10.672 -1.231 -8.330) 13.594 11.439 ( -4.932 -4.464 3.402) 7.472 12.080 ( -13.243 0.134 2.928) 13.564 12.653 ( 7.236 -10.707 -0.836) 12.950 14.391 ( 4.650 13.420 -1.203) 14.254 15.829 ( -9.362 0.280 3.273) 9.921 16.432 ( 4.482 -18.929 0.159) 19.453 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 2.380 7.740 4.044) 9.051 3.497 ( 1.280 1.669 -7.857) 8.134 4.103 ( 9.479 16.914 -1.302) 19.432 4.802 ( -6.088 13.456 -11.472) 18.701 5.367 ( -0.435 -0.502 6.887) 6.919 5.555 ( 2.919 -4.165 6.677) 8.394 5.953 ( 4.640 -14.426 8.876) 17.562 6.425 ( -5.645 1.082 0.146) 5.750 6.661 ( 4.259 -10.496 6.061) 12.847 8.907 ( -8.049 3.568 -4.133) 9.726 9.351 ( -1.471 5.622 -14.855) 15.952 9.627 ( 3.109 -2.676 3.685) 5.514 11.377 ( 0.365 -3.208 3.612) 4.845 11.856 ( -13.915 4.027 1.393) 14.553 12.676 ( 5.204 -7.317 -1.424) 9.091 14.602 ( 0.360 18.488 -0.731) 18.506 15.658 ( -7.369 -4.264 1.012) 8.574 16.340 ( 7.565 -20.155 0.714) 21.540 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( -6.835 3.196 -2.835) 8.061 3.576 ( 6.251 1.497 0.639) 6.460 4.310 ( -6.377 11.594 -4.383) 13.939 4.753 ( -8.764 19.093 -6.833) 22.092 5.408 ( 3.173 -3.016 2.240) 4.918 5.524 ( -1.752 -7.312 5.651) 9.406 5.923 ( 3.509 -12.019 9.175) 15.522 6.215 ( -9.283 -4.698 -16.442) 19.458 6.697 ( 7.229 -11.041 7.270) 15.067 8.932 ( 2.651 8.896 6.033) 11.071 9.380 ( 0.642 9.027 -8.877) 12.677 9.679 ( 4.628 -3.546 5.633) 8.107 11.368 ( 2.908 -8.952 2.487) 9.736 11.746 ( -8.483 15.037 1.810) 17.360 12.662 ( 2.827 -7.539 -3.880) 8.938 14.719 ( -10.125 18.612 0.046) 21.187 15.554 ( 2.274 -4.616 -0.078) 5.147 16.294 ( 9.847 -19.206 -0.115) 21.583 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( -8.540 0.568 -3.199) 9.137 3.683 ( 0.769 3.879 2.926) 4.919 4.076 ( -21.594 2.333 -4.000) 22.085 4.866 ( -2.485 19.833 -7.689) 21.416 5.343 ( -5.084 -6.322 3.414) 8.801 5.460 ( -1.552 -2.037 1.117) 2.794 5.903 ( 3.933 -11.515 5.270) 13.260 5.977 ( -2.927 -5.669 -14.725) 16.048 6.726 ( 6.140 -9.945 4.637) 12.574 9.125 ( 2.216 11.697 5.507) 13.117 9.462 ( 2.304 2.673 -3.757) 5.155 9.806 ( 10.128 1.869 9.659) 14.120 11.328 ( 4.519 -9.830 0.324) 10.824 11.859 ( -1.995 19.821 2.859) 20.125 12.608 ( 3.837 -9.795 -5.649) 11.941 14.620 ( -16.030 9.963 0.268) 18.875 15.644 ( 7.059 2.756 0.306) 7.584 16.301 ( 12.015 -16.160 -1.441) 20.189 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -9.999 0.025 -1.484) 10.109 3.543 ( -27.310 4.479 0.526) 27.680 3.799 ( -2.955 -2.439 -0.693) 3.894 4.906 ( -9.280 10.362 -6.552) 15.376 5.230 ( -4.038 -3.592 5.252) 7.536 5.390 ( -4.427 -0.242 -0.742) 4.495 5.837 ( 4.229 -3.190 -8.622) 10.119 5.974 ( 7.856 -6.499 2.077) 10.405 6.752 ( 4.844 -6.089 2.564) 8.193 9.241 ( -3.223 9.355 2.240) 10.145 9.454 ( -0.443 -3.335 -1.691) 3.766 10.127 ( 15.785 4.781 8.365) 18.493 11.373 ( 9.729 -4.907 -0.263) 10.900 12.023 ( -0.606 12.654 1.257) 12.731 12.608 ( 9.783 -7.581 -3.800) 12.947 14.415 ( -14.059 3.480 0.123) 14.484 15.783 ( 2.926 3.970 0.874) 5.008 16.394 ( 14.043 -8.808 -1.896) 16.685 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -12.478 0.000 0.000) 12.478 3.032 ( -30.813 0.000 0.000) 30.813 3.726 ( -5.778 0.000 0.000) 5.778 4.690 ( -19.346 0.000 0.000) 19.346 5.096 ( -10.787 0.000 0.000) 10.787 5.338 ( -0.689 0.000 0.000) 0.689 6.016 ( 17.536 -0.000 -0.000) 17.536 6.097 ( 10.617 -0.000 -0.000) 10.617 6.797 ( 3.523 -0.000 -0.000) 3.523 9.189 ( -8.316 0.000 0.000) 8.316 9.424 ( -0.570 0.000 0.000) 0.570 10.428 ( 12.750 -0.000 -0.000) 12.750 11.562 ( 13.305 -0.000 -0.000) 13.305 12.112 ( 5.583 -0.000 -0.000) 5.583 12.786 ( 14.376 -0.000 -0.000) 14.376 14.218 ( -10.086 0.000 0.000) 10.086 15.809 ( -2.264 0.000 0.000) 2.264 16.595 ( 13.443 -0.000 -0.000) 13.443 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 0.000 16.976 2.960) 17.232 2.359 ( 0.000 12.998 5.418) 14.082 3.505 ( 0.000 8.413 -2.738) 8.848 3.719 ( 0.000 22.810 -6.187) 23.634 4.686 ( 0.000 19.952 -1.413) 20.002 5.693 ( -0.000 7.821 8.998) 11.922 6.241 ( -0.000 -25.409 1.895) 25.480 6.604 ( -0.000 -2.958 -1.415) 3.279 7.591 ( -0.000 -15.900 2.090) 16.037 8.797 ( 0.000 4.525 0.087) 4.525 9.233 ( 0.000 9.570 2.687) 9.940 10.591 ( 0.000 -1.475 -3.691) 3.975 11.826 ( -0.000 -16.418 -1.609) 16.497 12.589 ( -0.000 -16.037 5.740) 17.033 13.065 ( 0.000 -16.587 -10.961) 19.881 13.907 ( -0.000 -0.223 0.336) 0.403 15.902 ( -0.000 2.672 12.955) 13.228 16.701 ( 0.000 1.769 -10.812) 10.955 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 4.640 15.891 -0.035) 16.555 2.607 ( 9.955 10.244 5.361) 15.257 3.599 ( 1.783 7.926 -2.611) 8.533 3.933 ( 8.218 10.413 -11.912) 17.829 4.924 ( 3.329 19.994 3.106) 20.506 5.742 ( -0.042 -7.476 12.903) 14.912 6.039 ( -1.474 -11.375 1.040) 11.518 6.504 ( -6.185 -3.210 -0.180) 6.971 7.369 ( -9.240 -7.743 1.822) 12.192 8.883 ( 3.208 6.004 -1.397) 6.949 9.352 ( 0.451 7.836 1.988) 8.097 10.513 ( -5.191 -4.488 -6.788) 9.652 11.694 ( 3.999 -13.803 -1.124) 14.414 12.387 ( -6.262 -15.536 7.857) 18.502 12.822 ( -4.274 -13.844 -10.639) 17.975 13.970 ( 6.098 1.583 -0.014) 6.300 15.962 ( 1.581 -1.724 9.244) 9.535 16.661 ( -3.955 1.603 -6.237) 7.557 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 7.052 11.120 -0.123) 13.168 2.990 ( 17.709 13.225 3.734) 22.415 3.669 ( -0.141 4.373 -4.986) 6.634 4.162 ( 14.942 4.202 -11.957) 19.593 5.201 ( 4.481 16.293 5.339) 17.721 5.662 ( 6.642 -24.504 12.339) 28.228 5.931 ( -9.716 5.308 1.462) 11.168 6.395 ( -4.107 0.109 6.476) 7.670 7.155 ( -11.486 -1.342 4.375) 12.364 9.009 ( 5.732 4.671 -4.079) 8.445 9.396 ( -2.772 4.688 -1.355) 5.613 10.231 ( -14.941 -7.870 -14.075) 21.984 11.642 ( -0.249 -7.744 1.391) 7.872 12.213 ( 2.094 -11.736 9.942) 15.523 12.579 ( -5.224 -11.252 -8.539) 15.060 14.139 ( 8.777 5.705 -0.816) 10.500 15.978 ( 1.406 -6.017 6.439) 8.924 16.535 ( -8.886 -1.166 -2.853) 9.405 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 8.543 7.334 1.383) 11.344 3.471 ( 15.181 16.627 -0.011) 22.515 3.663 ( 2.617 -0.616 -5.738) 6.337 4.457 ( 17.419 4.197 -9.293) 20.185 5.406 ( 3.125 5.199 5.082) 7.914 5.624 ( 10.236 -18.643 10.662) 23.791 5.795 ( -13.050 6.169 2.628) 14.672 6.414 ( 0.166 2.555 12.256) 12.520 6.954 ( -13.019 0.254 5.394) 14.094 9.141 ( 6.679 2.933 -5.988) 9.438 9.326 ( -7.808 0.267 -6.626) 10.244 9.814 ( -14.334 -6.386 -14.663) 21.477 11.524 ( -6.209 -3.306 5.279) 8.795 12.265 ( -1.426 0.194 5.747) 5.925 12.371 ( 4.902 -14.531 -4.588) 16.007 14.382 ( 9.600 10.804 -1.325) 14.513 15.934 ( -0.134 -8.677 4.593) 9.819 16.313 ( -11.070 -5.884 -1.245) 12.598 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 8.973 4.884 2.574) 10.536 3.534 ( -4.648 1.168 -7.174) 8.628 4.016 ( 18.624 13.512 -0.601) 23.017 4.770 ( 14.670 6.649 -8.173) 18.061 5.466 ( 2.521 -3.986 4.193) 6.310 5.594 ( -13.940 3.236 6.321) 15.644 5.712 ( 8.268 -10.814 6.922) 15.271 6.498 ( 1.179 1.407 10.473) 10.633 6.724 ( -14.728 -1.715 3.811) 15.310 9.086 ( -11.279 -0.760 -9.998) 15.092 9.256 ( 6.569 1.048 -6.924) 9.601 9.598 ( -2.574 -1.953 -6.268) 7.052 11.432 ( -5.283 -0.006 8.252) 9.798 12.091 ( -9.389 -0.806 -4.678) 10.520 12.472 ( 9.656 -6.313 2.849) 11.883 14.682 ( 9.311 16.025 -1.397) 18.586 15.819 ( -7.491 -5.094 2.947) 9.526 16.053 ( -3.623 -15.909 -0.497) 16.324 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( -3.436 1.361 -0.549) 3.736 3.465 ( 6.426 1.245 -2.087) 6.870 4.409 ( 9.457 12.709 -2.472) 16.033 5.008 ( 2.881 12.589 -9.081) 15.787 5.380 ( -8.315 -2.388 5.916) 10.480 5.483 ( 0.003 -4.082 4.413) 6.011 5.759 ( 6.814 -11.622 7.526) 15.432 6.387 ( -18.196 -1.046 -6.998) 19.524 6.559 ( 1.505 -5.099 8.152) 9.732 8.994 ( 0.890 5.962 0.578) 6.056 9.344 ( 5.347 -0.143 -5.601) 7.745 9.568 ( 2.778 -2.000 -3.965) 5.238 11.360 ( -5.808 -1.916 6.950) 9.258 11.983 ( -3.538 6.917 -2.147) 8.060 12.528 ( 2.844 -5.958 -0.626) 6.631 14.996 ( 3.569 20.679 -0.821) 21.001 15.583 ( -12.117 -3.236 0.632) 12.557 15.911 ( 8.783 -22.073 0.429) 23.760 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( -7.103 -0.259 -2.110) 7.414 3.628 ( 7.494 1.519 1.307) 7.757 4.465 ( -14.792 5.127 -2.227) 15.813 5.084 ( -3.174 17.046 -7.844) 19.030 5.313 ( 0.432 -9.885 6.175) 11.663 5.448 ( -0.227 -1.521 1.686) 2.282 5.788 ( 4.930 -7.142 7.559) 11.509 6.024 ( -15.176 -2.307 -10.730) 18.729 6.573 ( 3.744 -4.412 3.139) 6.583 9.184 ( 6.441 10.589 5.647) 13.620 9.393 ( 4.208 -4.448 -3.090) 6.859 9.638 ( 8.866 -0.612 -1.658) 9.040 11.250 ( -3.790 -3.685 2.130) 5.699 12.088 ( 1.412 14.663 3.150) 15.064 12.445 ( -1.346 -10.426 -4.187) 11.315 15.024 ( -18.607 8.694 0.204) 20.539 15.556 ( 7.801 6.871 -0.296) 10.400 15.898 ( 13.378 -18.174 -0.076) 22.567 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( -8.273 0.000 0.000) 8.273 3.747 ( 4.367 -0.000 -0.000) 4.367 4.083 ( -27.388 0.000 0.000) 27.388 5.124 ( -8.847 0.000 0.000) 8.847 5.225 ( 1.849 -0.000 -0.000) 1.849 5.446 ( -1.429 0.000 0.000) 1.429 5.794 ( -5.402 0.000 0.000) 5.402 5.851 ( 4.430 -0.000 -0.000) 4.430 6.635 ( 5.293 -0.000 -0.000) 5.293 9.346 ( -0.347 0.000 0.000) 0.347 9.392 ( 3.228 -0.000 -0.000) 3.228 9.870 ( 16.445 -0.000 -0.000) 16.445 11.221 ( 3.339 -0.000 -0.000) 3.339 12.209 ( -8.179 0.000 0.000) 8.179 12.361 ( 10.084 -0.000 -0.000) 10.084 14.720 ( -18.266 0.000 0.000) 18.266 15.737 ( 5.607 -0.000 -0.000) 5.607 16.064 ( 16.337 -0.000 -0.000) 16.337 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( 0.000 8.386 2.678) 8.803 2.655 ( 0.000 12.116 0.310) 12.120 3.644 ( 0.000 6.674 -2.038) 6.978 3.895 ( 0.000 3.993 -14.025) 14.583 5.120 ( 0.000 20.410 5.147) 21.049 5.516 ( -0.000 -31.924 11.374) 33.889 6.138 ( 0.000 13.070 3.485) 13.527 6.524 ( 0.000 -3.377 -2.034) 3.942 7.330 ( -0.000 -9.469 -3.957) 10.262 8.949 ( 0.000 9.110 1.486) 9.231 9.465 ( -0.000 9.732 5.261) 11.063 10.498 ( 0.000 -4.792 -3.636) 6.015 11.478 ( -0.000 -15.416 -3.528) 15.815 12.322 ( -0.000 -15.408 7.401) 17.094 12.691 ( 0.000 -11.398 -11.041) 15.869 13.912 ( -0.000 0.257 0.756) 0.798 15.941 ( -0.000 -3.802 4.563) 5.939 16.728 ( 0.000 4.485 -1.976) 4.901 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( 3.415 9.021 0.660) 9.668 2.809 ( 13.410 8.035 1.030) 15.667 3.703 ( -0.218 4.172 -3.766) 5.625 3.933 ( 8.715 0.680 -11.607) 14.531 5.275 ( 5.124 -29.797 9.204) 31.605 5.348 ( 1.642 16.335 6.088) 17.510 6.216 ( -8.036 11.473 2.804) 14.285 6.466 ( -1.822 -0.447 1.903) 2.672 7.226 ( -1.339 -5.825 -2.905) 6.645 9.035 ( -1.145 8.422 1.526) 8.635 9.532 ( -4.468 7.381 2.963) 9.123 10.337 ( -10.280 -7.205 -8.148) 14.966 11.433 ( 10.998 -10.442 -1.648) 15.254 12.137 ( -4.565 -14.369 7.159) 16.690 12.533 ( -2.996 -7.607 -7.965) 11.414 14.008 ( 9.183 1.897 0.253) 9.381 15.907 ( -0.064 -5.976 2.092) 6.332 16.707 ( -7.037 3.590 0.478) 7.914 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 5.953 6.367 0.772) 8.750 3.219 ( 22.686 7.707 0.359) 23.962 3.674 ( -2.890 0.611 -6.439) 7.084 4.150 ( 16.818 1.788 -6.342) 18.063 5.168 ( 10.497 -23.672 7.236) 26.887 5.535 ( 1.121 10.844 5.194) 12.076 6.127 ( -12.492 7.615 2.092) 14.778 6.486 ( -0.481 3.270 7.756) 8.430 7.127 ( -5.073 -2.560 -0.116) 5.684 9.091 ( -0.775 4.552 1.203) 4.771 9.488 ( -7.395 4.842 -2.175) 9.103 9.960 ( -16.725 -8.579 -13.296) 23.024 11.542 ( 5.538 -2.716 0.762) 6.215 12.029 ( 6.953 -12.495 7.323) 16.066 12.374 ( -5.382 -4.124 -4.847) 8.335 14.255 ( 13.994 5.787 -0.434) 15.149 15.824 ( -1.010 -9.435 1.112) 9.554 16.554 ( -13.781 1.895 1.225) 13.965 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 7.919 3.830 1.048) 8.859 3.584 ( -2.269 -1.610 -5.245) 5.937 3.732 ( 23.561 8.264 -0.318) 24.970 4.479 ( 19.472 2.516 -4.114) 20.061 5.211 ( 13.699 -14.449 4.607) 20.437 5.633 ( -0.624 4.032 4.162) 5.829 5.955 ( -15.788 5.301 2.306) 16.813 6.545 ( -0.109 2.475 8.435) 8.791 6.979 ( -10.970 -0.497 2.564) 11.277 9.080 ( -2.324 -3.242 -3.562) 5.347 9.361 ( -9.989 6.248 -6.196) 13.312 9.614 ( -7.031 -5.710 -7.346) 11.662 11.564 ( -3.031 3.071 6.337) 7.666 12.057 ( 3.948 -12.338 -5.733) 14.166 12.314 ( 4.199 0.736 3.911) 5.786 14.598 ( 15.598 10.410 -0.811) 18.770 15.697 ( -0.418 -12.906 0.796) 12.937 16.278 ( -18.932 0.089 0.999) 18.959 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 9.018 1.690 0.907) 9.219 3.492 ( -4.623 -0.625 -2.809) 5.446 4.211 ( 21.520 5.209 -0.718) 22.153 4.830 ( 18.098 2.730 -2.800) 18.516 5.373 ( 13.404 -4.073 2.203) 14.181 5.621 ( -3.465 -1.946 2.527) 4.709 5.692 ( -18.306 1.339 2.059) 18.470 6.566 ( -1.865 0.320 3.642) 4.105 6.725 ( -18.836 -0.387 1.719) 18.919 8.982 ( 0.851 -1.681 -4.759) 5.118 9.297 ( -2.538 2.705 -0.259) 3.718 9.512 ( 0.367 -1.982 -4.027) 4.503 11.531 ( -8.550 2.791 6.663) 11.193 11.972 ( 2.935 -4.186 -6.190) 8.029 12.440 ( 5.042 -0.437 2.404) 5.602 14.999 ( 15.828 14.019 -0.853) 21.161 15.574 ( 2.604 -14.664 0.699) 14.910 15.911 ( -21.763 -1.353 0.439) 21.809 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( -5.870 0.000 0.000) 5.870 3.489 ( 9.080 -0.000 -0.000) 9.080 4.534 ( 9.945 -0.000 -0.000) 9.945 5.121 ( 12.665 -0.000 -0.000) 12.665 5.359 ( -16.683 0.000 0.000) 16.683 5.514 ( -5.916 0.000 0.000) 5.916 5.608 ( 11.346 -0.000 -0.000) 11.346 6.346 ( -22.338 0.000 0.000) 22.338 6.537 ( -1.003 0.000 0.000) 1.003 9.091 ( 10.775 -0.000 -0.000) 10.775 9.291 ( 1.065 -0.000 -0.000) 1.065 9.530 ( 3.252 -0.000 -0.000) 3.252 11.373 ( -10.156 0.000 0.000) 10.156 12.054 ( 7.485 -0.000 -0.000) 7.485 12.458 ( -2.832 0.000 0.000) 2.832 15.360 ( 2.415 -0.000 -0.000) 2.415 15.521 ( 4.431 -0.000 -0.000) 4.431 15.559 ( -7.033 0.000 0.000) 7.033 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 0.000 4.807 1.173) 4.948 2.855 ( 0.000 7.811 -0.495) 7.826 3.742 ( 0.000 4.117 -1.302) 4.318 3.797 ( 0.000 -2.699 -11.541) 11.852 4.963 ( -0.000 -26.602 8.089) 27.805 5.518 ( 0.000 14.225 4.660) 14.968 6.430 ( 0.000 11.033 3.724) 11.644 6.451 ( 0.000 -2.340 -1.494) 2.776 7.151 ( 0.000 -5.138 -4.428) 6.782 9.153 ( 0.000 8.914 1.929) 9.121 9.676 ( -0.000 6.919 5.045) 8.563 10.362 ( 0.000 -5.708 -3.154) 6.521 11.178 ( -0.000 -10.994 -3.641) 11.581 12.065 ( -0.000 -12.711 3.068) 13.076 12.473 ( 0.000 -4.805 -5.229) 7.101 13.924 ( -0.000 0.349 0.614) 0.706 15.868 ( -0.000 -4.013 0.270) 4.022 16.812 ( -0.000 3.217 1.676) 3.628 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 12.241 2.685 4.089) 13.182 2.950 ( 5.459 6.135 -3.772) 9.037 3.696 ( -2.174 -0.919 -5.662) 6.134 3.891 ( 11.236 1.011 -3.428) 11.790 4.813 ( 6.745 -18.850 5.636) 20.799 5.652 ( -0.217 9.250 3.378) 9.849 6.361 ( -6.829 2.197 0.295) 7.179 6.545 ( 0.360 4.847 3.620) 6.061 7.107 ( 0.915 -3.317 -3.366) 4.813 9.216 ( -2.919 6.973 2.756) 8.047 9.671 ( -7.903 4.027 2.884) 9.327 10.132 ( -15.520 -6.563 -7.446) 18.423 11.261 ( 17.276 -5.336 -1.141) 18.118 11.928 ( -2.682 -8.954 3.100) 9.848 12.395 ( -2.850 -2.784 -2.939) 4.951 14.044 ( 12.072 1.318 0.212) 12.145 15.803 ( -3.071 -4.051 -0.144) 5.086 16.776 ( -7.853 1.994 1.562) 8.251 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( 5.341 2.300 0.647) 5.851 3.311 ( 23.388 1.981 -0.699) 23.482 3.639 ( -1.551 -0.145 -2.752) 3.162 4.150 ( 17.670 0.835 -1.694) 17.771 4.858 ( 12.669 -9.187 2.740) 15.888 5.714 ( -1.536 3.930 1.868) 4.614 6.240 ( -10.748 2.503 0.868) 11.070 6.593 ( 0.028 2.054 3.772) 4.295 7.073 ( -1.615 -1.499 -1.258) 2.537 9.193 ( -7.942 2.828 3.058) 8.968 9.548 ( -8.053 2.357 -1.788) 8.579 9.736 ( -16.877 -5.037 -6.407) 18.742 11.533 ( 13.553 0.797 0.024) 13.577 11.853 ( 1.972 -6.522 2.275) 7.183 12.312 ( -2.461 -0.801 -0.913) 2.744 14.346 ( 18.929 2.692 -0.101) 19.119 15.678 ( -5.888 -4.188 -0.051) 7.226 16.592 ( -14.914 0.768 0.824) 14.956 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 7.625 -0.000 -0.000) 7.625 3.543 ( -1.370 0.000 0.000) 1.370 3.814 ( 24.170 -0.000 -0.000) 24.170 4.492 ( 20.256 -0.000 -0.000) 20.256 5.074 ( 15.948 -0.000 -0.000) 15.948 5.692 ( -3.466 0.000 0.000) 3.466 6.019 ( -16.082 0.000 0.000) 16.082 6.605 ( -0.962 0.000 0.000) 0.962 6.981 ( -9.157 0.000 0.000) 9.157 9.027 ( -9.051 0.000 0.000) 9.051 9.444 ( -11.115 0.000 0.000) 11.115 9.491 ( -1.120 0.000 0.000) 1.120 11.676 ( -0.854 0.000 0.000) 0.854 11.853 ( 3.351 -0.000 -0.000) 3.351 12.337 ( 5.656 -0.000 -0.000) 5.656 14.723 ( 20.950 -0.000 -0.000) 20.950 15.544 ( -5.435 0.000 0.000) 5.435 16.285 ( -20.103 0.000 0.000) 20.103 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( 0.000 1.582 0.331) 1.616 2.964 ( 0.000 2.962 -0.193) 2.968 3.683 ( 0.000 -1.949 -4.371) 4.786 3.792 ( 0.000 1.375 -0.456) 1.448 4.617 ( -0.000 -10.183 3.012) 10.619 5.737 ( 0.000 4.881 1.689) 5.165 6.412 ( 0.000 -0.794 -0.515) 0.946 6.605 ( 0.000 4.003 1.576) 4.302 7.061 ( 0.000 -1.569 -1.924) 2.483 9.303 ( 0.000 3.963 1.049) 4.100 9.799 ( -0.000 2.475 2.120) 3.259 10.250 ( 0.000 -2.865 -1.453) 3.213 11.002 ( -0.000 -4.005 -1.603) 4.314 11.892 ( -0.000 -4.795 0.418) 4.813 12.394 ( 0.000 -1.276 -1.132) 1.706 13.933 ( -0.000 0.157 0.223) 0.273 15.808 ( -0.000 -1.535 -0.247) 1.554 16.866 ( -0.000 1.049 0.957) 1.420 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 15.278 -0.000 -0.000) 15.278 2.999 ( 2.408 -0.000 -0.000) 2.408 3.655 ( -1.024 0.000 0.000) 1.024 3.895 ( 10.698 -0.000 -0.000) 10.698 4.635 ( 7.254 -0.000 -0.000) 7.254 5.759 ( -0.698 0.000 0.000) 0.698 6.378 ( -3.791 0.000 0.000) 3.791 6.617 ( -0.858 0.000 0.000) 0.858 7.059 ( 0.853 -0.000 -0.000) 0.853 9.309 ( -2.314 0.000 0.000) 2.314 9.726 ( -9.320 0.000 0.000) 9.320 10.023 ( -18.466 0.000 0.000) 18.466 11.202 ( 19.819 -0.000 -0.000) 19.819 11.844 ( -2.032 0.000 0.000) 2.032 12.359 ( -2.840 0.000 0.000) 2.840 14.059 ( 13.312 -0.000 -0.000) 13.312 15.760 ( -4.429 0.000 0.000) 4.429 16.802 ( -8.032 0.000 0.000) 8.032 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( -0.000 0.000 30.983) 30.983 0.331 ( -0.000 0.000 30.983) 30.983 0.545 ( -0.000 0.000 51.296) 51.296 3.095 ( 0.000 -0.000 -1.675) 1.675 3.095 ( 0.000 -0.000 -1.675) 1.675 5.585 ( 0.000 -0.000 -4.326) 4.326 6.609 ( -0.000 0.000 0.835) 0.835 6.609 ( -0.000 0.000 0.835) 0.835 8.963 ( 0.000 -0.000 -1.624) 1.624 8.963 ( 0.000 -0.000 -1.624) 1.624 10.180 ( 0.000 -0.000 -0.593) 0.593 11.597 ( -0.000 0.000 2.050) 2.050 12.549 ( -0.000 0.000 1.048) 1.048 12.549 ( -0.000 0.000 1.048) 1.048 14.019 ( 0.000 -0.000 -0.506) 0.506 14.019 ( 0.000 -0.000 -0.506) 0.506 14.159 ( 0.000 -0.000 -1.085) 1.085 16.753 ( 0.000 -0.000 -0.172) 0.172 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 22.286 12.867 10.454) 27.776 0.699 ( 16.311 9.417 22.072) 29.016 1.418 ( 42.336 24.443 27.379) 56.030 3.140 ( 3.689 2.130 -1.340) 4.465 3.259 ( 14.535 8.392 -3.328) 17.110 5.552 ( -1.235 -0.713 -5.602) 5.781 6.606 ( -0.054 -0.031 0.166) 0.178 6.792 ( 6.208 3.584 -14.328) 16.021 8.438 ( -35.908 -20.731 1.147) 41.479 9.007 ( 2.851 1.646 0.193) 3.298 9.789 ( -23.030 -13.296 40.947) 48.825 10.368 ( 7.657 4.421 7.295) 11.463 12.471 ( -5.755 -3.323 -0.484) 6.663 13.648 ( -8.202 -4.736 -18.964) 21.197 13.953 ( -4.942 -2.853 -9.821) 11.358 14.021 ( -0.340 -0.197 0.386) 0.551 14.680 ( 25.306 14.610 -6.005) 29.831 17.022 ( 10.532 6.081 -14.544) 18.959 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 22.470 12.973 10.189) 27.875 1.255 ( 23.244 13.420 3.624) 27.083 2.487 ( 40.654 23.471 20.804) 51.346 3.249 ( 5.783 3.339 -1.264) 6.796 3.698 ( 22.811 13.170 -4.944) 26.799 5.490 ( -2.321 -1.340 -5.698) 6.297 6.607 ( 0.216 0.125 -0.550) 0.604 6.847 ( 3.758 2.170 -13.285) 13.976 7.596 ( -34.058 -19.663 -5.545) 39.716 9.093 ( 4.020 2.321 2.121) 5.103 9.546 ( -11.757 -6.788 22.396) 26.189 10.549 ( 4.652 2.686 0.056) 5.372 12.285 ( -9.474 -5.470 -1.946) 11.111 13.284 ( -16.798 -9.698 -4.907) 20.008 13.730 ( -9.817 -5.668 -10.615) 15.530 14.007 ( -1.076 -0.621 1.098) 1.658 15.108 ( 13.903 8.027 3.887) 16.518 17.148 ( 4.057 2.342 -5.407) 7.155 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 20.258 11.696 1.985) 23.476 1.796 ( 23.858 13.775 4.860) 27.975 3.389 ( 6.281 3.627 -1.579) 7.423 3.439 ( 34.350 19.832 16.502) 42.960 4.235 ( 23.634 13.645 -6.629) 28.084 5.409 ( -2.940 -1.697 -3.710) 5.029 6.610 ( 0.162 0.093 -1.122) 1.137 6.839 ( -23.838 -13.763 -11.464) 29.817 6.902 ( 0.786 0.454 -4.300) 4.395 9.203 ( 4.328 2.499 3.770) 6.260 9.343 ( -11.512 -6.647 16.545) 21.224 10.538 ( -5.031 -2.905 -7.683) 9.632 12.028 ( -11.371 -6.565 -3.036) 13.476 12.873 ( -16.719 -9.652 -0.680) 19.317 13.457 ( -10.028 -5.789 -8.471) 14.346 13.981 ( -1.421 -0.821 1.429) 2.176 15.395 ( 9.507 5.489 4.417) 11.833 17.186 ( 0.089 0.051 -0.291) 0.308 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 16.195 9.350 1.876) 18.794 2.362 ( 23.222 13.407 2.267) 26.910 3.521 ( 5.371 3.101 -2.079) 6.541 4.179 ( 23.751 13.713 9.381) 28.985 4.717 ( 18.885 10.903 -6.138) 22.654 5.337 ( -2.378 -1.373 0.147) 2.750 6.340 ( -14.382 -8.303 4.924) 17.321 6.604 ( -0.311 -0.180 -1.371) 1.418 6.974 ( 5.341 3.084 -10.339) 12.038 9.127 ( -11.223 -6.480 13.252) 18.535 9.316 ( 3.912 2.259 4.664) 6.493 10.251 ( -15.502 -8.950 -16.328) 24.229 11.747 ( -11.306 -6.528 -3.506) 13.518 12.520 ( -13.165 -7.601 0.959) 15.232 13.219 ( -8.026 -4.634 -4.777) 10.427 13.954 ( -1.245 -0.719 1.357) 1.977 15.590 ( 6.136 3.542 2.894) 7.653 17.156 ( -2.668 -1.540 2.190) 3.780 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 11.821 6.825 1.970) 13.791 2.896 ( 21.771 12.570 0.836) 25.153 3.620 ( 3.692 2.132 -2.290) 4.839 4.545 ( 5.632 3.252 -5.022) 8.216 5.082 ( 12.602 7.276 2.541) 14.771 5.331 ( 2.784 1.607 5.321) 6.217 6.222 ( 0.319 0.184 12.907) 12.912 6.585 ( -0.859 -0.496 -1.310) 1.644 7.070 ( 5.545 3.201 -8.897) 10.962 8.923 ( -9.451 -5.457 10.645) 15.245 9.415 ( 3.028 1.748 4.582) 5.764 9.740 ( -21.051 -12.154 -20.888) 32.050 11.487 ( -9.516 -5.494 -3.288) 11.470 12.261 ( -9.369 -5.409 0.697) 10.841 13.051 ( -5.288 -3.053 -1.786) 6.362 13.934 ( -0.735 -0.424 1.025) 1.331 15.709 ( 3.525 2.035 1.220) 4.249 17.087 ( -3.814 -2.202 2.870) 5.256 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 7.143 4.124 1.432) 8.372 3.388 ( 20.079 11.593 -0.258) 23.187 3.680 ( 2.104 1.214 -1.687) 2.957 4.455 ( -8.466 -4.888 -11.275) 14.923 5.311 ( 7.104 4.101 4.585) 9.397 5.516 ( 7.274 4.200 10.936) 13.789 6.330 ( 3.140 1.813 8.783) 9.502 6.559 ( -0.923 -0.533 -1.166) 1.580 7.162 ( 4.515 2.607 -6.637) 8.440 8.776 ( -5.495 -3.173 7.489) 9.816 9.202 ( -17.461 -10.081 -14.281) 24.708 9.487 ( 1.762 1.017 3.804) 4.314 11.289 ( -6.272 -3.621 -2.610) 7.698 12.082 ( -5.976 -3.450 -0.482) 6.917 12.952 ( -2.948 -1.702 -0.939) 3.531 13.926 ( -0.287 -0.166 0.625) 0.708 15.771 ( 1.770 1.022 0.124) 2.048 17.009 ( -3.421 -1.975 2.214) 4.528 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 2.035 1.175 0.076) 2.351 3.713 ( 1.092 0.631 -0.175) 1.274 3.832 ( 18.031 10.410 -1.682) 20.888 4.146 ( -13.678 -7.897 -11.237) 19.384 5.446 ( 2.319 1.339 1.791) 3.222 5.641 ( -0.169 -0.098 7.834) 7.836 6.362 ( -1.414 -0.816 -3.498) 3.860 6.539 ( -0.311 -0.180 -1.123) 1.179 7.229 ( 2.735 1.579 -3.946) 5.053 8.710 ( -2.370 -1.369 -0.719) 2.830 8.937 ( -1.906 -1.100 11.217) 11.431 9.521 ( 0.102 0.059 2.797) 2.800 11.184 ( -1.862 -1.075 -1.799) 2.804 11.981 ( -2.159 -1.246 -1.620) 2.973 12.900 ( -1.190 -0.687 -1.951) 2.386 13.923 ( -0.148 -0.085 0.268) 0.318 15.799 ( 0.677 0.391 -0.174) 0.801 16.949 ( -1.966 -1.135 0.589) 2.346 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -2.978 -1.719 -1.170) 3.632 3.730 ( 0.097 0.056 1.332) 1.337 3.756 ( -16.238 -9.375 -9.501) 21.020 4.211 ( 14.824 8.559 -4.225) 17.632 5.389 ( -6.296 -3.635 -4.998) 8.822 5.583 ( -5.275 -3.046 1.289) 6.226 6.267 ( -4.390 -2.535 -7.914) 9.399 6.539 ( 0.667 0.385 -1.128) 1.366 7.261 ( 0.863 0.498 -1.330) 1.662 8.671 ( -0.358 -0.207 2.653) 2.685 9.171 ( 13.940 8.048 24.129) 29.005 9.509 ( -1.800 -1.039 1.739) 2.710 11.193 ( 3.078 1.777 -0.959) 3.682 11.972 ( 1.959 1.131 -2.466) 3.346 12.883 ( 0.725 0.418 -3.526) 3.624 13.919 ( -0.198 -0.114 -0.051) 0.234 15.804 ( -0.289 -0.167 0.271) 0.430 16.924 ( -0.002 -0.001 -1.666) 1.666 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -7.322 -4.227 -1.226) 8.543 3.323 ( -18.157 -10.483 -6.980) 22.097 3.719 ( -1.646 -0.950 1.835) 2.642 4.465 ( 7.368 4.254 -8.133) 11.770 5.216 ( -4.724 -2.727 -6.192) 8.252 5.424 ( -7.544 -4.356 -0.551) 8.729 6.109 ( -6.564 -3.789 -6.011) 9.673 6.561 ( 1.456 0.841 -0.961) 1.937 7.266 ( -0.487 -0.281 2.269) 2.338 8.710 ( 2.438 1.407 3.591) 4.562 9.450 ( -3.542 -2.045 0.476) 4.117 9.666 ( 19.258 11.119 24.874) 33.365 11.318 ( 7.556 4.362 0.033) 8.724 12.054 ( 5.791 3.343 -2.842) 7.266 12.919 ( 3.762 2.172 -4.198) 6.041 13.914 ( -0.113 -0.065 -0.394) 0.415 15.784 ( -1.789 -1.033 1.283) 2.432 16.937 ( 1.961 1.132 -4.206) 4.776 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -11.288 -6.517 0.052) 13.035 2.855 ( -20.240 -11.685 -3.845) 23.685 3.660 ( -3.912 -2.259 1.324) 4.707 4.410 ( -10.588 -6.113 -11.079) 16.499 5.115 ( -5.532 -3.194 -1.707) 6.612 5.311 ( -0.958 -0.553 3.601) 3.767 5.994 ( 1.746 1.008 -5.507) 5.864 6.595 ( 1.531 0.884 -0.443) 1.823 7.260 ( -1.414 -0.816 7.682) 7.854 8.798 ( 4.448 2.568 -0.610) 5.172 9.352 ( -4.605 -2.659 -1.093) 5.429 10.178 ( 16.582 9.573 18.594) 26.689 11.537 ( 10.659 6.154 1.211) 12.367 12.224 ( 9.668 5.582 -2.170) 11.373 13.042 ( 7.990 4.613 -3.055) 9.719 13.914 ( 0.299 0.172 -0.806) 0.877 15.722 ( -4.211 -2.431 2.634) 5.530 16.982 ( 3.352 1.935 -6.619) 7.667 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -15.456 -8.923 2.362) 18.002 2.346 ( -22.526 -13.006 -0.261) 26.012 3.547 ( -5.856 -3.381 0.266) 6.767 3.917 ( -26.692 -15.411 -10.575) 32.585 4.834 ( -17.973 -10.376 -0.698) 20.765 5.371 ( 3.282 1.895 6.271) 7.328 6.261 ( 21.001 12.125 -2.486) 24.377 6.624 ( 0.827 0.478 0.356) 1.019 7.267 ( -0.725 -0.418 15.406) 15.429 8.906 ( 5.789 3.342 -7.454) 10.012 9.234 ( -4.712 -2.721 -2.694) 6.072 10.527 ( 8.398 4.849 8.931) 13.183 11.812 ( 11.910 6.876 2.340) 13.950 12.501 ( 14.370 8.297 -0.209) 16.595 13.270 ( 11.776 6.799 -0.803) 13.622 13.924 ( 0.912 0.526 -1.256) 1.639 15.599 ( -7.392 -4.267 4.227) 9.525 17.039 ( 3.615 2.087 -8.549) 9.513 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -24.498 -14.144 3.939) 28.560 1.817 ( -19.982 -11.537 5.448) 23.708 3.132 ( -36.579 -21.119 -9.559) 43.306 3.397 ( -6.604 -3.813 -0.859) 7.674 4.327 ( -23.971 -13.840 0.513) 27.685 5.472 ( 3.459 1.997 2.994) 4.991 6.635 ( -0.098 -0.057 1.093) 1.099 6.772 ( 17.529 10.120 -4.862) 20.817 7.432 ( 12.271 7.085 30.029) 33.204 9.007 ( 5.855 3.381 -14.792) 16.264 9.119 ( -3.985 -2.301 -3.755) 5.939 10.631 ( -0.697 -0.402 1.089) 1.354 12.096 ( 11.169 6.448 3.040) 13.250 12.887 ( 17.961 10.370 0.785) 20.755 13.569 ( 13.261 7.656 0.655) 15.327 13.947 ( 1.398 0.807 -1.605) 2.277 15.404 ( -10.769 -6.218 6.213) 13.901 17.082 ( 2.711 1.565 -9.919) 10.401 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -25.307 -14.611 9.555) 30.744 1.323 ( -24.252 -14.002 9.444) 29.553 2.161 ( -43.189 -24.935 -6.848) 50.339 3.245 ( -5.651 -3.263 -1.652) 6.731 3.764 ( -23.254 -13.426 0.688) 26.860 5.546 ( 2.408 1.390 -0.135) 2.784 6.630 ( -0.633 -0.366 1.434) 1.610 6.946 ( 2.167 1.251 -5.864) 6.375 8.089 ( 28.954 16.717 39.349) 51.635 9.026 ( -2.676 -1.545 -3.870) 4.952 9.060 ( 3.734 2.156 -21.252) 21.685 10.527 ( -7.335 -4.235 -1.973) 8.696 12.341 ( 8.494 4.904 3.046) 10.270 13.323 ( 18.733 10.816 -1.300) 21.670 13.867 ( 11.411 6.588 -0.627) 13.191 13.976 ( 1.499 0.866 -1.654) 2.394 15.141 ( -13.753 -7.940 8.060) 17.809 17.093 ( 1.389 0.802 -11.322) 11.435 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -0.000 28.349 14.887) 32.020 0.969 ( -0.000 26.009 21.447) 33.711 1.310 ( -0.000 35.346 30.652) 46.785 3.105 ( 0.000 3.289 -3.483) 4.791 3.283 ( 0.000 18.253 -1.982) 18.360 5.533 ( 0.000 -0.803 -6.756) 6.804 6.635 ( -0.000 0.950 1.825) 2.058 6.750 ( 0.000 7.236 -11.730) 13.782 8.869 ( 0.000 -3.903 -8.473) 9.329 8.933 ( 0.000 0.511 -3.867) 3.900 9.657 ( -0.000 -61.518 52.709) 81.010 10.333 ( -0.000 5.490 3.863) 6.713 12.530 ( -0.000 -4.417 2.730) 5.192 13.538 ( 0.000 -3.812 -22.255) 22.579 13.985 ( 0.000 -4.842 -5.436) 7.280 13.988 ( 0.000 -1.618 -1.452) 2.174 14.740 ( 0.000 38.907 -5.465) 39.289 16.868 ( 0.000 3.867 -14.122) 14.642 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 2.362 21.251 20.970) 29.949 1.311 ( 5.980 31.539 6.425) 32.738 2.155 ( 33.040 30.032 20.696) 49.213 3.208 ( 6.293 5.847 -3.789) 9.389 3.556 ( 8.993 21.803 -2.358) 23.703 5.489 ( -1.391 -0.547 -6.894) 7.054 6.623 ( -2.211 0.421 1.082) 2.497 6.786 ( 1.842 3.427 -10.918) 11.591 8.150 ( -45.289 -10.979 -1.424) 46.622 8.998 ( 4.869 -3.805 3.005) 6.872 9.527 ( 8.869 -25.151 21.556) 34.292 10.484 ( 6.538 4.868 -0.018) 8.152 12.397 ( -8.330 -5.465 1.071) 10.020 13.342 ( -6.543 -13.563 -9.382) 17.742 13.782 ( -9.046 -8.513 -7.538) 14.530 13.991 ( 1.298 -2.177 -0.895) 2.688 15.123 ( 4.678 23.391 5.336) 24.444 16.962 ( 11.196 -2.296 -11.930) 16.521 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 14.046 19.534 12.259) 27.003 1.766 ( 9.688 25.949 3.678) 27.942 3.056 ( 30.393 17.882 12.774) 37.506 3.406 ( 8.815 13.460 -1.570) 16.166 3.998 ( 17.289 19.299 -3.202) 26.108 5.430 ( -2.438 -0.016 -5.372) 5.900 6.576 ( -1.948 -3.277 -0.351) 3.828 6.813 ( 2.582 1.998 -10.967) 11.443 7.308 ( -36.927 -8.478 1.169) 37.906 9.062 ( 6.588 -7.751 6.174) 11.899 9.475 ( -0.836 -8.928 10.439) 13.761 10.562 ( -1.247 0.400 -5.568) 5.720 12.163 ( -11.309 -5.927 -0.691) 12.787 13.000 ( -12.463 -14.853 -1.743) 19.467 13.495 ( -8.177 -10.383 -9.191) 16.098 13.989 ( 0.497 -1.001 0.050) 1.119 15.409 ( 3.053 15.299 7.763) 17.425 17.066 ( 8.441 -5.932 -6.063) 11.966 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 15.930 19.199 6.033) 25.667 2.196 ( 12.473 19.234 3.008) 23.121 3.452 ( 7.388 5.194 -1.206) 9.111 3.951 ( 24.154 18.965 3.749) 30.938 4.488 ( 18.577 15.175 -1.005) 24.009 5.373 ( -2.696 0.714 -2.199) 3.552 6.449 ( -6.394 -9.062 -0.213) 11.093 6.732 ( -14.901 -0.115 -0.754) 14.921 6.885 ( 0.919 -0.048 -2.249) 2.430 9.081 ( 3.102 -11.692 7.998) 14.502 9.431 ( -2.524 2.100 5.926) 6.775 10.380 ( -12.869 -5.173 -13.712) 19.504 11.887 ( -12.555 -5.579 -1.799) 13.856 12.635 ( -11.917 -13.015 1.292) 17.694 13.241 ( -5.460 -9.875 -6.894) 13.223 13.990 ( -0.649 1.447 0.459) 1.651 15.599 ( 1.445 9.742 6.080) 11.574 17.091 ( 4.416 -8.352 -1.548) 9.574 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 7.510 17.448 3.249) 19.272 2.672 ( 19.655 15.092 1.712) 24.839 3.590 ( 3.655 5.148 -2.407) 6.757 4.428 ( 12.857 9.238 -9.028) 18.224 4.938 ( 15.260 11.408 7.399) 20.439 5.343 ( -0.858 1.515 1.621) 2.379 6.285 ( -3.568 -2.315 9.970) 10.839 6.577 ( -3.516 -3.563 1.879) 5.347 6.941 ( 6.147 -1.384 -5.168) 8.150 8.993 ( -3.240 -8.956 6.809) 11.708 9.471 ( -0.259 5.262 5.036) 7.288 9.937 ( -21.057 -8.922 -19.527) 30.071 11.612 ( -11.503 -4.480 -2.588) 12.613 12.336 ( -9.273 -10.621 1.808) 14.215 13.060 ( -2.804 -7.876 -3.642) 9.119 14.000 ( -1.986 4.841 0.513) 5.257 15.705 ( 0.532 4.777 3.527) 5.962 17.050 ( 1.824 -9.753 0.879) 9.961 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 3.889 13.581 2.507) 14.348 3.159 ( 18.935 12.852 -1.052) 22.909 3.680 ( 1.874 5.278 -1.975) 5.939 4.516 ( -3.773 2.843 -15.468) 16.173 5.244 ( 7.251 4.760 7.119) 11.221 5.465 ( 8.074 4.936 10.798) 14.357 6.328 ( 2.134 0.845 9.958) 10.219 6.503 ( 0.412 -6.992 1.237) 7.112 7.023 ( 7.538 -3.423 -3.925) 9.162 8.862 ( -5.681 -4.362 3.962) 8.186 9.392 ( -18.851 -7.225 -18.247) 27.212 9.551 ( -1.761 5.429 7.112) 9.119 11.390 ( -8.798 -1.626 -2.973) 9.428 12.099 ( -6.148 -10.225 0.945) 11.968 12.950 ( -1.135 -5.392 -2.084) 5.891 14.021 ( -3.596 8.369 0.407) 9.117 15.749 ( 0.712 0.454 1.374) 1.612 16.976 ( 0.993 -10.025 1.563) 10.194 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -0.523 10.071 0.926) 10.127 3.550 ( 13.850 3.846 -3.342) 14.757 3.789 ( 4.368 11.328 -0.777) 12.166 4.315 ( -13.695 1.542 -14.460) 19.975 5.411 ( 5.083 2.237 4.528) 7.165 5.654 ( 2.886 0.528 11.810) 12.169 6.352 ( -0.571 -3.165 -1.484) 3.542 6.457 ( 2.241 -7.619 -0.759) 7.978 7.103 ( 7.385 -4.982 -1.603) 9.051 8.751 ( -3.724 -1.012 0.306) 3.871 9.062 ( -8.516 0.558 -0.012) 8.534 9.604 ( -2.320 5.850 6.745) 9.225 11.256 ( -5.744 2.748 -2.658) 6.900 11.925 ( -1.308 -10.762 -0.423) 10.850 12.886 ( -0.313 -3.530 -2.641) 4.420 14.042 ( -5.415 10.926 0.277) 12.198 15.759 ( 1.689 -2.557 0.138) 3.067 16.902 ( 1.541 -9.416 0.935) 9.587 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -5.126 6.539 -0.902) 8.357 3.668 ( 2.742 -3.143 -2.278) 4.752 3.981 ( -11.009 0.548 -8.207) 13.742 4.106 ( 4.810 16.516 -6.425) 18.363 5.449 ( -3.750 -1.135 -1.232) 4.107 5.633 ( -4.355 -4.470 3.497) 7.154 6.263 ( -2.269 -4.162 -7.609) 8.965 6.422 ( 4.831 -9.896 -1.287) 11.087 7.160 ( 5.767 -6.358 0.078) 8.585 8.735 ( -1.526 4.268 3.794) 5.911 9.114 ( 7.125 5.889 13.453) 16.323 9.633 ( -4.321 6.713 8.067) 11.350 11.227 ( -2.442 7.046 -1.610) 7.629 11.842 ( 4.747 -10.323 -2.005) 11.538 12.846 ( 0.743 -2.481 -4.274) 4.997 14.050 ( -6.897 11.639 0.147) 13.530 15.764 ( 2.446 -3.626 -0.050) 4.374 16.851 ( 2.943 -8.342 -0.621) 8.868 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -9.036 3.720 -1.497) 9.886 3.509 ( -14.561 -5.733 -8.078) 17.611 3.793 ( -5.616 2.898 0.097) 6.320 4.379 ( 7.533 12.133 -8.392) 16.565 5.279 ( -7.952 -1.458 -8.039) 11.401 5.501 ( -6.211 -4.687 -0.335) 7.788 6.138 ( -4.064 -6.367 -3.639) 8.385 6.424 ( 7.245 -9.905 -0.912) 12.305 7.179 ( 4.588 -8.085 1.731) 9.456 8.784 ( -1.968 7.807 5.337) 9.659 9.402 ( 9.063 2.051 7.124) 11.708 9.707 ( 1.596 12.484 18.424) 22.312 11.299 ( 1.520 9.170 -0.223) 9.298 11.873 ( 10.135 -7.627 -3.212) 13.085 12.839 ( 3.258 -1.754 -5.595) 6.708 14.037 ( -7.294 10.421 -0.023) 12.720 15.770 ( 1.750 -2.884 0.779) 3.462 16.834 ( 4.743 -7.069 -2.807) 8.964 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -12.675 2.161 -0.461) 12.866 3.100 ( -20.740 -6.297 -6.128) 22.524 3.737 ( -4.717 0.822 1.194) 4.935 4.488 ( -3.452 5.107 -11.220) 12.802 5.171 ( -3.624 0.752 -1.701) 4.073 5.345 ( -4.255 -1.789 -1.654) 4.903 5.984 ( -3.309 -5.567 -1.869) 6.740 6.465 ( 8.241 -8.353 -1.088) 11.784 7.178 ( 4.726 -10.052 4.517) 11.991 8.852 ( -2.136 9.041 3.536) 9.940 9.428 ( -4.135 0.125 -0.003) 4.137 10.093 ( 13.769 12.699 19.994) 27.397 11.459 ( 6.182 8.481 0.883) 10.532 12.018 ( 13.621 -3.097 -2.948) 14.276 12.901 ( 7.889 -0.705 -5.425) 9.600 14.009 ( -6.295 8.014 -0.263) 10.194 15.763 ( -1.045 -1.446 2.442) 3.024 16.854 ( 6.428 -5.559 -5.261) 9.995 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -17.683 0.970 1.702) 17.792 2.628 ( -22.147 -8.019 -2.694) 23.708 3.634 ( -7.027 -1.613 0.237) 7.214 4.235 ( -21.969 -2.375 -9.188) 23.931 5.006 ( -12.465 -5.756 -3.737) 14.229 5.363 ( 2.140 0.340 8.656) 8.923 6.046 ( 13.688 7.743 -3.081) 16.025 6.530 ( 7.476 -5.599 -1.167) 9.413 7.183 ( 6.296 -11.785 8.435) 15.801 8.903 ( -2.449 6.836 -0.303) 7.268 9.337 ( -6.053 1.875 -1.847) 6.601 10.471 ( 9.650 7.852 10.636) 16.367 11.689 ( 10.311 6.887 1.573) 12.499 12.266 ( 16.683 0.941 -0.763) 16.726 13.072 ( 13.248 0.780 -3.837) 13.815 13.981 ( -4.261 5.371 -0.574) 6.880 15.710 ( -5.430 -0.669 4.514) 7.093 16.906 ( 7.138 -3.596 -7.375) 10.875 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -25.256 -9.143 2.711) 26.997 2.213 ( -21.051 -0.575 2.627) 21.222 3.417 ( -15.959 -9.130 -1.907) 18.484 3.703 ( -28.507 1.311 -4.829) 28.943 4.602 ( -21.503 -10.409 -1.882) 23.964 5.437 ( 3.167 0.081 5.127) 6.027 6.487 ( 17.040 5.669 0.828) 17.977 6.631 ( 9.960 6.158 -3.254) 12.153 7.260 ( 13.913 -11.492 15.284) 23.648 8.888 ( -2.133 -0.225 -4.328) 4.830 9.270 ( -5.166 6.956 -3.671) 9.411 10.646 ( 1.757 2.732 2.024) 3.827 11.957 ( 12.024 5.077 1.970) 13.200 12.614 ( 20.218 2.929 1.080) 20.457 13.341 ( 16.491 1.639 -2.574) 16.771 13.967 ( -1.911 3.164 -0.886) 3.801 15.584 ( -10.131 -1.232 6.491) 12.095 16.973 ( 6.063 -1.001 -8.516) 10.501 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -26.333 -11.228 6.910) 29.449 1.811 ( -26.186 -0.847 4.236) 26.540 2.758 ( -41.780 -7.652 0.117) 42.475 3.401 ( -12.366 3.254 -2.120) 12.962 4.077 ( -25.216 -8.969 -0.735) 26.774 5.504 ( 3.121 -0.089 0.164) 3.126 6.600 ( 3.030 -2.528 0.984) 4.067 6.894 ( 4.766 5.449 -6.533) 9.752 7.674 ( 34.424 -6.963 17.966) 39.450 8.830 ( 0.364 -1.934 -3.026) 3.610 9.264 ( -4.249 10.209 -3.584) 11.624 10.623 ( -5.266 0.177 -1.672) 5.528 12.208 ( 11.241 1.910 1.798) 11.543 13.024 ( 22.049 2.928 -0.018) 22.243 13.637 ( 16.135 0.624 -3.426) 16.506 13.973 ( 0.129 1.802 -1.020) 2.074 15.373 ( -14.197 -3.137 7.522) 16.370 17.034 ( 3.338 2.546 -8.507) 9.486 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -0.000 23.546 13.866) 27.325 1.599 ( -0.000 22.578 15.026) 27.121 2.264 ( 0.000 40.854 14.809) 43.455 3.180 ( 0.000 6.776 -4.383) 8.070 3.737 ( 0.000 26.031 -2.280) 26.130 5.480 ( 0.000 0.954 -6.395) 6.465 6.662 ( -0.000 0.182 1.441) 1.452 6.759 ( 0.000 1.037 -8.683) 8.744 8.605 ( 0.000 -18.533 -10.862) 21.482 8.947 ( 0.000 3.775 -3.143) 4.912 9.031 ( -0.000 -30.199 33.308) 44.960 10.480 ( 0.000 6.806 -1.944) 7.078 12.400 ( -0.000 -10.216 2.154) 10.440 13.226 ( 0.000 -13.693 -7.485) 15.605 13.755 ( 0.000 -12.973 -6.836) 14.664 13.944 ( 0.000 -1.513 -1.133) 1.890 15.369 ( 0.000 22.923 10.456) 25.195 16.773 ( 0.000 -1.614 -15.121) 15.207 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.952 21.099 13.785) 25.221 1.932 ( 5.347 23.669 7.786) 25.484 2.889 ( 18.079 30.298 9.229) 36.469 3.328 ( 9.389 9.375 -4.640) 14.055 4.037 ( 5.278 25.046 -1.460) 25.638 5.465 ( -1.863 3.141 -4.463) 5.767 6.618 ( -4.356 -1.754 0.642) 4.740 6.741 ( 1.816 -2.833 -6.638) 7.442 7.897 ( -37.505 -14.967 2.631) 40.467 8.900 ( 4.094 -8.405 6.908) 11.625 9.253 ( 15.429 -8.906 4.290) 18.324 10.554 ( 1.463 3.130 -4.416) 5.607 12.240 ( -5.488 -10.779 0.989) 12.136 13.007 ( -6.554 -15.050 -1.869) 16.521 13.491 ( -8.463 -14.378 -8.289) 18.630 13.950 ( 1.995 -0.869 -0.985) 2.389 15.610 ( -0.929 17.286 13.086) 21.700 16.794 ( 9.362 -4.874 -12.713) 16.524 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 10.209 20.267 8.294) 24.161 2.290 ( 6.093 21.753 5.808) 23.325 3.365 ( 9.597 10.270 0.211) 14.058 3.729 ( 21.115 17.458 -4.895) 27.832 4.419 ( 11.041 21.242 2.723) 24.094 5.449 ( -3.655 5.265 -1.730) 6.639 6.488 ( -6.408 -4.685 0.786) 7.977 6.710 ( 2.971 -8.648 -4.047) 10.000 7.217 ( -28.410 -4.618 8.220) 29.933 8.934 ( 5.217 -6.258 3.698) 8.947 9.380 ( 6.956 -4.019 0.631) 8.058 10.485 ( -8.074 -2.367 -10.662) 13.582 12.019 ( -8.728 -8.460 0.727) 12.177 12.698 ( -10.304 -14.353 2.718) 17.876 13.183 ( -5.631 -13.964 -8.518) 17.299 13.987 ( 2.314 1.357 -0.834) 2.809 15.771 ( -3.123 12.720 11.034) 17.126 16.851 ( 8.807 -9.789 -7.218) 15.016 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 14.801 16.649 2.808) 22.453 2.628 ( 5.490 21.613 5.690) 23.014 3.559 ( 5.273 5.899 -2.742) 8.375 4.209 ( 18.343 10.852 -12.531) 24.723 4.858 ( 13.593 16.640 9.596) 23.532 5.424 ( -5.008 5.440 0.007) 7.394 6.351 ( -4.192 -3.030 6.062) 7.969 6.612 ( -1.075 -14.261 4.416) 14.968 6.901 ( -9.164 0.900 5.288) 10.618 8.958 ( 1.338 -2.376 0.290) 2.743 9.456 ( 5.249 -1.782 0.078) 5.544 10.144 ( -18.567 -6.774 -17.554) 26.434 11.766 ( -11.462 -6.291 0.642) 13.091 12.413 ( -9.679 -9.672 4.107) 14.286 12.965 ( -0.720 -12.748 -5.684) 13.976 14.054 ( 1.989 4.964 -0.711) 5.394 15.835 ( -5.225 8.079 7.444) 12.165 16.847 ( 6.345 -13.651 -2.737) 15.300 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( 6.073 13.530 4.552) 15.513 3.016 ( 12.228 19.665 -1.261) 23.191 3.678 ( 3.901 4.938 -2.845) 6.906 4.484 ( 7.883 7.589 -16.659) 19.931 5.238 ( 6.449 9.731 11.840) 16.628 5.425 ( 2.372 4.301 4.083) 6.387 6.331 ( 0.246 -3.405 7.851) 8.562 6.475 ( -2.128 -8.833 11.079) 14.328 6.852 ( 2.736 -4.938 1.631) 5.876 8.928 ( -3.722 1.153 -2.183) 4.466 9.490 ( -2.176 -4.634 -11.027) 12.157 9.687 ( -13.389 -2.871 -7.188) 15.465 11.525 ( -9.565 -3.371 -0.047) 10.142 12.166 ( -10.871 -6.935 3.579) 13.382 12.855 ( 2.433 -9.697 -3.162) 10.485 14.151 ( 0.674 9.704 -0.569) 9.744 15.811 ( -5.687 2.741 3.998) 7.472 16.789 ( 5.036 -15.720 -0.212) 16.508 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.086 ( -0.256 13.162 3.436) 13.606 3.365 ( 11.323 8.587 -5.976) 15.416 3.817 ( 5.249 10.129 -1.271) 11.478 4.516 ( -6.950 9.382 -15.996) 19.804 5.372 ( 2.812 2.583 7.518) 8.432 5.618 ( 7.159 1.051 11.170) 13.309 6.271 ( 0.841 -11.900 5.032) 12.948 6.428 ( -4.157 -1.292 2.174) 4.865 6.888 ( 8.033 -8.977 4.046) 12.707 8.835 ( -6.407 1.457 -2.726) 7.114 9.209 ( -9.238 0.761 -13.962) 16.759 9.674 ( 2.341 0.713 6.294) 6.753 11.382 ( -5.279 1.926 -0.901) 5.691 11.916 ( -10.000 -7.687 2.959) 12.955 12.809 ( 2.392 -6.560 -3.105) 7.642 14.261 ( -2.485 14.654 -0.298) 14.866 15.736 ( -3.378 -2.656 1.442) 4.533 16.714 ( 5.034 -16.117 0.560) 16.894 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( -5.667 9.350 -0.437) 10.942 3.551 ( 7.522 0.622 -3.684) 8.399 4.036 ( 3.804 12.883 -4.570) 14.189 4.376 ( -13.651 14.015 -10.946) 22.418 5.458 ( 2.147 -0.668 4.141) 4.712 5.678 ( -2.748 -5.084 7.209) 9.240 6.195 ( 1.849 -10.182 2.199) 10.579 6.275 ( -4.507 -7.119 -9.031) 12.351 6.956 ( 8.147 -10.435 5.237) 14.237 8.807 ( 0.197 5.120 4.602) 6.888 9.150 ( -0.222 8.095 -3.632) 8.875 9.742 ( 1.589 0.835 7.780) 7.984 11.375 ( -1.863 9.329 -1.010) 9.567 11.697 ( -5.066 -10.132 2.150) 11.530 12.772 ( 1.634 -5.115 -4.725) 7.152 14.341 ( -7.422 17.519 0.043) 19.026 15.672 ( 1.214 -5.821 0.079) 5.947 16.650 ( 5.884 -15.437 0.062) 16.520 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -8.413 4.976 -2.346) 10.052 3.619 ( -1.298 1.745 -2.111) 3.031 3.984 ( -13.243 4.047 -7.100) 15.561 4.431 ( 0.897 19.613 -7.400) 20.982 5.399 ( -8.499 -1.145 -4.486) 9.678 5.541 ( -4.285 -4.969 0.328) 6.570 6.093 ( -1.603 -8.515 -6.636) 10.914 6.180 ( 5.542 -12.725 4.545) 14.604 6.988 ( 6.470 -11.809 4.750) 14.278 8.918 ( -0.009 9.761 4.761) 10.860 9.316 ( 7.800 7.915 2.982) 11.506 9.820 ( 2.925 2.541 11.508) 12.143 11.468 ( -5.465 15.888 1.653) 16.882 11.586 ( 8.080 -11.922 -0.851) 14.427 12.733 ( 2.416 -5.096 -6.493) 8.600 14.344 ( -11.451 15.705 0.170) 19.437 15.674 ( 4.767 -4.273 0.165) 6.405 16.613 ( 7.244 -14.093 -1.287) 15.898 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -10.208 2.677 -1.671) 10.685 3.438 ( -20.951 3.612 -4.719) 21.777 3.826 ( -4.613 0.046 -0.858) 4.692 4.585 ( -1.603 14.776 -10.738) 18.336 5.254 ( -4.664 2.959 -2.722) 6.158 5.412 ( -6.069 -2.824 -1.933) 6.967 5.948 ( -1.806 -10.273 -1.780) 10.582 6.195 ( 8.588 -11.685 3.032) 14.816 6.985 ( 5.450 -12.589 5.131) 14.646 9.018 ( -2.374 11.636 2.153) 12.069 9.464 ( 1.005 1.389 0.410) 1.763 10.048 ( 11.933 7.139 14.593) 20.158 11.487 ( 1.313 0.702 2.176) 2.637 11.754 ( 10.400 6.171 -1.100) 12.143 12.726 ( 6.087 -5.059 -6.922) 10.515 14.269 ( -11.837 10.581 -0.013) 15.877 15.737 ( 3.842 -0.083 1.696) 4.200 16.614 ( 8.953 -11.757 -3.157) 15.111 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -12.411 1.601 0.020) 12.513 3.009 ( -27.375 0.774 -2.663) 27.515 3.741 ( -5.643 -0.954 -0.184) 5.726 4.544 ( -13.352 8.352 -10.141) 18.731 5.154 ( -10.433 -2.674 -1.225) 10.839 5.365 ( 1.301 1.154 6.449) 6.680 5.900 ( 7.545 0.977 -3.179) 8.246 6.266 ( 11.133 -9.878 0.894) 14.910 6.968 ( 5.281 -12.773 5.900) 15.028 9.072 ( -5.236 9.742 0.652) 11.079 9.427 ( -3.499 -0.383 -1.304) 3.754 10.387 ( 12.416 5.246 7.566) 15.457 11.587 ( 8.552 0.549 1.857) 8.768 12.012 ( 11.729 5.961 0.398) 13.163 12.820 ( 11.985 -2.928 -5.377) 13.458 14.160 ( -9.386 5.688 -0.299) 10.979 15.788 ( -0.918 1.676 3.780) 4.236 16.673 ( 10.407 -7.230 -4.693) 13.513 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -28.120 -2.424 -0.389) 28.227 2.547 ( -16.994 1.210 2.161) 17.173 3.589 ( -10.217 -1.743 -0.502) 10.377 4.220 ( -26.592 4.903 -4.538) 27.418 4.858 ( -17.324 -4.893 -3.370) 18.314 5.403 ( 1.622 -2.510 7.609) 8.175 6.255 ( 19.278 11.152 1.185) 22.303 6.403 ( 15.709 -3.801 -2.528) 16.359 6.960 ( 6.555 -13.273 6.746) 16.268 9.010 ( -8.682 2.835 -1.146) 9.204 9.379 ( -2.505 3.203 -1.772) 4.436 10.599 ( 6.900 0.510 -0.789) 6.964 11.791 ( 11.832 1.408 1.367) 11.993 12.300 ( 16.550 1.823 1.933) 16.762 13.044 ( 16.214 0.154 -3.747) 16.642 14.063 ( -5.908 2.353 -0.528) 6.381 15.747 ( -6.440 -0.342 4.963) 8.138 16.798 ( 9.929 -0.791 -4.492) 10.927 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -29.283 -1.150 3.368) 29.499 2.220 ( -21.379 -2.016 1.050) 21.499 3.324 ( -21.222 2.050 2.270) 21.442 3.762 ( -26.631 3.527 0.041) 26.864 4.453 ( -23.184 -0.825 -2.856) 23.374 5.439 ( 3.101 -2.055 1.316) 3.946 6.482 ( 8.199 -1.576 0.004) 8.349 6.836 ( 12.136 12.410 -7.639) 18.965 7.028 ( 22.646 -18.657 9.150) 30.736 8.889 ( -4.791 2.315 0.793) 5.380 9.374 ( -1.969 3.110 0.100) 3.682 10.650 ( 1.415 -1.805 -4.309) 4.882 12.008 ( 11.973 -1.466 0.286) 12.066 12.648 ( 21.068 -0.381 1.498) 21.124 13.333 ( 16.781 0.690 -4.334) 17.345 14.002 ( -2.416 0.486 -0.468) 2.508 15.591 ( -11.108 -3.188 4.972) 12.580 16.960 ( 7.193 4.781 -2.726) 9.057 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -0.000 18.706 10.577) 21.489 2.083 ( -0.000 16.635 9.288) 19.052 3.113 ( 0.000 34.619 3.391) 34.785 3.313 ( 0.000 8.981 -4.070) 9.860 4.239 ( 0.000 23.838 -1.832) 23.908 5.525 ( 0.000 7.452 -1.811) 7.669 6.639 ( -0.000 -10.169 -2.765) 10.538 6.651 ( -0.000 -1.834 -0.240) 1.849 8.054 ( -0.000 -27.004 -1.119) 27.027 8.820 ( -0.000 -8.545 10.628) 13.637 9.057 ( 0.000 8.066 0.376) 8.075 10.559 ( 0.000 2.915 -4.163) 5.082 12.147 ( -0.000 -15.070 -0.278) 15.073 12.914 ( -0.000 -14.218 0.276) 14.221 13.382 ( 0.000 -17.548 -9.230) 19.828 13.917 ( -0.000 -0.711 0.041) 0.713 15.826 ( -0.000 11.734 17.277) 20.885 16.632 ( 0.000 -0.341 -15.896) 15.899 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 2.207 17.380 7.428) 19.029 2.376 ( 8.431 15.105 7.400) 18.815 3.384 ( 2.044 13.676 -2.226) 14.006 3.578 ( 13.367 18.867 -6.017) 23.892 4.511 ( 4.936 21.801 1.692) 22.416 5.594 ( -3.086 11.124 1.019) 11.589 6.506 ( 1.088 -16.882 1.516) 16.985 6.577 ( -4.398 -4.662 -0.482) 6.427 7.605 ( -19.548 -14.610 3.546) 24.661 8.816 ( 3.389 -1.771 1.789) 4.221 9.228 ( 6.757 3.783 0.955) 7.803 10.538 ( -3.428 -0.707 -7.297) 8.093 11.982 ( -0.547 -14.298 -0.540) 14.318 12.717 ( -6.577 -14.278 4.458) 16.340 13.102 ( -5.845 -16.790 -10.200) 20.496 13.945 ( 3.096 0.742 -0.220) 3.192 15.970 ( -0.821 6.718 15.603) 17.007 16.623 ( 3.965 -1.761 -12.227) 12.974 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 8.935 15.813 3.221) 18.446 2.720 ( 10.039 16.067 7.180) 20.260 3.530 ( 3.307 7.477 -4.148) 9.168 3.964 ( 16.238 11.141 -11.774) 22.943 4.863 ( 9.246 18.838 6.623) 22.005 5.632 ( -7.174 11.928 2.034) 14.067 6.353 ( 3.046 -22.330 5.300) 23.152 6.445 ( -3.834 -4.910 4.894) 7.922 7.209 ( -17.504 -2.387 7.204) 19.079 8.896 ( 4.926 2.386 -3.842) 6.687 9.337 ( 3.717 0.450 -1.136) 3.913 10.315 ( -14.195 -5.565 -14.366) 20.949 11.834 ( -3.585 -10.006 1.175) 10.693 12.474 ( -6.461 -11.211 7.185) 14.801 12.823 ( -3.125 -14.951 -8.622) 17.540 14.035 ( 4.607 3.985 -0.899) 6.157 16.038 ( -3.507 4.223 11.677) 12.903 16.606 ( 3.092 -7.793 -7.127) 11.004 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 10.766 11.293 1.706) 15.696 3.101 ( 8.801 20.254 4.404) 22.519 3.622 ( 4.111 2.664 -5.498) 7.364 4.295 ( 15.343 7.831 -12.706) 21.405 5.227 ( 9.925 12.402 8.729) 18.125 5.593 ( -10.110 9.740 2.226) 14.214 6.207 ( 4.742 -24.132 8.305) 25.958 6.428 ( 1.615 -0.917 12.359) 12.498 6.967 ( -12.947 0.742 6.643) 14.571 8.983 ( 1.376 6.228 -6.777) 9.306 9.369 ( 2.741 -4.496 -5.317) 7.483 9.884 ( -18.143 -6.279 -16.378) 25.236 11.643 ( -8.305 -6.404 2.937) 10.891 12.317 ( -8.119 -3.589 5.534) 10.460 12.652 ( 4.280 -14.202 -4.626) 15.538 14.181 ( 5.331 8.228 -1.267) 9.886 16.006 ( -8.091 2.764 7.563) 11.415 16.528 ( 3.491 -14.529 -3.246) 15.291 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 9.824 7.944 2.892) 12.960 3.372 ( -0.388 13.793 -4.806) 14.611 3.773 ( 10.628 8.228 -1.565) 13.532 4.558 ( 8.476 10.023 -12.580) 18.181 5.467 ( -1.434 5.257 8.571) 10.156 5.544 ( 0.672 3.375 5.195) 6.232 6.100 ( 5.252 -19.922 9.010) 22.487 6.511 ( 0.189 0.548 10.563) 10.578 6.795 ( -7.070 -3.393 5.417) 9.531 8.985 ( -7.477 6.190 -6.428) 11.643 9.248 ( -2.660 -4.921 -17.598) 18.466 9.628 ( -0.823 -2.553 -1.866) 3.268 11.481 ( -6.043 -1.956 4.406) 7.730 12.106 ( -13.192 -2.096 2.001) 13.507 12.638 ( 7.012 -9.151 -1.854) 11.676 14.378 ( 4.943 13.197 -1.224) 14.145 15.867 ( -11.184 -0.012 3.803) 11.813 16.429 ( 5.655 -18.957 -0.739) 19.796 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( -1.528 7.142 2.344) 7.671 3.416 ( 5.619 2.515 -6.717) 9.111 4.084 ( 7.903 16.435 -2.440) 18.399 4.676 ( -4.991 15.175 -11.860) 19.896 5.444 ( -1.788 -0.881 7.268) 7.536 5.631 ( 3.449 -6.137 7.396) 10.211 6.048 ( 4.431 -13.465 7.443) 16.010 6.381 ( -14.513 -1.628 -5.672) 15.667 6.748 ( 4.835 -9.118 8.803) 13.565 8.886 ( -3.011 4.521 0.098) 5.433 9.208 ( 0.777 7.154 -11.795) 13.817 9.651 ( 5.813 -5.126 0.835) 7.795 11.426 ( -1.661 -0.010 5.708) 5.945 11.868 ( -12.744 1.645 0.816) 12.875 12.650 ( 3.753 -6.455 -3.279) 8.155 14.595 ( 0.888 18.341 -0.693) 18.376 15.669 ( -8.405 -4.473 1.150) 9.590 16.345 ( 7.640 -20.155 0.153) 21.555 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( -7.117 2.432 -3.399) 8.253 3.581 ( 7.202 3.286 0.207) 7.919 4.249 ( -8.019 12.699 -7.194) 16.653 4.675 ( -7.172 19.613 -7.492) 22.186 5.446 ( 0.685 -3.338 4.463) 5.615 5.569 ( -3.851 -7.345 1.767) 8.480 6.005 ( 0.755 -9.526 -4.755) 10.673 6.078 ( -8.433 -7.261 2.881) 11.495 6.770 ( 6.084 -11.466 6.552) 14.540 8.998 ( 3.927 9.183 5.621) 11.461 9.304 ( 3.912 9.103 -4.674) 10.955 9.716 ( 8.123 -6.014 1.082) 10.165 11.406 ( 0.344 -8.081 4.759) 9.385 11.769 ( -7.249 15.292 2.269) 17.074 12.610 ( 1.560 -7.247 -5.797) 9.410 14.719 ( -9.839 18.680 0.072) 21.113 15.553 ( 2.149 -4.725 -0.141) 5.193 16.293 ( 9.278 -19.247 -0.172) 21.367 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -8.182 1.247 -2.023) 8.520 3.702 ( 1.061 4.625 0.747) 4.803 4.019 ( -21.237 4.327 -6.704) 22.687 4.777 ( -3.662 19.376 -8.749) 21.573 5.366 ( -5.903 -0.553 0.090) 5.929 5.462 ( -2.731 -2.305 -0.890) 3.683 5.838 ( -1.310 -10.039 -6.403) 11.978 6.014 ( 2.614 -9.354 11.429) 14.999 6.778 ( 5.880 -11.345 5.152) 13.778 9.161 ( 0.573 11.392 1.109) 11.460 9.440 ( 3.277 1.765 -0.388) 3.743 9.875 ( 14.536 -1.175 2.983) 14.886 11.342 ( 3.412 -10.071 2.317) 10.883 11.901 ( -2.721 20.939 4.996) 21.698 12.539 ( 3.740 -9.389 -7.355) 12.499 14.621 ( -16.101 9.924 -0.025) 18.914 15.650 ( 7.706 2.916 0.810) 8.279 16.287 ( 11.139 -16.045 -1.253) 19.573 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -9.739 0.959 -0.083) 9.787 3.537 ( -28.521 5.452 -1.707) 29.088 3.786 ( -1.159 -1.823 -1.834) 2.834 4.810 ( -8.616 13.839 -10.776) 19.542 5.290 ( -6.725 -3.839 5.007) 9.221 5.396 ( -1.381 1.732 2.160) 3.094 5.764 ( 4.966 -2.054 -4.303) 6.884 6.036 ( 5.615 -7.414 8.594) 12.663 6.788 ( 5.025 -8.706 4.055) 10.839 9.249 ( -3.401 9.135 -0.606) 9.766 9.438 ( -0.367 -3.267 -1.589) 3.652 10.166 ( 16.476 -0.637 -1.184) 16.531 11.383 ( 9.668 -5.250 2.124) 11.205 12.052 ( -2.152 11.731 4.260) 12.664 12.560 ( 10.816 -4.475 -5.128) 12.780 14.414 ( -14.096 3.491 -0.414) 14.528 15.801 ( 3.388 3.062 2.593) 5.251 16.373 ( 13.502 -7.330 -2.097) 15.506 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -12.722 0.636 0.855) 12.766 3.032 ( -30.191 0.347 0.105) 30.193 3.720 ( -5.614 0.147 -1.067) 5.716 4.659 ( -17.604 6.996 -5.877) 19.834 5.079 ( -12.384 -2.079 -1.645) 12.664 5.390 ( -0.790 -4.192 8.179) 9.225 6.025 ( 18.422 9.385 1.979) 20.769 6.123 ( 8.856 -4.234 4.684) 10.876 6.810 ( 3.698 -4.084 2.290) 5.967 9.172 ( -8.287 -1.507 -3.075) 8.967 9.423 ( -0.517 2.295 -0.109) 2.355 10.380 ( 13.230 -5.512 -8.948) 16.896 11.569 ( 12.891 -1.083 1.354) 13.007 12.132 ( 5.700 -0.405 3.644) 6.777 12.775 ( 14.058 3.114 -1.969) 14.533 14.215 ( -10.072 0.137 -0.566) 10.088 15.824 ( -1.965 -2.295 2.779) 4.105 16.591 ( 13.278 3.100 -0.747) 13.656 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -29.039 2.923 1.039) 29.205 2.542 ( -17.653 -2.409 1.468) 17.877 3.591 ( -9.244 1.785 -0.466) 9.426 4.310 ( -26.544 3.936 2.795) 26.979 4.822 ( -17.097 4.778 -5.086) 18.466 5.374 ( 1.512 -3.830 3.500) 5.404 6.258 ( 12.809 -5.898 2.093) 14.256 6.497 ( 19.487 3.206 5.699) 20.555 6.864 ( 2.892 4.585 -1.798) 5.711 8.991 ( -6.018 -2.443 -2.246) 6.873 9.424 ( -1.995 0.409 2.237) 3.025 10.473 ( 10.090 -7.963 -12.011) 17.592 11.768 ( 11.738 -3.738 -0.716) 12.339 12.323 ( 15.505 -1.587 3.540) 15.983 13.058 ( 14.546 3.007 -2.344) 15.037 14.065 ( -5.680 -1.784 -0.301) 5.961 15.723 ( -6.489 -4.056 2.539) 8.062 16.861 ( 10.487 7.255 1.303) 12.819 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( -0.000 13.861 7.389) 15.707 2.414 ( 0.000 11.376 4.868) 12.374 3.473 ( 0.000 8.978 -3.204) 9.533 3.636 ( 0.000 17.857 -9.524) 20.238 4.699 ( 0.000 22.099 3.667) 22.401 5.764 ( 0.000 13.674 4.010) 14.250 6.277 ( -0.000 -25.293 5.059) 25.794 6.588 ( -0.000 -3.422 -1.601) 3.778 7.581 ( -0.000 -17.414 -3.952) 17.857 8.809 ( -0.000 2.889 2.143) 3.597 9.269 ( 0.000 10.795 4.008) 11.515 10.540 ( 0.000 -1.172 -5.739) 5.858 11.802 ( -0.000 -17.203 -2.758) 17.422 12.656 ( -0.000 -13.909 6.669) 15.425 12.942 ( 0.000 -17.325 -11.936) 21.038 13.914 ( -0.000 -0.092 0.895) 0.900 16.035 ( -0.000 -1.960 11.457) 11.624 16.599 ( 0.000 6.452 -7.889) 10.192 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 3.741 13.020 3.081) 13.893 2.669 ( 10.735 9.368 6.395) 15.617 3.564 ( 0.972 7.984 -4.004) 8.984 3.803 ( 8.449 8.658 -12.152) 17.147 4.974 ( 3.726 20.920 5.954) 22.068 5.864 ( -2.278 3.242 8.861) 9.706 6.061 ( 0.402 -19.330 4.170) 19.779 6.506 ( -3.842 -2.698 0.515) 4.723 7.370 ( -5.411 -9.548 -1.845) 11.129 8.866 ( 0.993 6.438 -1.626) 6.714 9.376 ( -1.847 8.369 2.611) 8.960 10.423 ( -8.663 -4.462 -9.908) 13.896 11.679 ( 5.680 -14.066 -1.685) 15.262 12.475 ( -5.753 -15.115 8.324) 18.189 12.709 ( -3.079 -12.997 -10.333) 16.887 13.971 ( 5.425 1.666 0.317) 5.684 16.048 ( 2.473 -5.952 6.427) 9.102 16.613 ( -4.469 5.440 -2.398) 7.437 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 7.308 10.649 1.517) 13.005 3.042 ( 17.320 10.994 5.836) 21.329 3.604 ( -1.039 3.841 -7.262) 8.281 4.049 ( 15.339 5.739 -9.120) 18.746 5.263 ( 4.785 15.461 6.039) 17.275 5.803 ( 5.855 -24.761 14.020) 29.050 5.939 ( -9.213 5.808 0.081) 10.891 6.467 ( -0.568 1.107 7.017) 7.127 7.188 ( -8.373 -3.202 1.868) 9.157 8.960 ( 3.120 6.763 -5.084) 9.017 9.381 ( -5.093 4.190 -1.503) 6.764 10.071 ( -17.433 -7.478 -15.612) 24.567 11.654 ( 1.754 -7.801 0.814) 8.037 12.314 ( 2.766 -11.972 8.354) 14.858 12.495 ( -5.261 -9.999 -6.534) 13.052 14.131 ( 8.228 5.813 -0.632) 10.094 16.036 ( 2.670 -9.420 4.192) 10.651 16.518 ( -9.924 1.573 -0.229) 10.050 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( 9.000 7.257 1.304) 11.635 3.482 ( 7.834 13.768 1.656) 15.927 3.601 ( 9.037 0.861 -5.416) 10.571 4.371 ( 16.724 6.335 -6.902) 19.169 5.464 ( 3.553 4.216 5.620) 7.873 5.747 ( 9.781 -21.186 12.313) 26.384 5.817 ( -12.407 6.985 1.492) 14.317 6.533 ( 1.534 1.919 9.981) 10.279 7.006 ( -11.780 -0.827 4.106) 12.503 9.068 ( 4.609 5.143 -7.625) 10.288 9.240 ( -11.896 -0.580 -9.590) 15.291 9.680 ( -10.578 -4.437 -10.119) 15.296 11.577 ( -4.229 -2.199 4.682) 6.681 12.265 ( -8.105 -8.016 -4.949) 12.427 12.381 ( 10.448 -7.154 5.614) 13.851 14.368 ( 9.319 10.915 -1.175) 14.400 15.977 ( 1.047 -11.377 3.301) 11.892 16.305 ( -12.331 -3.853 -0.081) 12.920 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 9.666 4.577 0.813) 10.726 3.469 ( -4.997 2.045 -5.015) 7.369 4.017 ( 17.494 13.186 0.772) 21.920 4.691 ( 12.733 8.982 -6.759) 16.985 5.520 ( 1.866 -5.148 5.710) 7.912 5.647 ( -12.687 3.045 3.831) 13.598 5.793 ( 9.469 -13.948 7.914) 18.624 6.570 ( -3.665 0.165 3.064) 4.780 6.774 ( -13.408 -2.844 5.709) 14.848 8.986 ( -6.096 -1.124 -8.559) 10.568 9.181 ( 3.211 7.274 -6.854) 10.498 9.542 ( -0.405 -3.385 -4.388) 5.557 11.523 ( -4.757 1.345 8.856) 10.142 12.035 ( -7.092 -4.653 -5.787) 10.269 12.499 ( 6.592 -4.172 2.248) 8.119 14.668 ( 9.366 16.089 -1.230) 18.657 15.849 ( -8.143 -5.957 2.634) 10.427 16.047 ( -3.358 -15.501 -0.542) 15.870 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -5.563 1.264 -3.767) 6.837 3.464 ( 8.925 2.615 0.897) 9.343 4.388 ( 7.523 13.422 -1.703) 15.480 4.916 ( 1.307 14.196 -8.143) 16.417 5.439 ( -6.012 -3.367 5.437) 8.777 5.533 ( -0.803 -5.989 4.441) 7.499 5.820 ( 6.507 -12.924 2.948) 14.767 6.324 ( -19.763 -0.130 -3.687) 20.104 6.638 ( -0.413 -7.161 6.894) 9.949 9.007 ( 5.784 6.054 1.252) 8.466 9.290 ( 4.130 4.831 -3.857) 7.435 9.520 ( 4.165 -4.043 -5.084) 7.716 11.441 ( -7.570 -3.909 8.037) 11.712 11.957 ( 0.125 6.663 -3.003) 7.309 12.518 ( 0.141 -4.689 -1.127) 4.825 14.989 ( 4.158 20.727 -0.642) 21.149 15.589 ( -12.985 -3.589 0.397) 13.478 15.915 ( 8.830 -21.904 0.360) 23.620 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -6.920 1.401 -0.759) 7.101 3.631 ( 7.592 0.973 -0.888) 7.705 4.431 ( -15.547 8.063 -4.106) 17.988 5.005 ( -3.206 16.953 -6.737) 18.522 5.383 ( 0.447 -7.796 6.787) 10.346 5.459 ( -1.300 -3.295 0.175) 3.547 5.765 ( -0.178 -6.742 -9.858) 11.944 6.042 ( -9.882 -1.845 12.278) 15.869 6.609 ( 3.455 -7.299 3.650) 8.861 9.220 ( 6.336 9.462 0.555) 11.401 9.364 ( 4.014 -4.539 -1.971) 6.371 9.612 ( 10.926 0.812 -2.803) 11.309 11.283 ( -4.738 -6.136 3.957) 8.704 12.117 ( 4.611 13.955 1.922) 14.822 12.403 ( -4.234 -8.460 -3.410) 10.056 15.025 ( -18.642 8.591 -0.109) 20.526 15.555 ( 8.332 7.019 0.006) 10.894 15.898 ( 12.794 -18.093 0.071) 22.160 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.151 ( -8.274 1.511 1.547) 8.552 3.731 ( 4.081 -1.496 -3.033) 5.300 4.074 ( -26.838 3.499 -1.572) 27.110 5.058 ( -7.937 12.789 -8.857) 17.464 5.295 ( 0.332 -11.666 9.559) 15.086 5.440 ( -1.143 0.478 -1.021) 1.605 5.700 ( 1.420 4.329 -7.890) 9.111 5.995 ( -1.687 -1.657 17.126) 17.289 6.642 ( 5.459 -3.381 1.282) 6.547 9.327 ( 0.762 -7.794 -3.501) 8.578 9.387 ( 2.741 7.528 -1.192) 8.100 9.841 ( 14.672 -2.267 -5.338) 15.777 11.238 ( 3.485 -1.321 3.033) 4.805 12.198 ( -5.485 -11.010 -2.030) 12.467 12.374 ( 7.723 12.223 2.331) 14.645 14.717 ( -18.289 -0.004 -0.555) 18.297 15.744 ( 5.794 -1.163 1.196) 6.030 16.063 ( 16.300 1.514 -0.142) 16.370 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( -10.372 0.833 2.758) 10.765 3.525 ( -24.626 -3.918 -2.952) 25.109 3.802 ( -5.187 3.100 -0.161) 6.045 4.922 ( -10.095 -0.532 -4.379) 11.017 5.211 ( -4.749 -2.808 2.713) 6.148 5.408 ( -2.869 -1.047 2.572) 3.993 5.900 ( 10.954 12.987 2.842) 17.225 6.033 ( 1.128 -0.423 13.039) 13.095 6.734 ( 4.941 2.995 -0.892) 5.846 9.202 ( -2.939 -9.933 -5.091) 11.542 9.473 ( -0.415 5.119 1.616) 5.384 9.998 ( 14.388 -9.521 -15.506) 23.197 11.385 ( 9.063 3.313 1.757) 9.808 12.024 ( 1.716 -12.767 1.383) 12.956 12.640 ( 8.477 9.947 2.206) 13.254 14.411 ( -14.027 -3.327 -0.617) 14.429 15.783 ( 2.995 -5.238 0.835) 6.091 16.413 ( 14.352 10.431 1.506) 17.806 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -14.131 -2.128 2.608) 14.527 3.036 ( -27.063 2.375 -0.231) 27.168 3.725 ( -5.771 0.404 -1.566) 5.993 4.697 ( -13.284 -1.498 0.852) 13.396 5.092 ( -9.785 4.443 -2.278) 10.986 5.350 ( -2.098 -2.552 3.229) 4.620 6.085 ( 2.721 -1.630 13.146) 13.523 6.301 ( 14.560 9.795 4.452) 18.105 6.870 ( 4.017 9.684 -2.999) 10.905 9.012 ( -4.165 -8.929 -4.503) 10.832 9.484 ( -2.836 0.646 3.744) 4.741 10.072 ( 15.240 -13.317 -20.153) 28.561 11.547 ( 8.166 -2.746 -1.756) 8.792 12.072 ( 12.200 -4.387 4.707) 13.793 12.884 ( 9.656 5.582 0.683) 11.175 14.160 ( -9.126 -5.302 -0.277) 10.558 15.757 ( -1.264 -3.402 0.791) 3.714 16.758 ( 11.708 9.882 2.997) 15.611 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 0.000 7.512 2.444) 7.900 2.687 ( -0.000 9.641 5.717) 11.208 3.620 ( 0.000 7.185 -2.463) 7.595 3.749 ( 0.000 3.779 -13.249) 13.777 5.179 ( 0.000 20.364 5.725) 21.154 5.660 ( -0.000 -33.903 15.541) 37.295 6.159 ( 0.000 15.412 0.319) 15.415 6.505 ( -0.000 -3.348 -1.546) 3.688 7.277 ( 0.000 -9.463 -5.994) 11.201 8.948 ( 0.000 9.765 -1.727) 9.916 9.521 ( -0.000 9.990 5.213) 11.269 10.441 ( 0.000 -3.847 -7.066) 8.046 11.438 ( -0.000 -15.631 -3.779) 16.082 12.389 ( -0.000 -17.436 3.584) 17.801 12.594 ( 0.000 -8.707 -5.523) 10.310 13.922 ( -0.000 0.143 0.981) 0.991 15.974 ( -0.000 -6.104 1.568) 6.302 16.728 ( 0.000 6.202 2.084) 6.543 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 6.013 8.814 0.369) 10.676 2.862 ( 10.723 5.501 6.667) 13.773 3.650 ( -2.009 3.574 -6.239) 7.466 3.832 ( 10.530 3.193 -7.230) 13.166 5.373 ( 2.089 -5.258 7.107) 9.084 5.441 ( 4.442 -11.736 13.135) 18.165 6.227 ( -8.554 11.654 -0.533) 14.466 6.490 ( 1.442 0.618 2.315) 2.796 7.186 ( 0.464 -6.048 -4.598) 7.611 9.031 ( -1.363 10.320 -2.501) 10.706 9.563 ( -6.985 7.342 2.859) 10.529 10.233 ( -14.065 -6.337 -11.231) 19.082 11.413 ( 12.426 -10.299 -1.960) 16.258 12.187 ( -2.561 -15.311 1.123) 15.565 12.485 ( -3.074 -6.240 0.048) 6.956 14.011 ( 8.700 1.848 0.389) 8.903 15.919 ( 0.365 -7.170 0.208) 7.183 16.726 ( -7.330 3.994 3.053) 8.888 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 6.086 6.271 1.413) 8.852 3.244 ( 22.225 5.422 3.889) 23.205 3.608 ( -2.883 1.941 -5.503) 6.509 4.096 ( 16.854 3.547 -3.821) 17.642 5.276 ( 9.453 -26.130 12.728) 30.564 5.586 ( 1.657 8.608 4.452) 9.832 6.137 ( -11.898 8.019 -0.300) 14.351 6.559 ( 1.722 2.568 5.747) 6.526 7.115 ( -2.464 -3.258 -2.083) 4.585 9.087 ( -2.175 7.704 -2.194) 8.301 9.454 ( -11.737 4.386 -4.321) 13.254 9.826 ( -16.482 -6.241 -10.969) 20.758 11.546 ( 8.085 -2.864 -0.139) 8.579 12.064 ( 4.817 -13.026 -0.840) 13.914 12.368 ( -3.998 -3.826 3.987) 6.821 14.251 ( 13.561 5.925 -0.299) 14.802 15.831 ( -0.527 -10.126 0.073) 10.140 16.574 ( -14.172 1.696 2.510) 14.492 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( 7.856 3.532 0.910) 8.661 3.532 ( -1.720 0.399 -4.555) 4.885 3.755 ( 22.670 6.956 4.511) 24.139 4.444 ( 18.964 4.022 -2.423) 19.537 5.289 ( 12.594 -17.646 9.967) 23.861 5.668 ( -0.075 2.018 2.442) 3.169 5.968 ( -15.168 5.028 -0.045) 15.979 6.610 ( -0.280 0.224 3.508) 3.526 6.995 ( -9.108 -1.376 0.327) 9.217 9.030 ( -7.420 -1.082 -5.680) 9.407 9.297 ( -6.869 9.242 -5.848) 12.915 9.554 ( -6.543 -3.488 -3.705) 8.289 11.628 ( 0.454 3.399 5.470) 6.456 11.979 ( 0.007 -11.451 -8.231) 14.103 12.370 ( 5.334 -1.919 6.051) 8.291 14.590 ( 15.267 10.701 -0.668) 18.656 15.703 ( -0.012 -13.350 0.328) 13.354 16.291 ( -19.291 -0.302 1.418) 19.345 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 8.670 1.381 -0.593) 8.800 3.473 ( -4.196 1.403 -0.725) 4.484 4.226 ( 20.689 4.880 3.401) 21.527 4.804 ( 16.940 5.072 -2.031) 17.800 5.414 ( 11.798 -6.788 5.343) 14.623 5.631 ( -4.514 -3.868 -0.603) 5.975 5.712 ( -15.132 -0.650 1.649) 15.235 6.559 ( -5.656 -0.674 -4.339) 7.161 6.750 ( -15.585 -2.535 2.546) 15.993 8.948 ( 2.227 1.922 -1.443) 3.277 9.305 ( -2.383 4.143 1.672) 5.063 9.462 ( 0.030 0.672 -5.368) 5.410 11.597 ( -9.405 -2.846 5.293) 11.161 11.909 ( 5.083 0.843 -5.365) 7.439 12.463 ( 3.955 -2.192 1.859) 4.889 14.990 ( 15.648 14.463 -0.714) 21.321 15.581 ( 2.876 -15.048 0.633) 15.333 15.915 ( -22.008 -1.699 0.351) 22.076 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -4.851 1.907 0.416) 5.229 3.485 ( 7.832 -0.365 -0.633) 7.867 4.548 ( 8.817 1.037 2.399) 9.196 5.101 ( 9.702 7.381 -3.244) 12.615 5.378 ( -12.493 -6.011 3.232) 14.236 5.499 ( -5.524 -0.118 -2.655) 6.131 5.606 ( 8.230 -4.865 -0.307) 9.566 6.335 ( -16.438 3.307 -1.648) 16.848 6.555 ( -3.035 -4.547 2.719) 6.106 9.083 ( 8.492 -0.862 -1.353) 8.642 9.301 ( 1.308 0.820 1.532) 2.175 9.527 ( 3.767 5.055 -0.423) 6.318 11.373 ( -9.452 -4.911 0.053) 10.652 12.053 ( 6.707 2.441 -0.151) 7.139 12.458 ( -2.381 -0.230 0.104) 2.394 15.360 ( 2.306 1.462 -0.013) 2.730 15.522 ( 3.923 0.540 0.093) 3.962 15.559 ( -6.397 -2.066 -0.081) 6.723 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -7.012 1.528 3.143) 7.835 3.604 ( 6.831 -1.668 -3.325) 7.778 4.478 ( -15.441 -2.540 0.234) 15.650 5.164 ( -3.112 -18.001 6.777) 19.484 5.254 ( -0.313 11.504 -4.767) 12.457 5.429 ( 1.129 0.404 -1.453) 1.884 5.695 ( 2.678 6.226 -7.531) 10.132 6.177 ( -8.977 4.766 15.553) 18.580 6.542 ( 4.148 0.569 -2.879) 5.081 9.114 ( 5.475 -10.884 -6.940) 14.022 9.420 ( 3.877 6.853 1.795) 8.076 9.644 ( 5.380 -0.187 -0.405) 5.399 11.240 ( -2.081 1.204 0.182) 2.411 12.055 ( -0.693 -13.801 -2.983) 14.137 12.487 ( 0.698 10.665 3.441) 11.228 15.020 ( -18.742 -8.561 -0.494) 20.611 15.561 ( 7.617 -7.080 0.561) 10.414 15.899 ( 13.940 18.313 0.213) 23.016 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -8.720 -0.375 4.015) 9.607 3.640 ( 0.226 -2.820 -5.115) 5.846 4.105 ( -21.392 -0.835 1.534) 21.463 4.925 ( -2.960 -19.051 2.554) 19.448 5.306 ( -4.343 7.921 -2.663) 9.418 5.459 ( -0.209 1.439 1.582) 2.148 5.861 ( 8.306 12.332 -1.291) 14.924 6.167 ( -5.436 4.316 18.621) 19.872 6.680 ( 6.927 8.152 -4.045) 11.437 9.052 ( 3.560 -11.940 -7.860) 14.731 9.514 ( 1.147 -0.713 5.641) 5.800 9.678 ( 4.813 -4.830 -14.104) 15.666 11.332 ( 4.787 8.323 0.980) 9.651 11.840 ( -0.357 -18.228 -0.660) 18.243 12.656 ( 3.808 9.773 3.378) 11.020 14.616 ( -16.030 -9.789 -0.504) 18.789 15.644 ( 6.799 -2.984 0.231) 7.429 16.316 ( 12.797 16.331 1.402) 20.795 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -11.416 -3.846 3.289) 12.487 3.463 ( -17.170 1.898 -2.374) 17.437 3.832 ( -9.118 -0.513 -0.236) 9.135 4.728 ( -0.506 -13.650 -0.572) 13.671 5.265 ( -6.511 5.009 0.464) 8.228 5.442 ( -4.979 2.187 4.400) 6.996 6.165 ( 3.152 6.105 7.835) 10.421 6.213 ( 4.919 10.297 10.928) 15.800 6.889 ( 5.656 12.623 -3.301) 14.220 8.934 ( -0.729 -11.033 -5.441) 12.323 9.510 ( 3.883 -8.711 2.335) 9.819 9.642 ( 4.473 -6.752 -18.833) 20.501 11.429 ( 1.242 -2.469 -2.943) 4.037 11.831 ( 12.264 -3.272 4.704) 13.537 12.823 ( 5.049 5.662 1.953) 7.834 14.266 ( -11.628 -10.307 -0.216) 15.540 15.719 ( 3.062 -0.103 0.029) 3.064 16.679 ( 10.919 12.014 2.623) 16.446 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 0.000 4.264 1.406) 4.489 2.884 ( -0.000 5.828 5.962) 8.338 3.690 ( 0.000 -0.518 -8.573) 8.589 3.726 ( 0.000 4.684 -1.793) 5.015 5.086 ( -0.000 -30.366 14.998) 33.868 5.563 ( 0.000 12.926 3.670) 13.437 6.440 ( -0.000 -2.131 -0.568) 2.205 6.447 ( 0.000 11.564 -0.459) 11.573 7.105 ( 0.000 -4.029 -4.318) 5.906 9.143 ( 0.000 10.412 -3.839) 11.097 9.721 ( -0.000 6.220 3.360) 7.070 10.303 ( 0.000 -3.863 -7.808) 8.712 11.144 ( -0.000 -10.497 -2.628) 10.821 12.067 ( -0.000 -12.597 -2.685) 12.880 12.465 ( -0.000 -4.939 3.856) 6.266 13.931 ( -0.000 0.145 0.600) 0.617 15.866 ( -0.000 -4.257 -0.661) 4.308 16.839 ( -0.000 2.607 3.284) 4.194 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 9.888 3.991 -1.347) 10.748 2.997 ( 7.394 2.498 8.237) 11.347 3.644 ( -1.503 0.789 -3.839) 4.197 3.864 ( 10.890 2.640 -2.015) 11.385 4.915 ( 6.400 -23.707 13.506) 28.025 5.680 ( -0.156 7.976 1.775) 8.172 6.360 ( -6.474 2.614 -0.560) 7.004 6.565 ( 1.881 4.233 0.097) 4.634 7.074 ( 1.039 -2.081 -2.655) 3.530 9.210 ( -1.770 8.452 -3.960) 9.500 9.689 ( -9.771 3.494 -0.059) 10.377 10.050 ( -17.505 -3.615 -7.544) 19.401 11.246 ( 17.634 -4.764 -1.645) 18.340 11.931 ( -1.377 -8.665 -2.181) 9.041 12.409 ( -3.003 -3.739 5.307) 7.153 14.046 ( 11.865 1.216 0.197) 11.928 15.800 ( -2.942 -3.981 -0.506) 4.976 16.797 ( -7.976 1.018 2.401) 8.391 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( 5.619 1.653 0.591) 5.887 3.330 ( 21.542 1.102 3.738) 21.892 3.629 ( -0.300 1.609 1.070) 1.955 4.139 ( 17.636 2.113 -0.574) 17.772 4.929 ( 12.156 -14.398 10.499) 21.570 5.723 ( -1.505 2.633 -0.189) 3.039 6.238 ( -10.784 2.465 -1.342) 11.143 6.607 ( 0.772 -0.258 -1.215) 1.462 7.062 ( -1.185 -0.344 -0.708) 1.423 9.186 ( -8.046 2.498 -4.492) 9.547 9.500 ( -10.157 5.055 -6.837) 13.246 9.715 ( -15.394 -0.900 2.225) 15.580 11.531 ( 15.323 1.040 -0.639) 15.372 11.837 ( 0.145 -6.398 -4.487) 7.816 12.344 ( -2.083 -2.451 6.397) 7.160 14.345 ( 18.782 2.788 -0.100) 18.988 15.678 ( -5.757 -4.100 -0.091) 7.069 16.602 ( -15.051 -0.220 1.165) 15.097 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 7.401 -0.626 -0.180) 7.430 3.548 ( -0.952 2.717 0.856) 3.004 3.848 ( 23.512 -1.726 6.105) 24.353 4.498 ( 20.192 1.697 1.101) 20.293 5.109 ( 15.331 -4.877 6.488) 17.348 5.679 ( -3.600 -1.344 -2.441) 4.552 6.007 ( -15.907 -0.448 -2.302) 16.079 6.574 ( -1.161 -2.817 -5.836) 6.583 6.970 ( -9.746 -0.422 -1.953) 9.948 9.020 ( -6.664 2.685 -0.966) 7.249 9.473 ( -0.727 5.484 -3.233) 6.407 9.478 ( -12.477 0.560 5.833) 13.785 11.660 ( -2.367 -7.518 -3.072) 8.459 11.846 ( 6.446 8.254 -1.143) 10.535 12.355 ( 3.963 -2.935 3.263) 5.913 14.723 ( 20.947 0.449 -0.049) 20.952 15.544 ( -5.414 -0.246 0.126) 5.421 16.285 ( -20.172 -0.755 0.082) 20.187 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( 8.317 -2.167 -2.020) 8.829 3.530 ( -4.357 2.757 4.162) 6.627 4.241 ( 21.497 -6.579 4.827) 22.994 4.862 ( 18.445 0.130 3.222) 18.725 5.368 ( 12.222 0.672 1.283) 12.308 5.581 ( -3.595 0.480 -4.813) 6.026 5.669 ( -18.277 -3.121 -2.147) 18.665 6.487 ( -2.204 -1.268 -10.438) 10.743 6.710 ( -15.691 -1.424 -1.598) 15.836 9.046 ( -0.213 5.258 7.042) 8.791 9.309 ( -3.466 -2.595 1.841) 4.705 9.546 ( 0.597 6.064 2.398) 6.548 11.460 ( -7.536 -6.134 -6.641) 11.769 12.036 ( 1.591 7.456 5.795) 9.576 12.413 ( 5.476 -1.969 -2.640) 6.390 15.008 ( 16.072 -13.412 0.829) 20.949 15.567 ( 2.326 13.868 -0.657) 14.077 15.906 ( -21.640 1.208 -0.436) 21.679 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 3.401 -3.536 -3.044) 5.774 3.507 ( -1.175 2.137 5.009) 5.571 4.440 ( 9.631 -13.330 3.076) 16.730 5.103 ( 4.104 -10.263 8.477) 13.930 5.314 ( -8.998 1.734 -6.371) 11.161 5.445 ( -0.350 2.268 -2.793) 3.615 5.683 ( 5.084 9.227 -5.869) 12.059 6.443 ( -5.374 8.394 -2.229) 10.213 6.475 ( -2.895 -3.717 -2.533) 5.349 9.003 ( -4.846 -4.531 2.490) 7.086 9.397 ( 6.555 4.835 4.135) 9.135 9.605 ( 0.281 0.305 2.917) 2.946 11.296 ( -3.589 0.536 -5.065) 6.231 12.004 ( -6.758 -7.433 1.933) 10.230 12.529 ( 5.379 6.672 -0.488) 8.584 15.005 ( 2.944 -20.629 0.844) 20.855 15.576 ( -11.224 3.011 -0.752) 11.646 15.906 ( 8.773 22.000 -0.414) 23.688 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.311 ( -4.972 -5.000 1.145) 7.144 3.570 ( 3.487 1.180 -0.368) 3.699 4.341 ( -6.014 -10.917 1.489) 12.552 4.807 ( -10.089 -18.536 2.869) 21.298 5.401 ( 4.623 3.562 0.569) 5.864 5.468 ( -0.936 5.151 -3.918) 6.539 5.854 ( 5.905 12.556 -3.444) 14.296 6.361 ( -5.183 1.189 9.267) 10.685 6.623 ( 8.596 11.964 -5.470) 15.714 8.884 ( -1.163 -7.261 -2.462) 7.755 9.477 ( -2.512 -9.056 8.461) 12.645 9.606 ( 2.100 3.405 -7.311) 8.334 11.352 ( 4.882 9.631 -0.707) 10.821 11.733 ( -8.863 -15.221 -0.704) 17.628 12.690 ( 3.798 7.442 1.364) 8.465 14.718 ( -10.456 -18.483 -0.016) 21.235 15.554 ( 2.457 4.495 0.024) 5.122 16.295 ( 10.517 18.976 0.040) 21.696 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -7.853 -7.341 1.707) 10.885 3.615 ( -0.824 2.998 -2.029) 3.712 4.074 ( -15.957 -2.244 1.060) 16.149 4.524 ( 0.842 -19.922 -0.787) 19.955 5.426 ( -4.640 4.590 -1.053) 6.611 5.521 ( 1.088 2.372 3.960) 4.743 6.130 ( 9.295 13.328 0.831) 16.270 6.350 ( -2.319 3.098 8.364) 9.215 6.898 ( 7.755 14.247 -2.028) 16.347 8.801 ( 1.130 -7.157 -4.288) 8.419 9.279 ( -2.509 -15.950 -4.483) 16.757 9.628 ( -1.393 -0.019 -1.415) 1.986 11.424 ( -6.840 -7.917 -2.725) 10.811 11.636 ( 11.974 6.313 3.276) 13.927 12.814 ( 2.931 4.693 0.932) 5.611 14.341 ( -11.415 -15.549 -0.083) 19.289 15.671 ( 4.240 4.351 -0.052) 6.075 16.638 ( 9.163 13.517 0.997) 16.360 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -0.000 1.081 0.851) 1.375 3.001 ( -0.000 0.754 7.112) 7.152 3.655 ( 0.000 1.306 -0.834) 1.550 3.784 ( 0.000 2.027 -1.018) 2.268 4.697 ( -0.000 -16.080 11.944) 20.031 5.746 ( 0.000 3.688 -0.042) 3.688 6.412 ( -0.000 -0.615 0.546) 0.823 6.596 ( 0.000 4.071 -3.364) 5.281 7.049 ( 0.000 -0.031 -0.372) 0.373 9.277 ( 0.000 5.293 -5.930) 7.949 9.807 ( 0.000 1.218 -0.670) 1.390 10.206 ( 0.000 0.272 -6.947) 6.953 10.996 ( -0.000 -3.007 0.374) 3.030 11.877 ( 0.000 -3.919 -2.682) 4.749 12.424 ( -0.000 -2.777 6.383) 6.961 13.935 ( -0.000 -0.045 0.117) 0.125 15.805 ( -0.000 -1.240 -0.292) 1.274 16.880 ( -0.000 -0.165 1.509) 1.518 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( 10.064 -0.138 -2.044) 10.270 3.063 ( 7.187 -2.459 9.188) 11.921 3.671 ( -1.134 2.558 2.912) 4.039 3.897 ( 10.998 1.224 0.353) 11.072 4.683 ( 7.073 -6.192 8.973) 12.995 5.749 ( -0.757 -1.152 -1.815) 2.279 6.377 ( -4.471 -0.066 -0.341) 4.485 6.592 ( -0.814 -0.550 -4.587) 4.691 7.068 ( 0.832 1.544 1.616) 2.385 9.268 ( -2.570 0.554 -7.293) 7.753 9.698 ( -10.262 -0.041 -5.008) 11.419 10.035 ( -15.318 4.134 1.461) 15.934 11.199 ( 19.240 0.896 -0.648) 19.272 11.822 ( -2.759 0.026 -3.599) 4.535 12.400 ( -2.779 -1.430 7.165) 7.817 14.058 ( 13.329 -0.103 -0.061) 13.330 15.760 ( -4.422 0.229 0.041) 4.428 16.804 ( -8.065 -1.134 0.444) 8.156 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 5.897 -2.672 -0.735) 6.516 3.346 ( 22.114 -3.464 5.668) 23.090 3.682 ( -1.461 1.366 5.289) 5.655 4.175 ( 17.866 0.864 3.080) 18.151 4.871 ( 12.443 3.461 5.203) 13.924 5.685 ( -1.717 -5.013 -3.660) 6.440 6.220 ( -11.298 -2.602 -2.902) 11.951 6.532 ( -1.180 -3.443 -7.490) 8.327 7.085 ( -3.290 1.805 0.726) 3.822 9.136 ( -6.111 -1.604 -6.779) 9.267 9.543 ( -5.434 0.891 -2.361) 5.991 9.828 ( -16.783 7.342 9.561) 20.663 11.533 ( 12.429 -1.067 -0.023) 12.475 11.792 ( 2.769 6.699 -8.453) 11.135 12.360 ( -3.487 -0.470 7.381) 8.177 14.347 ( 19.080 -2.543 0.071) 19.248 15.679 ( -6.005 4.028 -0.007) 7.231 16.585 ( -14.900 -1.546 -0.335) 14.984 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 7.434 -4.105 -1.237) 8.582 3.638 ( -0.409 3.426 4.623) 5.769 3.763 ( 21.616 -10.847 5.522) 24.808 4.532 ( 19.745 -0.546 5.804) 20.587 5.193 ( 13.564 10.098 1.238) 16.955 5.582 ( -1.108 -5.204 -5.345) 7.541 5.920 ( -16.000 -5.496 -4.209) 17.434 6.436 ( -1.073 -3.845 -11.953) 12.602 6.943 ( -12.585 -0.333 -4.276) 13.296 9.109 ( 3.259 4.764 2.279) 6.206 9.419 ( -9.022 -4.037 4.264) 10.764 9.704 ( -9.964 9.174 9.390) 16.481 11.497 ( -5.731 -3.165 -6.352) 9.122 12.080 ( 12.996 13.094 -1.885) 18.545 12.308 ( -3.065 -3.004 3.245) 5.380 14.607 ( 15.948 -10.016 0.788) 18.849 15.687 ( -0.824 11.923 -1.149) 12.007 16.270 ( -18.747 -0.089 -0.391) 18.752 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( 7.834 -5.233 -3.214) 9.954 3.613 ( -4.274 -0.017 7.385) 8.532 4.029 ( 18.927 -15.503 1.874) 24.538 4.862 ( 15.931 -4.120 9.059) 18.784 5.434 ( 2.189 1.445 -1.935) 3.259 5.511 ( -11.572 -2.424 -9.099) 14.919 5.658 ( 4.123 7.628 -3.045) 9.190 6.358 ( 2.117 -2.258 -15.415) 15.722 6.689 ( -12.073 1.346 -2.892) 12.487 9.189 ( -13.472 -1.244 9.116) 16.313 9.321 ( 9.196 4.776 5.258) 11.619 9.675 ( -5.853 2.796 8.207) 10.461 11.350 ( -4.992 1.085 -7.102) 8.749 12.135 ( -11.404 -3.460 3.720) 12.485 12.440 ( 11.949 8.936 -3.231) 15.267 14.696 ( 9.241 -15.957 1.320) 18.487 15.788 ( -6.392 4.567 -2.790) 8.337 16.058 ( -4.439 15.855 0.398) 16.469 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 3.663 -7.806 -4.329) 9.648 3.576 ( -0.927 -1.329 6.922) 7.109 4.111 ( 10.199 -17.874 0.187) 20.580 4.903 ( -9.994 -12.451 6.623) 17.285 5.309 ( 3.958 0.311 -3.463) 5.268 5.494 ( 1.899 2.184 -4.726) 5.542 5.879 ( 5.374 14.629 -4.653) 16.265 6.346 ( 3.695 -2.667 -13.915) 14.642 6.645 ( 1.989 10.653 2.113) 11.041 8.969 ( -11.307 -2.811 7.269) 13.733 9.514 ( -1.437 -1.005 15.244) 15.345 9.578 ( -2.044 -0.545 -4.981) 5.412 11.348 ( 2.732 6.229 -2.048) 7.103 11.843 ( -14.881 -6.690 -0.909) 16.341 12.679 ( 6.130 7.880 -0.896) 10.023 14.610 ( -0.118 -18.645 0.663) 18.657 15.649 ( -6.512 4.236 -0.694) 7.799 16.330 ( 7.603 19.835 -1.149) 21.273 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -0.000 -2.160 0.232) 2.173 3.004 ( -0.000 -5.383 7.255) 9.034 3.747 ( -0.000 5.027 7.647) 9.152 3.793 ( -0.000 -0.698 -0.172) 0.719 4.634 ( -0.000 3.761 6.164) 7.221 5.711 ( 0.000 -5.959 -3.195) 6.761 6.423 ( -0.000 0.949 1.501) 1.775 6.564 ( 0.000 -3.731 -5.921) 6.998 7.087 ( -0.000 2.720 2.946) 4.010 9.256 ( 0.000 -2.334 -7.662) 8.009 9.764 ( 0.000 -3.456 -4.381) 5.580 10.234 ( 0.000 6.287 -4.768) 7.890 11.028 ( -0.000 4.754 3.130) 5.692 11.872 ( 0.000 4.976 -2.628) 5.627 12.445 ( -0.000 0.145 7.887) 7.888 13.930 ( 0.000 -0.339 -0.292) 0.447 15.810 ( 0.000 1.628 0.150) 1.635 16.860 ( -0.000 -2.026 -0.232) 2.039 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 8.780 -3.516 -2.406) 9.759 3.018 ( 8.530 -8.167 8.538) 14.573 3.753 ( -1.883 0.807 4.530) 4.972 3.944 ( 10.948 2.184 6.880) 13.113 4.797 ( 6.717 12.927 2.675) 14.812 5.610 ( -0.338 -10.176 -4.488) 11.127 6.352 ( -8.237 -2.777 -1.588) 8.837 6.493 ( -0.708 -3.978 -5.656) 6.951 7.142 ( 0.209 3.706 3.099) 4.836 9.158 ( -3.407 -4.844 -7.819) 9.809 9.633 ( -6.162 -3.355 -4.219) 8.187 10.192 ( -10.601 8.660 3.195) 14.056 11.271 ( 15.998 6.028 0.713) 17.111 11.877 ( -4.967 8.251 -5.421) 11.052 12.461 ( -2.857 2.304 8.755) 9.493 14.041 ( 12.312 -1.370 -0.199) 12.390 15.803 ( -3.205 3.671 -0.279) 4.881 16.765 ( -7.819 -2.484 -0.419) 8.215 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 6.089 -6.047 -0.817) 8.620 3.239 ( 21.802 -10.774 4.142) 24.669 3.737 ( -2.212 -0.587 5.340) 5.810 4.232 ( 16.320 0.559 9.173) 18.730 5.125 ( 10.681 19.047 -0.969) 21.859 5.478 ( 0.758 -11.768 -5.378) 12.960 6.093 ( -13.023 -7.457 -4.280) 15.605 6.399 ( -3.238 -2.894 -8.480) 9.527 7.117 ( -8.041 1.321 -2.049) 8.402 9.071 ( 2.152 -1.314 -2.158) 3.319 9.501 ( -4.465 -3.938 0.370) 5.965 10.090 ( -14.412 10.235 10.506) 20.563 11.532 ( 2.781 2.339 -1.078) 3.791 11.931 ( 7.568 12.022 -10.082) 17.420 12.450 ( -6.010 4.341 8.739) 11.460 14.260 ( 14.426 -5.574 0.459) 15.472 15.808 ( -1.489 8.016 -1.979) 8.390 16.549 ( -13.607 -1.414 0.292) 13.683 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 7.556 -7.255 -1.520) 10.585 3.483 ( 18.425 -19.108 2.173) 26.633 3.718 ( 0.076 0.385 4.618) 4.635 4.566 ( 17.531 -2.119 11.111) 20.863 5.360 ( 2.735 -7.740 -3.578) 8.955 5.522 ( 8.356 14.672 -8.710) 18.999 5.765 ( -11.548 -3.326 -2.642) 12.305 6.279 ( -2.472 -2.238 -12.970) 13.392 6.895 ( -12.979 -0.743 -5.680) 14.187 9.195 ( 8.416 -0.441 4.252) 9.439 9.382 ( -5.185 -1.547 4.194) 6.846 9.974 ( -15.040 8.749 14.582) 22.702 11.468 ( -7.680 4.422 -5.183) 10.267 12.188 ( 6.572 1.344 -7.710) 10.220 12.434 ( -2.735 11.945 6.422) 13.836 14.395 ( 9.832 -10.675 1.224) 14.564 15.884 ( -0.348 6.524 -4.759) 8.083 16.329 ( -10.990 7.257 1.864) 13.301 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 6.906 -8.508 -3.552) 11.519 3.483 ( 6.873 -20.090 4.752) 21.759 3.797 ( 7.161 -4.660 0.736) 8.576 4.830 ( 9.694 -6.554 11.584) 16.466 5.275 ( -2.192 -8.157 -8.287) 11.833 5.444 ( -1.604 -2.706 -4.047) 5.126 5.937 ( 5.786 19.871 -4.928) 21.275 6.198 ( 1.792 -1.603 -16.813) 16.984 6.734 ( -2.964 4.519 -0.825) 5.467 9.137 ( -7.868 -7.506 6.946) 12.903 9.479 ( 6.806 4.314 1.196) 8.146 9.818 ( -16.967 4.027 17.210) 24.501 11.408 ( -3.287 7.148 -2.561) 8.274 12.048 ( -12.797 -2.493 -2.846) 13.345 12.655 ( 6.307 11.778 -0.575) 13.373 14.403 ( 4.359 -13.639 0.992) 14.353 15.799 ( -7.583 -0.298 -2.268) 7.921 16.426 ( 3.189 18.468 -0.923) 18.764 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -0.000 -5.575 -0.770) 5.628 2.893 ( -0.000 -10.237 6.426) 12.087 3.752 ( -0.000 -3.478 0.620) 3.533 3.931 ( -0.000 4.409 13.508) 14.209 4.917 ( 0.000 21.112 -0.493) 21.118 5.467 ( -0.000 -14.789 -4.885) 15.575 6.371 ( 0.000 -10.342 -7.146) 12.571 6.471 ( -0.000 2.447 2.188) 3.283 7.196 ( -0.000 5.532 3.959) 6.803 9.104 ( 0.000 -6.667 -7.178) 9.797 9.618 ( 0.000 -7.110 -5.756) 9.148 10.365 ( 0.000 8.501 -2.966) 9.004 11.218 ( 0.000 11.075 3.897) 11.741 12.021 ( 0.000 11.399 -4.282) 12.177 12.559 ( -0.000 5.253 10.040) 11.331 13.918 ( 0.000 -0.488 -0.523) 0.715 15.860 ( 0.000 3.058 -1.218) 3.291 16.805 ( -0.000 -3.022 0.297) 3.037 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.763 ( 8.298 -6.932 -2.885) 11.191 2.851 ( 8.028 -13.494 6.230) 16.892 3.732 ( 1.365 -4.361 1.849) 4.930 4.070 ( 7.257 0.683 13.796) 15.604 5.201 ( 5.643 24.668 -4.682) 25.735 5.295 ( 0.961 -15.826 -3.797) 16.304 6.168 ( -7.043 -11.126 -6.108) 14.515 6.452 ( -5.358 1.673 -0.794) 5.670 7.246 ( -3.852 4.759 0.815) 6.177 9.003 ( 0.359 -5.483 -4.257) 6.951 9.500 ( -1.885 -6.924 -3.057) 7.800 10.396 ( -5.763 8.738 2.404) 10.740 11.448 ( 9.220 10.546 1.266) 14.065 12.060 ( -6.391 13.387 -6.685) 16.271 12.632 ( -3.647 8.181 10.114) 13.510 14.006 ( 9.653 -1.862 -0.097) 9.832 15.876 ( -0.458 3.864 -3.513) 5.242 16.716 ( -6.951 -2.215 2.110) 7.594 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 6.422 -10.297 0.108) 12.137 2.967 ( 17.803 -17.113 -0.362) 24.697 3.711 ( 0.772 -4.961 2.929) 5.812 4.295 ( 14.535 -3.826 12.851) 19.775 5.156 ( 4.160 -15.900 -3.032) 16.713 5.543 ( 5.356 18.935 -10.084) 22.111 5.910 ( -8.335 -1.596 -2.267) 8.784 6.332 ( -7.910 1.402 -5.145) 9.540 7.099 ( -13.469 -0.233 -5.885) 14.701 9.045 ( 8.208 -2.174 2.816) 8.946 9.409 ( -1.014 -4.751 1.007) 4.961 10.358 ( -11.010 8.663 9.378) 16.859 11.625 ( -2.136 7.735 -1.716) 8.206 12.113 ( 1.822 12.507 -8.511) 15.238 12.669 ( -6.300 11.014 8.349) 15.189 14.148 ( 9.231 -5.557 0.808) 10.805 15.906 ( 1.026 3.086 -6.811) 7.547 16.574 ( -9.026 3.362 4.270) 10.535 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 8.192 -10.983 -1.082) 13.744 3.038 ( 14.164 -24.326 -1.224) 28.176 3.703 ( 2.972 -4.282 2.300) 5.697 4.567 ( 16.532 -7.550 11.146) 21.320 5.086 ( 5.842 -14.119 -3.215) 15.614 5.481 ( -6.765 -5.102 -8.172) 11.772 6.060 ( 3.405 24.977 -4.628) 25.629 6.194 ( -6.487 2.152 -8.598) 10.984 6.845 ( -8.751 -0.203 -4.321) 9.761 9.125 ( 1.767 -8.349 5.579) 10.196 9.420 ( 3.915 1.943 0.654) 4.419 10.248 ( -15.715 7.473 15.263) 23.147 11.588 ( -7.969 9.162 -2.164) 12.334 12.184 ( -4.167 4.512 -5.959) 8.557 12.745 ( -1.349 14.429 3.585) 14.929 14.207 ( 5.256 -8.538 1.010) 10.077 15.866 ( -3.357 -3.239 -5.118) 6.925 16.579 ( -1.209 14.065 1.535) 14.200 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -0.000 -9.568 -2.490) 9.887 2.677 ( -0.000 -14.925 4.144) 15.489 3.662 ( -0.000 -6.066 1.301) 6.204 4.041 ( -0.000 -5.616 13.300) 14.437 5.076 ( -0.000 -18.384 -2.849) 18.603 5.421 ( 0.000 26.714 -6.729) 27.548 6.088 ( 0.000 -10.002 -5.697) 11.510 6.546 ( -0.000 3.195 2.173) 3.864 7.359 ( 0.000 8.270 1.429) 8.392 8.918 ( 0.000 -6.769 -4.310) 8.025 9.413 ( 0.000 -8.998 -4.461) 10.043 10.512 ( 0.000 6.995 -1.264) 7.108 11.511 ( 0.000 14.875 2.718) 15.122 12.251 ( 0.000 14.509 -5.450) 15.499 12.809 ( -0.000 11.923 10.836) 16.111 13.906 ( 0.000 -0.257 -0.395) 0.471 15.883 ( 0.000 0.708 -6.128) 6.168 16.766 ( -0.000 -1.895 5.133) 5.472 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 9.423 -16.375 -1.804) 18.978 2.563 ( 4.953 -13.905 0.066) 14.761 3.621 ( 1.989 -7.704 1.559) 8.108 4.049 ( 8.705 -13.914 9.839) 19.136 4.914 ( 2.782 -17.399 1.455) 17.680 5.605 ( -0.082 7.597 -12.761) 14.851 6.030 ( -1.343 12.127 -0.635) 12.218 6.509 ( -7.902 3.505 0.691) 8.672 7.333 ( -12.294 5.168 -4.969) 14.232 8.895 ( 5.636 -3.848 0.799) 6.871 9.334 ( 2.394 -6.994 -1.231) 7.494 10.561 ( -2.050 5.682 2.011) 6.366 11.702 ( 2.542 13.390 0.334) 13.633 12.315 ( -6.928 16.002 -5.548) 18.299 12.929 ( -5.239 13.730 9.276) 17.378 13.972 ( 6.620 -1.416 0.298) 6.777 15.862 ( 1.423 -1.668 -9.207) 9.464 16.738 ( -4.423 1.361 7.884) 9.142 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 10.642 -21.727 0.816) 24.207 2.586 ( 10.190 -15.893 -4.919) 19.509 3.581 ( 3.666 -9.247 1.123) 10.011 4.165 ( 18.363 -16.941 6.324) 25.772 4.820 ( 5.473 -17.367 2.750) 18.415 5.498 ( -4.559 -4.260 -9.308) 11.205 6.272 ( 1.688 25.323 -2.129) 25.469 6.391 ( -10.098 8.042 -0.144) 12.910 7.039 ( -17.425 -0.279 -8.029) 19.188 8.985 ( 6.439 -6.023 3.337) 9.427 9.363 ( 4.675 -0.424 1.375) 4.892 10.556 ( -6.717 4.882 7.120) 10.938 11.806 ( -4.885 10.508 -1.419) 11.675 12.337 ( -6.292 14.656 -4.896) 16.684 12.990 ( -6.533 14.725 6.357) 17.318 14.056 ( 5.037 -3.953 0.872) 6.462 15.818 ( 0.719 -5.791 -8.277) 10.127 16.744 ( -2.400 8.762 5.650) 10.698 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -0.000 -14.801 -5.115) 15.659 2.336 ( -0.000 -20.245 -0.075) 20.245 3.530 ( -0.000 -7.808 1.874) 8.030 3.773 ( -0.000 -27.576 4.517) 27.943 4.726 ( -0.000 -18.119 5.698) 18.993 5.583 ( 0.000 -2.884 -11.276) 11.639 6.233 ( 0.000 25.116 0.119) 25.116 6.617 ( 0.000 2.306 0.961) 2.498 7.536 ( 0.000 11.433 -8.247) 14.097 8.808 ( -0.000 -2.398 2.063) 3.163 9.214 ( -0.000 -8.113 -0.939) 8.168 10.614 ( 0.000 2.969 0.438) 3.002 11.836 ( 0.000 15.490 0.233) 15.492 12.537 ( 0.000 17.124 -3.897) 17.562 13.169 ( -0.000 15.989 8.449) 18.084 13.907 ( -0.000 0.460 0.287) 0.542 15.771 ( 0.000 -5.793 -11.451) 12.833 16.820 ( -0.000 1.303 11.373) 11.448 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 3.725 -24.523 -3.949) 25.117 2.248 ( 9.322 -16.951 -4.138) 19.783 3.404 ( 1.058 -18.681 0.646) 18.722 3.662 ( 15.589 -22.152 3.237) 27.280 4.565 ( 2.518 -21.901 4.612) 22.522 5.501 ( -2.346 -1.520 -6.391) 6.975 6.492 ( -1.309 19.560 -0.258) 19.605 6.602 ( -2.632 7.972 2.119) 8.658 7.414 ( -21.207 10.887 -13.388) 27.340 8.846 ( 3.937 -2.847 3.434) 5.949 9.239 ( 8.665 -2.099 2.093) 9.158 10.645 ( 0.513 0.944 2.086) 2.346 11.974 ( -1.783 13.270 -1.259) 13.448 12.635 ( -7.538 18.468 -2.773) 20.139 13.291 ( -6.776 15.764 6.564) 18.371 13.958 ( 3.860 -0.251 0.871) 3.965 15.677 ( 2.398 -8.949 -10.972) 14.360 16.871 ( -1.106 4.478 10.618) 11.577 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -0.000 -25.506 -5.545) 26.102 1.890 ( -0.000 -21.395 -8.046) 22.857 3.069 ( -0.000 -41.898 2.381) 41.965 3.381 ( -0.000 -7.983 2.135) 8.264 4.313 ( -0.000 -26.128 2.975) 26.297 5.504 ( 0.000 1.172 -2.877) 3.106 6.645 ( 0.000 0.362 -0.777) 0.857 6.721 ( 0.000 17.176 4.687) 17.804 7.740 ( 0.000 22.527 -27.027) 35.184 8.864 ( -0.000 2.857 11.627) 11.973 9.084 ( -0.000 -5.338 2.778) 6.017 10.627 ( -0.000 -2.608 1.652) 3.087 12.124 ( 0.000 13.369 -2.262) 13.559 12.896 ( 0.000 19.881 -0.995) 19.906 13.547 ( 0.000 16.061 4.668) 16.726 13.931 ( -0.000 1.395 1.267) 1.884 15.501 ( 0.000 -11.998 -11.916) 16.910 16.956 ( -0.000 2.640 13.649) 13.902 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.000 0.000 29.733) 29.733 0.653 ( -0.000 0.000 29.733) 29.733 1.084 ( -0.000 0.000 50.365) 50.365 3.069 ( 0.000 -0.000 -3.305) 3.305 3.069 ( 0.000 -0.000 -3.305) 3.305 5.516 ( 0.000 -0.000 -8.840) 8.840 6.622 ( -0.000 0.000 1.563) 1.563 6.622 ( -0.000 0.000 1.563) 1.563 8.938 ( 0.000 -0.000 -2.995) 2.995 8.938 ( 0.000 -0.000 -2.995) 2.995 10.172 ( 0.000 -0.000 -0.684) 0.684 11.627 ( -0.000 0.000 3.500) 3.500 12.565 ( -0.000 -0.000 1.923) 1.923 12.565 ( -0.000 0.000 1.923) 1.923 14.011 ( 0.000 -0.000 -0.941) 0.941 14.011 ( 0.000 -0.000 -0.941) 0.941 14.142 ( 0.000 -0.000 -1.999) 1.999 16.750 ( 0.000 -0.000 -0.318) 0.318 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 14.587 8.422 19.216) 25.553 0.981 ( 9.698 5.599 29.050) 31.133 1.737 ( 35.398 20.437 32.195) 52.031 3.117 ( 4.069 2.349 -2.886) 5.514 3.219 ( 14.094 8.137 -4.212) 16.811 5.470 ( -0.891 -0.514 -9.843) 9.897 6.612 ( -0.512 -0.295 0.920) 1.093 6.690 ( 2.994 1.729 -5.362) 6.380 8.452 ( -35.970 -20.767 0.775) 41.541 9.000 ( 3.959 2.286 -1.429) 4.789 10.087 ( -17.094 -9.869 14.359) 24.408 10.524 ( -11.786 -6.805 22.065) 25.924 12.472 ( -6.606 -3.814 0.638) 7.654 13.408 ( 5.450 3.147 -22.765) 23.619 13.887 ( -8.572 -4.949 -3.740) 10.582 14.022 ( 0.119 0.069 -0.176) 0.224 14.635 ( 30.580 17.655 -2.989) 35.437 16.888 ( 10.155 5.863 -10.102) 15.478 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 20.161 11.640 9.652) 25.201 1.380 ( 16.873 9.742 19.004) 27.217 2.709 ( 37.635 21.728 20.142) 47.898 3.229 ( 5.986 3.456 -2.597) 7.384 3.647 ( 22.367 12.914 -4.089) 26.149 5.411 ( -1.191 -0.687 -9.276) 9.377 6.605 ( -0.241 -0.139 0.044) 0.282 6.719 ( 2.106 1.216 -9.835) 10.131 7.583 ( -35.069 -20.247 1.573) 40.525 9.108 ( 5.176 2.988 0.617) 6.008 9.767 ( -14.069 -8.123 19.102) 25.077 10.545 ( 0.812 0.469 -0.783) 1.221 12.270 ( -10.285 -5.938 -0.841) 11.905 13.216 ( -12.349 -7.130 -7.805) 16.256 13.626 ( -10.696 -6.175 -8.281) 14.870 14.015 ( -0.730 -0.422 0.541) 1.002 15.162 ( 15.368 8.873 5.901) 18.701 17.066 ( 7.351 4.244 -9.429) 12.687 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 18.989 10.964 5.578) 22.626 1.878 ( 20.592 11.889 10.567) 26.020 3.367 ( 6.304 3.640 -2.585) 7.725 3.585 ( 31.550 18.215 8.949) 37.513 4.185 ( 23.535 13.588 -0.908) 27.191 5.357 ( -0.884 -0.510 -6.347) 6.429 6.599 ( -0.167 -0.097 -0.859) 0.881 6.681 ( -6.405 -3.698 -12.346) 14.392 6.941 ( -15.147 -8.745 5.695) 18.395 9.239 ( 5.257 3.035 2.792) 6.681 9.520 ( -12.836 -7.411 16.747) 22.364 10.441 ( -8.640 -4.989 -10.635) 14.583 11.999 ( -11.967 -6.909 -2.242) 14.000 12.863 ( -15.264 -8.813 -1.241) 17.669 13.365 ( -8.741 -5.046 -8.487) 13.187 13.994 ( -1.267 -0.732 0.978) 1.760 15.458 ( 8.575 4.951 7.267) 12.282 17.158 ( 2.606 1.505 -4.831) 5.692 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 15.653 9.037 3.803) 18.471 2.401 ( 21.346 12.324 5.075) 25.166 3.496 ( 5.363 3.096 -2.644) 6.734 4.194 ( 19.187 11.078 -7.671) 23.446 4.724 ( 20.795 12.006 8.494) 25.470 5.330 ( 0.011 0.006 -1.745) 1.745 6.397 ( -9.100 -5.254 5.640) 11.926 6.588 ( -0.419 -0.242 -1.542) 1.617 6.894 ( 3.690 2.130 -4.656) 6.311 9.278 ( -12.520 -7.229 14.947) 20.795 9.366 ( 4.329 2.500 4.542) 6.754 10.069 ( -17.999 -10.392 -17.613) 27.243 11.710 ( -11.537 -6.661 -3.274) 13.718 12.527 ( -12.941 -7.471 0.243) 14.945 13.163 ( -6.355 -3.669 -5.579) 9.218 13.967 ( -1.272 -0.734 1.059) 1.810 15.634 ( 4.779 2.759 5.203) 7.584 17.161 ( -1.197 -0.691 -1.405) 1.971 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 11.413 6.589 2.630) 13.438 2.906 ( 20.676 11.938 1.223) 23.906 3.596 ( 3.882 2.241 -2.299) 5.037 4.413 ( 3.689 2.130 -18.199) 18.691 5.156 ( 11.386 6.574 9.504) 16.223 5.405 ( 7.426 4.287 8.972) 12.410 6.347 ( 0.554 0.320 10.063) 10.084 6.568 ( -0.783 -0.452 -1.879) 2.085 6.987 ( 5.522 3.188 -6.293) 8.959 9.041 ( -11.466 -6.620 9.947) 16.560 9.468 ( 2.862 1.652 5.372) 6.307 9.545 ( -19.718 -11.384 -14.222) 26.845 11.450 ( -9.355 -5.401 -3.686) 11.414 12.261 ( -9.717 -5.610 -0.642) 11.239 13.024 ( -4.304 -2.485 -3.381) 6.011 13.945 ( -0.863 -0.498 0.870) 1.323 15.730 ( 2.440 1.409 2.644) 3.864 17.104 ( -3.222 -1.860 0.323) 3.734 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 6.562 3.789 1.137) 7.662 3.374 ( 19.346 11.170 -2.029) 22.431 3.665 ( 2.634 1.521 -1.134) 3.246 4.288 ( -7.167 -4.138 -19.328) 21.025 5.370 ( 6.200 3.579 6.204) 9.473 5.656 ( 6.571 3.794 14.864) 16.689 6.377 ( -1.321 -0.763 -0.566) 1.627 6.542 ( -0.789 -0.455 -1.979) 2.179 7.095 ( 5.231 3.020 -5.574) 8.219 8.816 ( -8.039 -4.642 -1.493) 9.402 9.164 ( -10.233 -5.908 8.688) 14.667 9.535 ( 1.218 0.703 5.264) 5.448 11.256 ( -5.862 -3.384 -3.491) 7.616 12.067 ( -6.334 -3.657 -2.121) 7.615 12.930 ( -2.829 -1.633 -3.209) 4.580 13.932 ( -0.435 -0.251 0.582) 0.769 15.776 ( 1.194 0.689 0.747) 1.568 17.024 ( -3.521 -2.033 0.633) 4.114 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 1.442 0.833 -0.566) 1.759 3.715 ( 1.739 1.004 0.528) 2.077 3.790 ( 16.786 9.691 -6.419) 20.418 3.997 ( -11.286 -6.516 -15.907) 20.564 5.468 ( -0.634 -0.366 1.846) 1.986 5.720 ( -4.532 -2.617 5.281) 7.435 6.292 ( -2.611 -1.507 -7.664) 8.236 6.522 ( -0.188 -0.108 -2.026) 2.037 7.183 ( 3.649 2.107 -4.485) 6.154 8.716 ( -1.016 -0.587 3.329) 3.530 9.136 ( 2.957 1.707 23.707) 23.952 9.561 ( -0.583 -0.336 4.631) 4.679 11.159 ( -1.358 -0.784 -2.955) 3.345 11.955 ( -2.346 -1.355 -3.307) 4.275 12.865 ( -1.532 -0.884 -4.536) 4.868 13.926 ( -0.287 -0.165 0.314) 0.456 15.798 ( 0.627 0.362 -0.085) 0.729 16.951 ( -2.597 -1.500 -0.150) 3.003 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.861 ( -3.143 -1.815 -1.414) 3.895 3.626 ( -14.019 -8.094 -14.754) 21.903 3.746 ( 0.414 0.239 1.572) 1.644 4.144 ( 13.700 7.909 -7.916) 17.689 5.308 ( -9.004 -5.198 -11.313) 15.365 5.588 ( -6.265 -3.617 -0.125) 7.236 6.222 ( -3.468 -2.002 0.594) 4.049 6.522 ( 0.824 0.476 -2.039) 2.251 7.236 ( 2.222 1.283 -3.165) 4.075 8.737 ( 0.219 0.126 9.481) 9.484 9.446 ( 14.398 8.313 26.995) 31.704 9.539 ( -2.583 -1.491 3.779) 4.814 11.176 ( 3.656 2.111 -2.257) 4.787 11.938 ( 1.987 1.147 -3.833) 4.467 12.832 ( 0.514 0.297 -6.155) 6.183 13.919 ( -0.343 -0.198 0.081) 0.405 15.807 ( 0.108 0.062 0.262) 0.290 16.905 ( -1.019 -0.588 -1.818) 2.166 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -6.937 -4.005 -0.814) 8.051 3.229 ( -15.959 -9.214 -10.586) 21.252 3.737 ( -1.747 -1.008 1.462) 2.491 4.358 ( 6.347 3.665 -11.599) 13.720 5.138 ( -0.680 -0.393 -8.579) 8.615 5.407 ( -8.321 -4.804 -2.259) 9.870 6.102 ( -7.304 -4.217 4.339) 9.485 6.546 ( 1.745 1.008 -1.864) 2.745 7.275 ( 1.835 1.060 -0.319) 2.143 8.779 ( 0.407 0.235 9.012) 9.024 9.466 ( -4.503 -2.600 2.639) 5.831 9.922 ( 17.170 9.913 22.925) 30.309 11.311 ( 8.254 4.766 -1.346) 9.626 12.021 ( 6.149 3.550 -3.204) 7.790 12.860 ( 4.227 2.441 -6.826) 8.392 13.911 ( -0.295 -0.170 -0.161) 0.376 15.800 ( -1.096 -0.633 1.845) 2.237 16.891 ( 0.750 0.433 -4.262) 4.349 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -10.459 -6.039 1.082) 12.126 2.802 ( -18.028 -10.408 -5.955) 21.652 3.670 ( -4.263 -2.461 0.508) 4.949 4.293 ( -9.717 -5.610 -10.952) 15.679 5.085 ( -7.547 -4.357 -3.041) 9.229 5.345 ( 6.146 3.548 2.398) 7.491 5.978 ( -0.947 -0.547 2.128) 2.393 6.586 ( 2.002 1.156 -1.303) 2.654 7.326 ( 1.969 1.137 4.745) 5.262 8.816 ( 0.783 0.452 3.560) 3.673 9.351 ( -5.730 -3.308 1.027) 6.696 10.352 ( 12.917 7.457 13.841) 20.348 11.543 ( 11.439 6.604 -0.161) 13.209 12.207 ( 10.489 6.056 -0.885) 12.144 12.994 ( 9.182 5.301 -6.047) 12.206 13.907 ( 0.065 0.038 -0.464) 0.471 15.761 ( -3.438 -1.985 4.605) 6.080 16.907 ( 2.224 1.284 -7.289) 7.729 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( -14.292 -8.252 4.046) 16.992 2.341 ( -20.283 -11.710 -0.661) 23.430 3.544 ( -6.272 -3.621 -0.819) 7.288 3.828 ( -26.230 -15.144 -6.432) 30.964 4.793 ( -15.998 -9.237 -6.090) 19.451 5.464 ( 0.667 0.385 10.618) 10.646 6.241 ( 21.714 12.537 -1.358) 25.110 6.624 ( 1.378 0.796 -0.328) 1.624 7.421 ( 4.509 2.603 13.131) 14.126 8.842 ( 1.719 0.992 -4.594) 5.005 9.214 ( -5.764 -3.328 -0.954) 6.724 10.596 ( 5.037 2.908 4.049) 7.087 11.831 ( 12.604 7.277 1.151) 14.600 12.508 ( 14.904 8.605 1.649) 17.289 13.240 ( 13.068 7.545 -4.814) 15.840 13.913 ( 0.655 0.378 -0.853) 1.140 15.665 ( -6.710 -3.874 8.245) 11.315 16.937 ( 2.811 1.623 -10.536) 11.025 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -0.000 24.063 19.118) 30.734 1.203 ( -0.000 21.584 22.251) 30.999 1.683 ( -0.000 22.349 37.723) 43.846 3.061 ( 0.000 3.107 -4.917) 5.816 3.256 ( 0.000 18.762 -2.867) 18.979 5.439 ( 0.000 0.049 -11.057) 11.057 6.656 ( -0.000 0.918 2.065) 2.260 6.664 ( 0.000 3.595 -4.899) 6.077 8.792 ( 0.000 -9.378 -6.339) 11.320 8.891 ( 0.000 0.457 -4.030) 4.056 10.049 ( -0.000 -37.419 19.986) 42.422 10.444 ( -0.000 -21.705 18.959) 28.819 12.559 ( -0.000 -4.344 2.669) 5.098 13.302 ( 0.000 7.895 -20.473) 21.943 13.943 ( -0.000 -7.060 -2.962) 7.656 13.973 ( 0.000 -1.671 -1.392) 2.174 14.688 ( 0.000 44.525 -4.189) 44.721 16.761 ( 0.000 -0.667 -6.765) 6.798 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 4.216 27.909 12.020) 30.678 1.420 ( -0.055 17.078 23.377) 28.951 2.385 ( 30.276 23.518 21.658) 44.032 3.161 ( 7.020 5.400 -5.033) 10.187 3.534 ( 8.580 22.709 -1.430) 24.317 5.396 ( -1.026 1.102 -10.738) 10.843 6.635 ( -2.692 0.576 1.015) 2.934 6.692 ( 0.815 2.483 -6.451) 6.960 8.136 ( -42.169 -11.692 -1.109) 43.774 9.005 ( 6.704 -0.841 -1.103) 6.846 9.759 ( 2.362 -30.416 20.786) 36.916 10.489 ( 5.218 0.104 1.145) 5.343 12.409 ( -9.632 -5.223 1.264) 11.030 13.229 ( -3.192 -7.902 -11.333) 14.180 13.716 ( -10.912 -9.820 -4.839) 15.457 13.981 ( 2.115 -2.517 -0.977) 3.430 15.175 ( 6.750 28.655 4.327) 29.756 16.841 ( 12.303 -2.895 -10.492) 16.426 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 9.529 17.977 15.057) 25.311 1.831 ( 9.003 23.041 8.962) 26.311 3.162 ( 24.209 11.315 6.449) 27.489 3.381 ( 13.760 14.232 -3.401) 20.086 3.991 ( 16.946 21.056 2.920) 27.185 5.356 ( -1.416 2.261 -8.541) 8.948 6.574 ( -3.067 -3.270 -0.007) 4.483 6.710 ( 0.796 3.245 -7.882) 8.561 7.340 ( -34.696 -6.907 4.424) 35.652 9.109 ( 7.572 -4.398 2.831) 9.203 9.599 ( -1.040 -16.390 12.761) 20.798 10.491 ( -4.309 -1.999 -7.694) 9.042 12.159 ( -12.497 -5.381 -0.002) 13.606 12.975 ( -10.406 -11.958 -2.959) 16.126 13.403 ( -8.681 -10.439 -7.708) 15.613 13.988 ( 1.222 -1.500 -0.276) 1.954 15.500 ( 2.110 16.652 9.289) 19.184 16.985 ( 11.413 -5.139 -8.864) 15.337 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 11.925 19.071 7.466) 23.700 2.249 ( 12.744 16.966 7.117) 22.381 3.432 ( 6.365 5.234 -2.538) 8.622 3.920 ( 22.500 13.599 -9.440) 27.934 4.544 ( 19.703 17.587 11.036) 28.623 5.335 ( -1.120 2.690 -5.021) 5.806 6.457 ( -4.336 -6.077 1.660) 7.648 6.699 ( -5.429 3.372 -4.148) 7.619 6.908 ( -9.965 -0.396 5.421) 11.351 9.167 ( 4.956 -12.195 7.897) 15.351 9.497 ( -2.090 -3.019 6.542) 7.502 10.224 ( -15.815 -6.878 -15.544) 23.217 11.872 ( -13.820 -4.675 -0.942) 14.620 12.646 ( -11.818 -11.502 0.760) 16.509 13.167 ( -4.146 -9.090 -6.895) 12.139 13.993 ( -0.128 0.902 0.148) 0.923 15.675 ( -0.477 9.697 8.119) 12.656 17.057 ( 6.807 -7.549 -4.903) 11.285 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 6.563 17.629 4.100) 19.253 2.699 ( 17.966 13.362 3.404) 22.647 3.562 ( 3.809 5.116 -2.759) 6.949 4.273 ( 10.812 7.275 -18.455) 22.592 5.061 ( 14.415 11.912 13.690) 23.175 5.359 ( 3.535 3.167 1.862) 5.098 6.384 ( -0.957 -1.163 8.266) 8.402 6.597 ( -5.511 -0.440 1.760) 5.802 6.903 ( 3.925 0.611 -1.840) 4.378 9.078 ( -2.309 -13.950 8.724) 16.615 9.504 ( -0.946 1.794 -0.549) 2.101 9.754 ( -19.004 -7.546 -12.760) 24.102 11.588 ( -12.649 -3.562 -1.877) 13.275 12.350 ( -10.124 -9.463 0.814) 13.882 13.015 ( -1.672 -7.186 -4.669) 8.731 14.005 ( -1.656 4.340 0.297) 4.655 15.751 ( -1.267 4.388 5.079) 6.830 17.045 ( 3.206 -9.225 -1.916) 9.952 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.807 ( 2.827 13.818 2.409) 14.309 3.146 ( 17.880 10.989 -1.284) 21.026 3.660 ( 2.495 5.513 -1.778) 6.307 4.318 ( -3.413 3.911 -20.847) 21.483 5.323 ( 5.644 4.557 7.099) 10.150 5.601 ( 10.927 4.850 14.387) 18.706 6.394 ( -1.430 -1.330 2.138) 2.895 6.515 ( -1.941 -4.108 0.919) 4.635 6.992 ( 6.270 -0.265 -1.787) 6.525 8.891 ( -7.296 -7.728 0.213) 10.630 9.259 ( -9.911 -8.992 -5.239) 14.372 9.632 ( -1.703 5.671 7.936) 9.901 11.360 ( -9.438 -0.940 -2.596) 9.833 12.102 ( -7.418 -8.881 -0.291) 11.575 12.918 ( -0.820 -5.215 -4.023) 6.637 14.025 ( -3.417 8.012 0.297) 8.715 15.768 ( -0.522 0.105 2.243) 2.306 16.982 ( 1.500 -9.808 -0.419) 9.931 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -1.552 9.930 0.241) 10.054 3.506 ( 14.101 3.244 -4.910) 15.280 3.779 ( 4.056 10.426 -1.190) 11.250 4.138 ( -12.318 4.157 -17.932) 22.149 5.464 ( 3.176 1.529 5.173) 6.259 5.778 ( -0.802 -1.709 10.323) 10.494 6.285 ( -3.829 -3.593 -10.087) 11.372 6.451 ( 1.199 -7.196 0.064) 7.295 7.090 ( 5.938 -1.394 -1.169) 6.210 8.759 ( -2.234 0.761 2.140) 3.186 9.126 ( 1.372 -5.295 10.795) 12.101 9.689 ( -2.800 6.834 8.911) 11.573 11.227 ( -5.802 3.394 -2.670) 7.233 11.914 ( -2.747 -9.341 -1.568) 9.862 12.845 ( -0.554 -3.786 -5.069) 6.351 14.045 ( -5.363 10.750 0.260) 12.016 15.762 ( 1.149 -2.729 0.425) 2.991 16.906 ( 1.367 -9.484 -0.175) 9.584 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -5.536 6.250 -1.257) 8.444 3.620 ( 1.038 -3.634 -7.615) 8.501 3.882 ( -10.029 3.042 -9.050) 13.847 4.038 ( 6.410 16.245 -6.313) 18.570 5.410 ( -10.426 -2.841 -8.174) 13.550 5.643 ( -5.423 -4.758 -0.856) 7.265 6.217 ( 0.705 -4.143 0.510) 4.233 6.415 ( 3.934 -8.546 -0.050) 9.408 7.156 ( 4.606 -3.017 -0.977) 5.592 8.798 ( -0.311 3.984 8.119) 9.049 9.266 ( 11.834 -1.309 14.337) 18.636 9.742 ( -3.624 9.110 12.050) 15.535 11.207 ( -2.315 8.178 -1.951) 8.720 11.817 ( 3.575 -9.337 -2.687) 10.353 12.787 ( 0.440 -2.843 -6.789) 7.373 14.052 ( -6.951 11.591 0.197) 13.517 15.763 ( 2.578 -3.552 -0.076) 4.390 16.843 ( 2.220 -8.632 -0.920) 8.960 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -8.716 3.692 -1.097) 9.529 3.400 ( -15.041 -2.892 -12.104) 19.522 3.796 ( -3.335 2.373 0.273) 4.102 4.276 ( 6.062 11.537 -10.765) 16.904 5.162 ( -6.518 1.332 -13.876) 15.388 5.497 ( -7.377 -5.160 0.436) 9.013 6.154 ( -2.999 -7.750 5.860) 10.168 6.417 ( 6.192 -8.551 -0.387) 10.565 7.191 ( 4.351 -4.946 0.396) 6.600 8.857 ( -1.479 4.807 8.194) 9.614 9.465 ( 4.455 -2.024 5.567) 7.412 9.915 ( 6.651 12.257 19.225) 23.750 11.293 ( 1.394 10.872 -0.849) 10.994 11.840 ( 9.802 -7.178 -2.818) 12.471 12.767 ( 3.397 -1.839 -7.976) 8.862 14.037 ( -7.422 10.413 0.064) 12.787 15.779 ( 2.455 -2.515 0.924) 3.634 16.805 ( 3.555 -7.481 -2.568) 8.672 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -11.855 2.499 0.592) 12.130 3.022 ( -19.280 -4.050 -8.351) 21.398 3.745 ( -4.730 0.426 0.415) 4.767 4.360 ( -3.134 5.526 -12.786) 14.277 5.161 ( -0.638 3.937 -0.065) 3.989 5.308 ( -3.149 -0.518 -4.374) 5.414 6.012 ( -4.590 -8.291 6.172) 11.309 6.455 ( 7.618 -7.624 -0.814) 10.809 7.220 ( 5.619 -7.569 3.169) 9.945 8.898 ( -2.955 6.018 4.848) 8.274 9.440 ( -4.847 -1.301 2.034) 5.415 10.275 ( 11.843 9.253 13.900) 20.472 11.463 ( 5.990 9.953 -0.042) 11.617 11.996 ( 14.206 -2.561 -0.803) 14.457 12.831 ( 8.674 -0.261 -7.822) 11.683 14.007 ( -6.471 7.992 -0.160) 10.284 15.795 ( 0.033 -0.902 3.531) 3.644 16.799 ( 4.941 -5.833 -5.107) 9.193 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -16.916 1.506 3.249) 17.291 2.594 ( -19.889 -6.574 -3.574) 21.250 3.632 ( -7.395 -1.930 -0.615) 7.668 4.144 ( -19.948 -0.949 -8.402) 21.666 4.952 ( -13.657 -5.381 -5.184) 15.568 5.475 ( 4.122 1.536 11.731) 12.529 6.028 ( 13.107 6.771 -0.530) 14.762 6.518 ( 7.515 -5.781 -0.998) 9.533 7.267 ( 8.895 -10.796 7.245) 15.753 8.900 ( -4.696 5.734 -0.300) 7.417 9.327 ( -6.858 0.381 -0.003) 6.868 10.550 ( 7.063 4.552 4.235) 9.409 11.700 ( 10.423 7.697 0.619) 12.971 12.273 ( 17.377 1.405 2.243) 17.577 13.015 ( 14.220 1.514 -6.865) 15.862 13.976 ( -4.478 5.344 -0.481) 6.989 15.773 ( -4.233 -0.504 7.349) 8.496 16.823 ( 5.588 -3.071 -8.134) 10.336 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.000 21.862 16.408) 27.334 1.757 ( -0.000 19.257 14.421) 24.058 2.441 ( -0.000 31.572 17.367) 36.034 3.129 ( 0.000 7.115 -5.230) 8.830 3.719 ( 0.000 26.066 -0.694) 26.075 5.393 ( 0.000 3.686 -10.139) 10.788 6.675 ( -0.000 -0.441 1.031) 1.121 6.681 ( 0.000 1.645 -5.949) 6.172 8.472 ( 0.000 -16.242 -12.765) 20.658 8.920 ( 0.000 4.898 -1.893) 5.251 9.374 ( -0.000 -37.405 29.827) 47.841 10.465 ( 0.000 4.415 -0.940) 4.514 12.417 ( -0.000 -10.958 1.067) 11.010 13.139 ( 0.000 -8.486 -8.589) 12.074 13.688 ( -0.000 -14.650 -5.546) 15.664 13.935 ( -0.000 -1.134 -0.500) 1.239 15.463 ( 0.000 30.177 7.035) 30.986 16.634 ( 0.000 -4.659 -10.700) 11.670 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.643 16.670 15.876) 23.029 2.024 ( 3.346 22.850 9.402) 24.934 2.973 ( 16.586 23.818 5.806) 29.599 3.275 ( 9.091 9.726 -5.389) 14.362 4.041 ( 6.778 25.095 2.815) 26.146 5.400 ( -1.608 6.707 -7.913) 10.496 6.623 ( -4.252 -2.226 0.233) 4.805 6.680 ( 1.222 -0.759 -4.760) 4.973 7.897 ( -32.282 -12.001 -2.000) 34.499 8.959 ( 2.991 -4.778 3.823) 6.811 9.337 ( 12.284 -18.780 11.482) 25.208 10.503 ( -0.558 1.460 -5.144) 5.376 12.247 ( -5.337 -11.265 0.256) 12.468 12.979 ( -4.952 -10.855 -3.306) 12.380 13.410 ( -8.965 -15.946 -6.694) 19.479 13.941 ( 1.712 -0.610 -0.617) 1.920 15.747 ( -2.114 20.811 12.343) 24.288 16.663 ( 11.676 -5.924 -11.815) 17.635 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 8.422 16.385 10.469) 21.190 2.361 ( 5.131 21.901 7.566) 23.732 3.353 ( 8.401 8.289 -2.587) 12.082 3.651 ( 19.353 14.980 -9.536) 26.266 4.483 ( 13.702 21.359 9.170) 26.982 5.413 ( -3.426 8.611 -5.120) 10.588 6.500 ( -5.417 -3.725 1.430) 6.728 6.676 ( 2.570 -4.424 -2.504) 5.696 7.298 ( -26.304 -2.974 6.956) 27.370 8.981 ( 5.581 -9.532 5.091) 12.162 9.392 ( 6.724 -7.610 1.826) 10.318 10.362 ( -11.456 -3.899 -12.513) 17.407 12.028 ( -8.639 -8.142 0.876) 11.904 12.724 ( -9.857 -11.665 2.086) 15.414 13.095 ( -4.884 -14.232 -7.782) 16.939 13.978 ( 2.416 1.219 -0.788) 2.818 15.894 ( -5.529 13.465 12.073) 18.912 16.766 ( 11.822 -9.453 -8.771) 17.494 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 13.237 14.300 4.979) 20.112 2.691 ( 4.311 21.564 6.212) 22.851 3.522 ( 5.488 5.139 -4.280) 8.652 4.058 ( 16.138 10.359 -15.179) 24.457 4.981 ( 15.783 15.533 12.944) 25.650 5.411 ( -4.305 7.657 -2.422) 9.112 6.416 ( -1.855 -1.769 5.812) 6.352 6.652 ( 1.432 -8.203 3.125) 8.894 6.970 ( -13.321 1.254 7.631) 15.403 8.979 ( 2.354 -8.208 3.653) 9.288 9.441 ( 5.180 -4.156 -3.200) 7.372 9.962 ( -19.059 -7.167 -16.055) 25.930 11.777 ( -12.206 -5.379 1.463) 13.418 12.452 ( -10.545 -8.123 3.219) 13.695 12.903 ( 0.713 -12.162 -5.833) 13.508 14.046 ( 2.278 4.582 -0.772) 5.175 15.921 ( -7.642 7.878 8.605) 13.947 16.807 ( 8.546 -13.087 -4.793) 16.349 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 7.561 12.352 5.279) 15.415 3.002 ( 7.842 18.519 -1.300) 20.153 3.644 ( 4.965 4.871 -3.665) 7.862 4.302 ( 6.152 9.461 -17.205) 20.576 5.351 ( 2.202 8.594 8.411) 12.225 5.483 ( 10.139 4.916 7.503) 13.537 6.395 ( -0.822 -5.104 4.085) 6.589 6.582 ( -4.786 -3.565 8.580) 10.452 6.885 ( 1.139 -2.848 4.491) 5.439 8.920 ( -3.044 -3.817 0.531) 4.911 9.321 ( -9.705 -8.049 -17.030) 21.189 9.672 ( -0.457 -1.576 1.262) 2.070 11.532 ( -11.007 -1.995 1.444) 11.279 12.197 ( -11.649 -5.989 2.396) 13.315 12.815 ( 2.787 -9.022 -4.384) 10.411 14.144 ( 1.054 9.286 -0.633) 9.367 15.858 ( -7.621 2.359 4.824) 9.322 16.777 ( 6.221 -15.262 -2.054) 16.609 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -2.842 13.615 2.225) 14.085 3.303 ( 12.125 6.396 -5.246) 14.678 3.797 ( 5.352 10.059 -2.643) 11.696 4.343 ( -6.563 12.098 -15.943) 21.062 5.448 ( 2.137 2.771 6.590) 7.461 5.741 ( 8.145 -1.098 11.726) 14.319 6.287 ( -3.941 -7.744 -4.741) 9.899 6.438 ( -8.603 -4.706 2.817) 10.203 6.941 ( 6.794 -5.883 5.229) 10.398 8.822 ( -3.730 1.076 0.161) 3.885 9.105 ( -1.998 -2.175 -5.240) 6.015 9.730 ( 4.551 -1.156 4.119) 6.246 11.384 ( -6.928 3.681 1.320) 7.955 11.941 ( -10.693 -6.649 1.773) 12.716 12.765 ( 1.873 -6.301 -5.107) 8.324 14.257 ( -2.103 14.386 -0.321) 14.542 15.754 ( -4.629 -2.954 1.835) 5.790 16.714 ( 5.385 -15.869 -0.713) 16.773 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -6.404 8.114 -1.645) 10.467 3.510 ( 7.931 2.605 -3.905) 9.216 3.970 ( 0.559 10.952 -8.142) 13.659 4.266 ( -10.353 17.014 -9.178) 21.929 5.500 ( -1.640 -0.797 2.747) 3.297 5.711 ( -9.202 -6.661 -2.321) 11.595 6.128 ( 0.669 -6.199 -6.788) 9.217 6.299 ( -1.021 -9.206 7.845) 12.138 7.006 ( 6.436 -7.978 4.012) 11.007 8.865 ( 1.481 5.632 6.077) 8.417 9.146 ( 6.321 3.244 3.090) 7.748 9.812 ( 4.489 -1.372 4.964) 6.831 11.378 ( -3.018 11.094 1.764) 11.632 11.715 ( -6.304 -8.607 1.249) 10.741 12.710 ( 0.941 -5.177 -6.933) 8.703 14.341 ( -7.222 17.474 0.066) 18.908 15.673 ( 0.799 -5.964 0.115) 6.018 16.648 ( 5.607 -15.401 -0.465) 16.397 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -7.950 4.309 -2.036) 9.269 3.580 ( -4.592 5.378 -5.290) 8.831 3.902 ( -8.753 3.957 -7.915) 12.447 4.351 ( -0.944 19.051 -7.473) 20.486 5.298 ( -12.447 1.697 -14.500) 19.185 5.549 ( -3.633 -5.042 2.291) 6.624 6.077 ( 2.217 -11.431 2.843) 11.986 6.246 ( 2.300 -9.398 7.667) 12.345 7.035 ( 5.670 -9.863 3.873) 12.018 8.961 ( -0.395 7.595 3.655) 8.438 9.366 ( 8.930 3.973 6.227) 11.589 9.920 ( 7.708 -0.010 6.840) 10.305 11.490 ( -5.491 18.240 2.686) 19.237 11.586 ( 5.870 -10.897 1.001) 12.418 12.653 ( 2.118 -5.110 -8.492) 10.135 14.346 ( -11.501 15.685 0.139) 19.450 15.675 ( 5.238 -4.055 0.171) 6.626 16.600 ( 6.431 -14.209 -1.103) 15.636 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -9.359 2.553 -0.621) 9.721 3.375 ( -21.741 7.050 -6.922) 23.881 3.812 ( -2.528 -0.611 -1.903) 3.223 4.465 ( -3.061 14.789 -11.770) 19.148 5.206 ( 0.559 10.033 -6.058) 11.733 5.399 ( -8.541 -4.535 0.568) 9.687 5.974 ( -0.779 -13.506 5.396) 14.565 6.241 ( 5.361 -9.316 5.627) 12.132 7.038 ( 5.449 -11.418 4.883) 13.561 9.035 ( -2.074 9.311 1.281) 9.624 9.478 ( 0.101 -0.772 1.851) 2.008 10.157 ( 13.905 2.337 5.752) 15.228 11.506 ( 1.593 0.152 1.488) 2.185 11.767 ( 8.420 9.607 3.674) 13.292 12.644 ( 6.521 -4.463 -8.594) 11.675 14.268 ( -11.934 10.443 -0.197) 15.859 15.759 ( 4.932 0.510 2.273) 5.455 16.583 ( 7.690 -11.831 -2.668) 14.361 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -11.660 1.038 0.527) 11.718 2.980 ( -26.351 3.761 -2.418) 26.728 3.733 ( -5.325 -1.356 -1.367) 5.662 4.428 ( -11.560 9.890 -11.869) 19.296 5.141 ( -13.806 -3.664 -0.269) 14.286 5.446 ( 7.596 7.551 8.472) 13.656 5.891 ( 5.789 -3.295 1.011) 6.738 6.288 ( 8.378 -8.380 3.192) 12.272 7.034 ( 5.957 -12.918 6.355) 15.580 9.068 ( -5.392 8.492 -1.380) 10.154 9.418 ( -3.828 -1.705 -0.722) 4.252 10.418 ( 12.206 -0.193 -1.623) 12.315 11.606 ( 8.410 0.823 1.841) 8.648 12.040 ( 10.877 7.286 4.944) 13.995 12.752 ( 12.572 -1.405 -7.214) 14.563 14.156 ( -9.442 5.547 -0.611) 10.968 15.839 ( 0.291 1.658 5.740) 5.981 16.622 ( 9.106 -6.317 -4.794) 12.075 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -0.000 15.717 14.513) 21.393 2.175 ( -0.000 14.288 7.707) 16.234 3.130 ( 0.000 28.331 -0.762) 28.341 3.268 ( 0.000 9.562 -4.187) 10.438 4.245 ( 0.000 24.241 3.323) 24.468 5.486 ( 0.000 11.685 -5.723) 13.012 6.617 ( -0.000 -6.612 -1.545) 6.790 6.646 ( -0.000 -2.546 -0.742) 2.652 7.981 ( 0.000 -21.782 -11.100) 24.447 8.977 ( -0.000 -18.774 17.598) 25.732 9.069 ( 0.000 9.582 2.029) 9.795 10.513 ( 0.000 1.835 -4.590) 4.943 12.137 ( -0.000 -16.010 -1.619) 16.092 12.910 ( -0.000 -10.088 -1.179) 10.156 13.290 ( -0.000 -19.364 -7.852) 20.895 13.922 ( -0.000 -0.386 0.761) 0.854 16.009 ( -0.000 13.959 17.056) 22.040 16.467 ( 0.000 -0.875 -14.895) 14.920 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 1.464 13.872 9.218) 16.720 2.459 ( 8.229 14.235 8.357) 18.444 3.349 ( 2.158 12.538 -4.603) 13.530 3.501 ( 11.625 15.789 -8.042) 21.192 4.557 ( 6.386 22.348 6.835) 24.226 5.581 ( -3.207 14.894 -3.512) 15.635 6.525 ( 0.331 -12.112 1.928) 12.269 6.576 ( -2.656 -4.748 0.335) 5.451 7.609 ( -13.659 -13.915 -2.784) 19.697 8.861 ( 0.071 -6.653 6.661) 9.415 9.245 ( 5.183 3.512 2.171) 6.626 10.452 ( -6.301 -1.799 -8.888) 11.043 11.972 ( 0.767 -14.769 -1.279) 14.844 12.761 ( -5.629 -10.531 3.411) 12.418 12.998 ( -5.486 -18.433 -8.893) 21.189 13.945 ( 2.353 0.952 0.267) 2.552 16.137 ( -1.853 4.475 15.611) 16.345 16.495 ( 5.387 1.229 -11.821) 13.048 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 7.812 13.191 5.649) 16.338 2.798 ( 9.777 15.763 7.469) 19.997 3.472 ( 3.032 6.446 -6.947) 9.951 3.843 ( 15.087 11.148 -10.467) 21.481 4.947 ( 10.654 17.794 8.965) 22.594 5.629 ( -7.445 14.363 -2.395) 16.354 6.408 ( 1.176 -15.183 4.714) 15.941 6.509 ( 1.021 -5.886 6.978) 9.186 7.273 ( -14.452 -3.968 4.478) 15.641 8.870 ( 3.712 -1.800 -0.676) 4.181 9.324 ( 1.850 0.438 -1.381) 2.350 10.157 ( -16.829 -6.389 -15.311) 23.632 11.845 ( -2.319 -10.021 0.880) 10.324 12.548 ( -7.372 -8.833 6.668) 13.298 12.734 ( -1.287 -15.245 -8.076) 17.300 14.027 ( 4.160 4.008 -0.621) 5.810 16.162 ( -4.663 2.104 11.405) 12.499 16.530 ( 4.315 -5.556 -7.119) 10.008 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 10.476 10.392 2.709) 15.003 3.152 ( 5.954 19.177 5.175) 20.736 3.554 ( 5.818 2.037 -7.395) 9.628 4.173 ( 13.756 10.072 -10.118) 19.825 5.322 ( 11.308 10.224 8.930) 17.668 5.603 ( -9.119 11.253 -0.296) 14.487 6.292 ( 3.152 -19.272 7.583) 20.949 6.555 ( 3.895 -1.888 11.285) 12.087 7.036 ( -12.776 -0.230 6.327) 14.259 8.922 ( 2.076 2.664 -4.458) 5.593 9.287 ( -3.337 -5.637 -10.300) 12.207 9.738 ( -13.071 -5.120 -10.744) 17.678 11.675 ( -7.632 -5.613 2.932) 9.917 12.365 ( -10.345 -3.901 3.447) 11.581 12.608 ( 6.133 -12.795 -3.544) 14.625 14.168 ( 5.244 8.105 -1.072) 9.713 16.087 ( -10.003 1.857 7.578) 12.686 16.490 ( 5.021 -13.747 -4.003) 15.173 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 10.890 7.229 0.832) 13.097 3.333 ( -3.887 11.327 -2.259) 12.186 3.752 ( 11.419 10.414 -2.380) 15.637 4.435 ( 6.309 12.627 -10.340) 17.497 5.542 ( -4.956 5.472 5.081) 8.962 5.606 ( 7.576 1.370 6.889) 10.331 6.183 ( 2.652 -17.230 5.872) 18.395 6.594 ( -5.168 -1.391 5.503) 7.676 6.866 ( -5.567 -3.491 7.597) 10.045 8.928 ( -6.005 4.476 -4.206) 8.590 9.076 ( -1.036 -3.408 -14.003) 14.449 9.613 ( 2.761 -4.115 -1.387) 5.146 11.532 ( -6.230 0.076 5.103) 8.053 12.121 ( -12.673 -4.337 0.794) 13.418 12.615 ( 5.639 -7.166 -2.516) 9.460 14.366 ( 5.173 13.023 -1.054) 14.052 15.908 ( -12.886 -0.552 3.874) 13.467 16.416 ( 6.649 -18.531 -1.671) 19.758 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( -4.981 4.404 -5.537) 8.652 3.388 ( 8.943 5.391 1.537) 10.555 4.049 ( 5.419 16.741 -4.303) 18.115 4.560 ( -4.802 16.850 -9.610) 19.983 5.516 ( -1.753 -0.762 6.077) 6.371 5.706 ( 2.307 -8.053 6.320) 10.494 6.058 ( -1.733 -9.821 -6.827) 12.086 6.371 ( -13.134 -4.551 5.445) 14.929 6.834 ( 3.690 -8.764 7.370) 12.030 8.902 ( 1.679 4.539 2.384) 5.395 9.111 ( 3.851 6.920 -5.940) 9.900 9.644 ( 7.090 -7.211 -2.089) 10.326 11.498 ( -2.749 2.929 7.633) 8.625 11.871 ( -11.462 -0.774 -0.390) 11.495 12.609 ( 1.824 -5.193 -4.532) 7.130 14.588 ( 1.375 18.245 -0.541) 18.305 15.682 ( -9.476 -4.838 1.110) 10.697 16.343 ( 7.840 -19.833 -0.453) 21.332 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -6.535 2.754 -3.001) 7.700 3.579 ( 6.954 3.957 -0.479) 8.015 4.159 ( -10.325 14.277 -9.682) 20.105 4.602 ( -6.118 19.737 -5.967) 21.508 5.478 ( -6.997 -0.932 -2.768) 7.582 5.551 ( -4.952 -6.186 -1.678) 8.099 5.922 ( 1.084 -10.389 -3.321) 10.960 6.206 ( -3.453 -7.780 14.336) 16.673 6.836 ( 5.483 -11.583 5.863) 14.093 9.032 ( 2.899 8.143 0.573) 8.663 9.295 ( 7.749 7.905 3.114) 11.499 9.701 ( 10.566 -8.481 -3.740) 14.056 11.468 ( -2.222 -8.045 6.661) 10.678 11.792 ( -4.892 16.124 2.169) 16.989 12.542 ( -0.065 -6.392 -6.817) 9.345 14.720 ( -9.657 18.692 0.091) 21.039 15.551 ( 2.106 -4.810 -0.200) 5.255 16.291 ( 8.910 -19.093 -0.199) 21.070 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( -7.763 2.281 -0.670) 8.119 3.700 ( 1.346 4.929 -1.190) 5.246 3.937 ( -20.586 6.509 -8.692) 23.274 4.685 ( -5.755 18.738 -8.379) 21.318 5.319 ( -5.149 8.218 -8.065) 12.613 5.473 ( -3.485 -4.213 3.545) 6.517 5.826 ( 1.846 -14.416 2.731) 14.788 6.150 ( -0.331 -7.176 13.824) 15.580 6.835 ( 5.889 -12.103 5.436) 14.516 9.155 ( 0.377 10.757 -1.745) 10.904 9.446 ( 2.788 -1.294 0.860) 3.191 9.869 ( 16.837 -3.660 -3.825) 17.650 11.377 ( 2.149 -9.501 4.396) 10.687 11.962 ( -2.179 21.516 6.427) 22.561 12.455 ( 3.315 -8.655 -8.188) 12.367 14.620 ( -16.245 9.685 -0.337) 18.916 15.661 ( 8.663 3.463 1.168) 9.402 16.275 ( 10.295 -16.030 -0.848) 19.070 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -9.715 1.953 1.036) 9.964 3.511 ( -28.012 6.320 -2.816) 28.854 3.760 ( -0.001 -1.037 -3.198) 3.362 4.688 ( -9.165 14.504 -11.812) 20.830 5.328 ( -9.925 -3.371 2.744) 10.835 5.441 ( 5.430 8.737 6.262) 12.042 5.746 ( 4.555 -6.711 0.542) 8.129 6.146 ( 2.108 -5.579 11.834) 13.252 6.837 ( 5.391 -10.624 5.162) 12.984 9.231 ( -3.743 8.655 -2.633) 9.791 9.417 ( 0.026 -4.173 -2.477) 4.853 10.106 ( 16.277 -5.504 -9.709) 19.736 11.417 ( 8.948 -4.928 4.212) 11.050 12.111 ( -2.642 9.786 6.651) 12.124 12.501 ( 11.486 -0.818 -6.052) 13.009 14.407 ( -14.135 3.379 -0.896) 14.561 15.836 ( 4.377 2.662 3.995) 6.497 16.351 ( 12.747 -6.248 -2.104) 14.351 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.000 10.225 3.442) 10.789 2.506 ( -0.000 11.104 11.645) 16.091 3.440 ( 0.000 9.378 -3.057) 9.864 3.522 ( 0.000 14.700 -11.515) 18.673 4.757 ( 0.000 22.729 7.004) 23.784 5.774 ( 0.000 18.046 -1.930) 18.149 6.346 ( -0.000 -22.388 7.621) 23.649 6.571 ( -0.000 -3.622 -1.493) 3.918 7.512 ( 0.000 -16.309 -8.895) 18.577 8.845 ( -0.000 -2.401 4.703) 5.280 9.316 ( 0.000 11.596 4.677) 12.504 10.471 ( 0.000 -1.687 -7.417) 7.606 11.769 ( -0.000 -17.727 -3.473) 18.064 12.724 ( -0.000 -9.752 5.504) 11.198 12.821 ( 0.000 -19.632 -10.094) 22.075 13.925 ( -0.000 -0.090 1.285) 1.288 16.124 ( -0.000 -7.480 4.273) 8.614 16.552 ( 0.000 12.162 0.011) 12.162 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 3.726 10.719 4.425) 12.181 2.744 ( 10.324 8.749 8.027) 15.734 3.510 ( -0.799 7.847 -6.397) 10.156 3.689 ( 9.773 8.699 -8.667) 15.694 5.043 ( 3.998 20.202 6.787) 21.684 5.904 ( -5.384 16.390 -1.189) 17.293 6.147 ( 2.851 -27.610 11.505) 30.046 6.516 ( -1.111 -2.103 1.338) 2.729 7.330 ( -1.712 -10.147 -5.509) 11.673 8.853 ( -0.438 3.972 -0.636) 4.046 9.406 ( -4.116 8.722 2.944) 10.084 10.307 ( -11.934 -4.983 -11.961) 17.616 11.659 ( 7.313 -14.210 -2.059) 16.113 12.538 ( -4.162 -18.603 -0.142) 19.064 12.630 ( -3.217 -7.750 -0.906) 8.440 13.976 ( 4.746 1.652 0.604) 5.062 16.088 ( 3.941 -9.075 0.946) 9.939 16.618 ( -5.849 8.294 3.398) 10.703 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 6.910 9.537 3.476) 12.280 3.108 ( 17.161 9.937 6.400) 20.837 3.520 ( -1.812 4.247 -8.111) 9.333 3.972 ( 15.285 7.330 -5.332) 17.771 5.325 ( 5.159 13.874 5.449) 15.774 5.904 ( -9.086 10.537 -0.273) 13.916 5.982 ( 5.166 -26.750 13.044) 30.206 6.540 ( 2.362 1.230 6.782) 7.286 7.192 ( -4.681 -4.883 -1.323) 6.893 8.905 ( 1.104 6.776 -4.874) 8.420 9.362 ( -8.685 3.515 -2.499) 9.697 9.911 ( -17.615 -6.601 -13.993) 23.445 11.658 ( 3.644 -8.035 -0.178) 8.825 12.351 ( 3.928 -15.443 -2.601) 16.146 12.479 ( -6.402 -5.253 4.789) 9.567 14.126 ( 7.675 5.869 -0.319) 9.667 16.062 ( 4.412 -11.845 0.641) 12.657 16.533 ( -11.756 3.511 3.052) 12.643 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( 8.437 6.897 1.889) 11.059 3.479 ( -3.734 5.315 -3.578) 7.416 3.574 ( 19.794 9.762 1.667) 22.133 4.312 ( 15.612 8.077 -4.173) 18.066 5.520 ( 4.304 3.825 4.793) 7.491 5.817 ( -11.913 9.027 -0.539) 14.956 5.889 ( 8.605 -24.029 13.437) 28.844 6.621 ( 1.375 0.315 6.424) 6.577 7.038 ( -9.286 -2.359 1.757) 9.740 8.983 ( 2.302 5.357 -8.077) 9.962 9.130 ( -13.958 0.523 -10.440) 17.438 9.604 ( -6.842 -3.073 -4.450) 8.721 11.620 ( -1.723 -1.392 3.131) 3.835 12.206 ( -4.583 -12.252 -5.414) 14.157 12.445 ( 5.058 -3.440 5.952) 8.534 14.357 ( 9.021 11.000 -0.809) 14.249 16.001 ( 2.953 -13.762 1.117) 14.120 16.312 ( -14.514 -1.922 1.462) 14.713 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 8.360 4.527 -0.761) 9.537 3.431 ( -3.702 2.489 -2.241) 4.992 4.029 ( 15.369 14.444 1.364) 21.135 4.630 ( 10.539 10.877 -4.643) 15.841 5.582 ( 1.256 -5.213 5.658) 7.795 5.675 ( -9.895 2.106 1.607) 10.243 5.870 ( 6.908 -15.787 6.284) 18.342 6.574 ( -8.440 -2.103 -1.561) 8.837 6.835 ( -9.414 -4.215 5.106) 11.509 8.911 ( -0.902 0.161 -5.409) 5.486 9.117 ( 1.983 10.801 -5.002) 12.067 9.504 ( -0.262 -4.670 -2.756) 5.428 11.616 ( -3.030 3.183 8.420) 9.498 11.970 ( -5.760 -8.420 -6.373) 12.028 12.519 ( 3.612 -2.506 1.457) 4.631 14.656 ( 9.388 16.146 -0.842) 18.696 15.873 ( -7.936 -7.201 1.862) 10.877 16.042 ( -3.996 -14.515 -0.463) 15.062 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.337 ( -4.001 3.253 -2.832) 5.883 3.472 ( 7.246 1.677 0.447) 7.451 4.368 ( 3.968 15.481 -2.481) 16.173 4.841 ( 0.173 15.137 -5.696) 16.174 5.496 ( -3.897 -4.787 5.263) 8.112 5.568 ( -2.346 -6.840 1.857) 7.466 5.809 ( 0.410 -10.666 -4.432) 11.557 6.328 ( -12.003 -3.088 4.350) 13.135 6.704 ( -1.254 -8.208 5.429) 9.920 9.007 ( 7.401 5.378 -1.574) 9.282 9.275 ( 4.831 8.553 1.301) 9.909 9.463 ( 3.904 -5.616 -5.542) 8.803 11.526 ( -8.902 -6.874 7.924) 13.758 11.920 ( 3.757 7.272 -3.865) 9.052 12.505 ( -2.186 -3.057 -1.172) 3.936 14.983 ( 4.626 20.770 -0.332) 21.282 15.591 ( -13.732 -4.014 0.099) 14.307 15.918 ( 8.928 -21.527 0.214) 23.306 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( -6.592 3.173 0.642) 7.344 3.611 ( 7.145 0.077 -2.765) 7.661 4.377 ( -16.860 11.137 -6.165) 21.126 4.943 ( -4.065 17.071 -4.904) 18.220 5.442 ( -4.776 -1.434 -2.448) 5.555 5.456 ( 1.448 -5.190 5.806) 7.921 5.675 ( -0.325 -9.149 -5.430) 10.644 6.197 ( -4.431 -2.781 15.542) 16.399 6.649 ( 3.485 -9.555 3.765) 10.845 9.193 ( 6.897 7.228 -5.178) 11.253 9.350 ( 2.112 -6.135 -1.177) 6.595 9.585 ( 10.872 3.942 -2.202) 11.772 11.332 ( -4.719 -8.153 5.241) 10.780 12.122 ( 7.653 10.681 -1.238) 13.198 12.380 ( -6.784 -3.887 -0.695) 7.849 15.022 ( -18.858 8.262 -0.410) 20.593 15.556 ( 9.129 7.501 0.290) 11.819 15.899 ( 12.286 -18.077 0.220) 21.858 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -8.308 2.914 2.746) 9.222 3.684 ( 3.228 -2.761 -5.740) 7.140 4.052 ( -25.177 6.560 -2.312) 26.120 4.960 ( -9.591 13.141 -9.388) 18.783 5.400 ( -0.661 -11.765 9.039) 14.851 5.433 ( 1.533 2.115 0.800) 2.732 5.650 ( 3.853 4.827 -1.789) 6.430 6.181 ( -3.065 -0.210 17.612) 17.878 6.661 ( 6.030 -6.676 2.278) 9.280 9.273 ( 3.174 -11.811 -6.641) 13.917 9.365 ( 1.715 11.127 -2.990) 11.649 9.765 ( 10.166 -3.858 -8.359) 13.715 11.283 ( 3.656 -2.625 5.424) 7.048 12.170 ( -0.970 -13.765 -3.005) 14.123 12.405 ( 4.126 16.083 3.223) 16.914 14.709 ( -18.352 0.003 -1.020) 18.380 15.762 ( 6.332 -2.275 2.179) 7.072 16.061 ( 16.179 2.919 -0.277) 16.442 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 0.000 7.121 1.779) 7.340 2.772 ( -0.000 7.882 10.108) 12.818 3.593 ( 0.000 7.480 -2.448) 7.870 3.622 ( 0.000 4.534 -10.411) 11.355 5.236 ( 0.000 19.062 4.980) 19.702 5.840 ( -0.000 -32.942 18.091) 37.583 6.143 ( 0.000 17.128 -3.336) 17.450 6.492 ( -0.000 -3.125 -0.813) 3.229 7.206 ( 0.000 -8.319 -7.331) 11.088 8.917 ( 0.000 8.135 -3.642) 8.913 9.572 ( 0.000 9.698 4.252) 10.589 10.350 ( 0.000 -3.755 -10.177) 10.847 11.400 ( -0.000 -15.445 -3.342) 15.802 12.367 ( -0.000 -17.918 -6.385) 19.022 12.606 ( -0.000 -6.828 6.432) 9.381 13.933 ( -0.000 -0.062 1.033) 1.035 15.974 ( -0.000 -6.685 -1.502) 6.852 16.770 ( -0.000 6.231 5.587) 8.369 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 6.955 7.181 1.850) 10.167 2.946 ( 8.969 5.564 8.897) 13.805 3.582 ( -2.318 3.920 -5.895) 7.449 3.778 ( 11.152 4.938 -3.419) 12.667 5.426 ( 1.287 9.765 3.553) 10.471 5.617 ( 4.683 -28.558 19.131) 34.692 6.205 ( -8.489 12.395 -3.639) 15.458 6.512 ( 4.022 0.609 1.913) 4.495 7.132 ( 1.399 -5.222 -5.458) 7.682 8.985 ( -1.019 10.209 -5.822) 11.797 9.588 ( -9.030 6.643 1.475) 11.307 10.107 ( -15.961 -5.278 -12.237) 20.794 11.391 ( 13.110 -10.196 -2.302) 16.767 12.163 ( -0.860 -14.814 -4.350) 15.464 12.532 ( -3.619 -5.734 7.523) 10.128 14.016 ( 8.301 1.726 0.460) 8.491 15.912 ( 0.708 -7.202 -1.459) 7.382 16.769 ( -7.727 3.320 4.866) 9.716 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 6.154 5.525 3.049) 8.815 3.286 ( 19.429 4.507 3.207) 20.201 3.570 ( -1.294 4.345 -0.878) 4.618 4.068 ( 16.862 4.495 -1.585) 17.523 5.425 ( 7.024 -22.515 14.317) 27.590 5.635 ( 2.961 1.809 5.618) 6.603 6.120 ( -11.404 8.596 -2.829) 14.558 6.604 ( 3.219 0.580 2.494) 4.113 7.086 ( -0.877 -2.865 -3.133) 4.335 9.042 ( -2.056 9.152 -6.258) 11.276 9.388 ( -16.536 2.525 -8.548) 18.785 9.746 ( -13.771 -2.249 -3.774) 14.454 11.536 ( 10.104 -2.943 -1.926) 10.699 12.031 ( 2.777 -12.981 -4.238) 13.935 12.440 ( -3.223 -3.967 8.547) 9.959 14.249 ( 13.210 5.965 -0.102) 14.495 15.826 ( -0.141 -10.019 -0.857) 10.057 16.605 ( -14.688 0.893 3.258) 15.071 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 7.117 2.903 1.931) 7.925 3.487 ( -0.309 2.564 -3.887) 4.667 3.822 ( 20.456 7.178 7.660) 22.993 4.429 ( 18.446 5.016 -0.498) 19.122 5.415 ( 9.976 -18.230 13.265) 24.654 5.686 ( 0.598 -1.582 1.102) 2.019 5.955 ( -14.131 4.715 -2.111) 15.046 6.617 ( -1.145 -2.708 -2.266) 3.712 6.986 ( -7.884 -1.961 -1.957) 8.357 8.970 ( -7.870 1.312 -5.098) 9.469 9.232 ( -3.386 11.951 -6.783) 14.153 9.539 ( -8.260 -2.172 0.932) 8.591 11.672 ( 4.933 4.658 2.232) 7.143 11.896 ( -2.003 -12.882 -6.706) 14.660 12.435 ( 3.232 -2.885 6.084) 7.469 14.585 ( 15.011 10.838 -0.392) 18.519 15.704 ( 0.325 -13.224 -0.155) 13.229 16.307 ( -19.760 -0.986 1.558) 19.846 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.312 ( 7.419 0.900 -0.385) 7.484 3.472 ( -3.254 3.289 0.182) 4.630 4.275 ( 18.840 6.066 5.418) 20.521 4.790 ( 15.386 6.646 -0.490) 16.767 5.481 ( 7.316 -7.835 6.836) 12.714 5.610 ( -5.297 -5.821 -3.219) 8.503 5.728 ( -10.749 -2.987 1.703) 11.286 6.490 ( -7.609 -2.645 -8.048) 11.387 6.766 ( -10.911 -4.159 0.092) 11.677 8.950 ( 2.616 5.071 1.671) 5.945 9.327 ( -0.483 9.278 1.703) 9.445 9.407 ( -2.037 -1.227 -4.128) 4.764 11.631 ( -8.890 -10.717 0.432) 13.931 11.869 ( 6.442 7.995 -1.516) 10.378 12.480 ( 2.529 -3.352 1.382) 4.421 14.984 ( 15.556 14.678 -0.428) 21.392 15.587 ( 3.112 -15.002 0.461) 15.328 15.918 ( -22.349 -2.159 0.186) 22.453 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.398 ( -1.540 2.156 0.295) 2.666 3.479 ( 3.844 0.582 -0.427) 3.911 4.573 ( 5.226 3.162 1.632) 6.323 5.069 ( 6.504 9.857 -2.014) 11.980 5.419 ( -5.464 -6.996 4.161) 9.803 5.463 ( -5.288 -3.702 -3.908) 7.546 5.603 ( 1.690 -4.687 -0.223) 4.987 6.321 ( -5.747 1.542 -0.801) 6.004 6.580 ( -4.255 -6.500 1.458) 7.904 9.070 ( 3.583 0.328 -0.754) 3.676 9.316 ( 0.961 0.843 0.886) 1.556 9.523 ( 4.826 8.363 -0.284) 9.660 11.374 ( -7.335 -8.740 0.033) 11.411 12.051 ( 4.602 4.655 -0.093) 6.546 12.459 ( -1.260 -0.702 0.064) 1.444 15.360 ( 1.933 2.514 -0.008) 3.171 15.523 ( 2.361 1.565 0.060) 2.833 15.558 ( -4.411 -4.199 -0.052) 6.090 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( -6.443 2.076 3.594) 7.664 3.560 ( 5.363 -1.334 -4.713) 7.263 4.468 ( -16.389 -0.103 -2.018) 16.513 5.180 ( -8.124 -3.780 -5.346) 10.434 5.250 ( 3.606 -3.360 5.160) 7.136 5.425 ( 2.218 0.275 0.824) 2.382 5.651 ( 3.720 6.987 -0.397) 7.925 6.332 ( -2.930 5.697 13.276) 14.741 6.509 ( 4.535 -4.458 -3.537) 7.277 9.046 ( 2.647 -9.557 -5.554) 11.366 9.425 ( 3.120 8.985 -1.024) 9.567 9.631 ( 1.859 -1.063 -1.997) 2.928 11.255 ( 0.034 -1.029 2.698) 2.888 12.027 ( -2.020 -12.038 -2.351) 12.431 12.516 ( 2.100 9.789 2.000) 10.209 15.014 ( -19.003 -8.229 -0.723) 20.721 15.568 ( 7.776 -7.571 0.727) 10.877 15.902 ( 14.392 18.473 0.333) 23.419 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 0.000 4.044 1.417) 4.285 2.977 ( -0.000 4.849 11.291) 12.288 3.619 ( 0.000 1.544 -4.549) 4.804 3.705 ( 0.000 5.074 -1.990) 5.451 5.271 ( -0.000 -30.901 19.216) 36.389 5.597 ( 0.000 10.113 3.152) 10.593 6.418 ( 0.000 11.824 -5.014) 12.843 6.439 ( -0.000 -1.852 0.436) 1.903 7.063 ( 0.000 -2.233 -3.431) 4.094 9.076 ( 0.000 10.538 -8.303) 13.416 9.744 ( 0.000 5.077 0.922) 5.161 10.197 ( 0.000 -2.706 -12.481) 12.771 11.124 ( -0.000 -9.616 -0.972) 9.665 12.025 ( -0.000 -11.534 -4.288) 12.305 12.538 ( -0.000 -5.321 8.843) 10.320 13.937 ( -0.000 -0.088 0.483) 0.491 15.855 ( -0.000 -3.844 -1.343) 4.071 16.879 ( -0.000 1.394 4.204) 4.429 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 9.190 2.817 0.492) 9.625 3.102 ( 6.554 2.486 11.514) 13.480 3.620 ( -0.678 2.922 -0.490) 3.039 3.846 ( 11.060 3.404 -1.274) 11.642 5.092 ( 5.744 -26.683 19.543) 33.569 5.690 ( -0.158 6.316 0.256) 6.323 6.346 ( -7.320 3.983 -2.203) 8.620 6.548 ( 3.543 2.226 -3.087) 5.200 7.054 ( 0.905 -0.158 -1.118) 1.447 9.138 ( -0.928 8.775 -9.332) 12.844 9.658 ( -13.270 1.601 -6.137) 14.708 9.983 ( -13.750 0.448 -4.996) 14.636 11.226 ( 16.710 -4.306 -2.099) 17.383 11.899 ( -1.267 -8.369 -3.145) 9.030 12.491 ( -3.050 -4.234 9.359) 10.715 14.048 ( 11.731 1.081 0.144) 11.782 15.793 ( -2.841 -3.525 -0.740) 4.588 16.825 ( -8.164 -0.225 2.792) 8.631 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 6.381 0.370 1.595) 6.588 3.378 ( 15.919 2.382 4.820) 16.802 3.665 ( 3.213 2.536 5.961) 7.231 4.138 ( 17.903 3.098 0.595) 18.179 5.076 ( 10.979 -18.450 16.977) 27.371 5.711 ( -1.648 1.205 -2.086) 2.918 6.212 ( -11.218 2.582 -3.501) 12.032 6.568 ( 0.753 -2.684 -5.872) 6.500 7.058 ( -2.085 0.891 -0.188) 2.275 9.110 ( -6.609 1.994 -8.902) 11.265 9.414 ( -9.276 7.689 -9.104) 15.102 9.763 ( -14.347 2.436 5.742) 15.644 11.514 ( 17.021 2.132 -2.942) 17.404 11.781 ( -1.737 -7.818 -5.077) 9.483 12.430 ( -2.724 -3.124 9.269) 10.154 14.344 ( 18.672 2.807 -0.086) 18.882 15.677 ( -5.639 -3.794 -0.115) 6.797 16.616 ( -15.288 -1.234 1.300) 15.392 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( 6.815 -1.671 0.622) 7.044 3.560 ( -0.225 5.153 1.154) 5.285 3.935 ( 21.978 -2.639 9.952) 24.270 4.516 ( 20.042 3.255 2.367) 20.442 5.209 ( 13.549 -9.223 12.223) 20.446 5.641 ( -3.978 -2.435 -4.472) 6.462 5.973 ( -15.267 -0.937 -3.896) 15.784 6.486 ( -1.909 -4.963 -10.578) 11.839 6.940 ( -11.016 -0.843 -3.700) 11.651 9.014 ( -1.734 4.575 0.079) 4.893 9.423 ( -0.207 7.892 -5.956) 9.889 9.556 ( -14.061 3.527 8.306) 16.708 11.612 ( -4.609 -9.948 -5.808) 12.407 11.832 ( 11.881 10.163 -1.563) 15.713 12.403 ( 0.363 -4.229 5.598) 7.025 14.722 ( 20.946 0.799 -0.084) 20.961 15.546 ( -5.359 -0.445 0.210) 5.381 16.287 ( -20.369 -1.377 0.150) 20.416 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( 7.281 -3.007 -1.750) 8.070 3.574 ( -3.980 4.739 3.981) 7.359 4.306 ( 20.449 -8.100 6.862) 23.040 4.899 ( 17.843 3.007 3.703) 18.470 5.399 ( 8.043 -2.729 4.160) 9.457 5.523 ( -4.137 -0.627 -6.044) 7.351 5.652 ( -14.757 -4.286 -0.472) 15.374 6.356 ( -1.881 -2.907 -14.001) 14.423 6.685 ( -12.289 -2.093 -3.015) 12.825 9.124 ( 0.452 8.090 7.371) 10.954 9.332 ( -5.291 -2.693 2.193) 6.329 9.566 ( 0.174 9.925 1.552) 10.047 11.392 ( -6.276 -7.861 -6.104) 11.766 12.091 ( 2.024 10.194 4.325) 11.257 12.388 ( 4.239 -5.088 -1.851) 6.876 15.016 ( 16.339 -12.761 0.666) 20.742 15.560 ( 2.085 12.789 -0.515) 12.968 15.902 ( -21.652 1.300 -0.353) 21.694 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -0.000 0.730 1.246) 1.444 3.112 ( -0.000 -1.000 13.545) 13.582 3.663 ( 0.000 4.524 2.132) 5.001 3.771 ( 0.000 2.554 -1.424) 2.924 4.864 ( -0.000 -20.684 19.347) 28.322 5.737 ( 0.000 2.447 -1.592) 2.919 6.423 ( -0.000 -0.437 1.520) 1.581 6.536 ( 0.000 4.151 -7.674) 8.725 7.053 ( -0.000 1.532 1.099) 1.885 9.184 ( 0.000 5.940 -11.137) 12.622 9.786 ( 0.000 0.002 -3.307) 3.307 10.100 ( 0.000 3.011 -13.309) 13.645 11.010 ( -0.000 -2.038 2.242) 3.030 11.850 ( 0.000 -3.519 -1.752) 3.931 12.514 ( -0.000 -3.426 9.761) 10.345 13.935 ( -0.000 -0.231 -0.010) 0.231 15.802 ( -0.000 -0.812 -0.278) 0.858 16.897 ( -0.000 -1.392 1.792) 2.269 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 8.724 -1.050 -0.176) 8.789 3.183 ( 7.145 -3.784 13.214) 15.491 3.712 ( -1.179 4.298 4.468) 6.311 3.905 ( 11.745 3.028 1.308) 12.199 4.821 ( 6.553 -11.727 16.795) 21.506 5.722 ( -0.932 -2.194 -3.258) 4.037 6.369 ( -6.428 0.096 -1.297) 6.558 6.526 ( -0.580 -0.918 -7.284) 7.365 7.090 ( 0.589 2.561 2.414) 3.568 9.165 ( -2.564 1.137 -11.675) 12.007 9.627 ( -11.552 1.489 -8.057) 14.163 10.036 ( -8.228 6.181 -1.901) 10.465 11.190 ( 17.186 1.752 -0.964) 17.302 11.786 ( -4.390 -0.713 -2.552) 5.127 12.495 ( -2.769 -1.960 10.048) 10.606 14.057 ( 13.373 -0.188 -0.119) 13.375 15.760 ( -4.406 0.414 0.074) 4.426 16.811 ( -8.157 -2.069 0.807) 8.454 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 6.525 -3.383 0.192) 7.352 3.422 ( 18.730 -3.937 8.169) 20.809 3.746 ( 0.087 1.018 6.636) 6.714 4.217 ( 17.916 3.189 4.786) 18.816 4.966 ( 11.536 -2.280 12.358) 17.059 5.639 ( -2.015 -5.717 -4.775) 7.717 6.180 ( -12.186 -2.713 -4.588) 13.301 6.440 ( -2.863 -3.898 -9.444) 10.610 7.085 ( -5.845 1.361 -0.728) 6.046 9.063 ( -2.318 0.268 -6.484) 6.892 9.502 ( -3.905 4.187 -5.180) 7.721 9.917 ( -14.147 8.368 6.582) 17.705 11.531 ( 13.017 -0.902 -0.410) 13.054 11.694 ( 0.607 5.780 -9.130) 10.823 12.453 ( -4.428 -0.892 9.638) 10.644 14.347 ( 19.207 -2.375 0.010) 19.353 15.678 ( -6.090 3.640 -0.075) 7.095 16.585 ( -15.014 -1.970 0.215) 15.144 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 6.676 -4.709 -0.577) 8.190 3.678 ( 2.575 3.883 2.890) 5.483 3.842 ( 18.061 -12.885 8.728) 23.842 4.601 ( 19.602 1.848 7.335) 21.011 5.236 ( 12.353 5.061 6.525) 14.859 5.523 ( -1.555 -5.615 -5.464) 7.988 5.870 ( -15.485 -5.574 -4.944) 17.184 6.298 ( -3.139 -4.316 -13.836) 14.830 6.892 ( -13.425 -0.852 -5.216) 14.428 9.132 ( 7.064 5.517 2.247) 9.240 9.447 ( -5.618 -1.296 1.006) 5.853 9.802 ( -12.214 11.783 8.409) 18.940 11.432 ( -7.774 -3.210 -5.766) 10.198 12.031 ( 18.307 10.650 -6.250) 22.082 12.370 ( -7.554 -1.998 7.586) 10.890 14.614 ( 16.266 -9.594 0.613) 18.895 15.674 ( -1.152 10.598 -1.289) 10.738 16.269 ( -18.778 0.281 0.270) 18.782 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( -0.000 -2.735 0.759) 2.839 3.113 ( -0.000 -7.893 12.991) 15.201 3.788 ( 0.000 -0.096 -0.771) 0.777 3.840 ( -0.000 8.080 9.646) 12.583 4.744 ( -0.000 -2.565 14.403) 14.629 5.672 ( 0.000 -6.781 -4.082) 7.915 6.443 ( -0.000 1.058 2.251) 2.488 6.484 ( 0.000 -3.327 -9.029) 9.622 7.121 ( -0.000 3.408 3.428) 4.834 9.149 ( 0.000 -0.887 -12.175) 12.208 9.710 ( 0.000 -3.983 -5.694) 6.949 10.144 ( 0.000 9.862 -12.530) 15.945 11.066 ( -0.000 5.113 3.898) 6.429 11.851 ( 0.000 4.141 -0.717) 4.203 12.545 ( -0.000 -0.113 10.349) 10.350 13.927 ( 0.000 -0.471 -0.312) 0.564 15.811 ( 0.000 1.489 0.022) 1.489 16.862 ( -0.000 -2.578 0.535) 2.633 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( 7.928 -4.372 -0.715) 9.082 3.127 ( 8.343 -10.344 11.855) 17.808 3.786 ( 0.178 -0.282 1.835) 1.865 4.038 ( 9.124 5.982 10.503) 15.144 4.867 ( 6.308 6.501 10.191) 13.635 5.561 ( -0.502 -10.573 -4.623) 11.551 6.317 ( -8.598 -4.947 -5.570) 11.376 6.439 ( -3.028 -1.280 -3.751) 4.988 7.171 ( -1.273 3.388 2.202) 4.237 9.061 ( -2.089 -2.598 -10.021) 10.561 9.583 ( -4.833 -2.021 -5.234) 7.405 10.187 ( -4.259 10.567 -4.611) 12.291 11.277 ( 13.775 6.714 0.533) 15.333 11.831 ( -7.543 6.804 -2.903) 10.565 12.565 ( -3.099 2.156 10.332) 11.000 14.039 ( 12.533 -1.366 -0.169) 12.608 15.798 ( -3.316 2.889 -0.656) 4.447 16.767 ( -7.884 -2.379 0.804) 8.275 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.944 ( 6.468 -6.206 -0.336) 8.970 3.300 ( 19.789 -13.431 6.819) 24.870 3.784 ( -0.881 -1.368 3.495) 3.856 4.341 ( 15.336 2.900 11.291) 19.264 5.145 ( 10.085 13.053 4.426) 17.078 5.426 ( 0.446 -11.592 -4.116) 12.309 6.038 ( -12.850 -7.523 -6.000) 16.053 6.312 ( -6.702 -1.663 -7.695) 10.339 7.085 ( -10.705 0.030 -3.827) 11.369 9.050 ( 5.758 1.213 -1.672) 6.117 9.496 ( -2.339 -2.255 -1.303) 3.500 10.168 ( -10.251 11.823 3.640) 16.066 11.520 ( 0.362 1.827 -1.200) 2.216 11.831 ( 6.860 12.018 -8.183) 16.076 12.548 ( -6.617 4.003 9.364) 12.145 14.265 ( 14.782 -5.332 0.367) 15.719 15.784 ( -1.851 6.224 -2.398) 6.922 16.560 ( -13.713 -0.434 1.676) 13.822 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -0.000 -6.450 -0.259) 6.455 2.985 ( -0.000 -12.866 10.551) 16.639 3.755 ( -0.000 -2.863 -0.141) 2.867 4.078 ( -0.000 5.602 14.129) 15.199 4.949 ( 0.000 14.428 6.206) 15.706 5.420 ( -0.000 -14.374 -3.681) 14.838 6.282 ( 0.000 -9.652 -9.383) 13.462 6.496 ( -0.000 2.428 2.522) 3.501 7.234 ( -0.000 5.209 3.164) 6.095 9.008 ( 0.000 -4.246 -10.541) 11.365 9.557 ( 0.000 -6.828 -5.499) 8.767 10.294 ( 0.000 12.250 -10.640) 16.226 11.258 ( 0.000 10.799 3.485) 11.347 11.989 ( 0.000 9.651 -1.364) 9.747 12.670 ( -0.000 5.431 10.543) 11.860 13.913 ( 0.000 -0.536 -0.341) 0.636 15.843 ( 0.000 1.598 -1.888) 2.474 16.818 ( -0.000 -2.081 2.177) 3.012 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 8.199 -7.948 -1.699) 11.545 2.931 ( 7.185 -16.134 8.432) 19.571 3.745 ( 2.234 -4.163 0.575) 4.760 4.218 ( 6.611 0.740 13.894) 15.404 5.170 ( 5.019 12.149 -1.676) 13.252 5.277 ( 0.974 -8.391 0.735) 8.479 6.091 ( -6.020 -10.021 -7.953) 14.139 6.449 ( -8.366 2.415 0.217) 8.710 7.244 ( -6.720 3.085 -1.310) 7.509 8.952 ( 3.283 -2.359 -5.204) 6.590 9.468 ( 0.079 -6.029 -2.984) 6.728 10.380 ( -1.343 11.411 -5.671) 12.813 11.459 ( 7.348 10.497 0.745) 12.835 12.007 ( -8.164 12.226 -3.026) 15.009 12.738 ( -4.263 8.000 9.578) 13.187 14.006 ( 10.004 -1.757 0.045) 10.157 15.836 ( -0.714 1.519 -3.991) 4.329 16.749 ( -7.127 -0.397 4.057) 8.211 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( -0.000 -10.863 -1.932) 11.033 2.735 ( -0.000 -17.878 6.354) 18.974 3.671 ( -0.000 -5.458 0.406) 5.473 4.174 ( -0.000 -8.458 11.786) 14.507 5.064 ( -0.000 -14.000 0.595) 14.013 5.370 ( 0.000 18.096 -3.080) 18.356 6.025 ( 0.000 -5.942 -5.885) 8.363 6.568 ( -0.000 2.820 1.918) 3.410 7.359 ( 0.000 5.811 -1.518) 6.006 8.865 ( 0.000 -3.281 -5.265) 6.204 9.373 ( -0.000 -7.907 -2.973) 8.447 10.466 ( 0.000 10.564 -7.580) 13.003 11.534 ( 0.000 14.103 1.531) 14.186 12.212 ( 0.000 13.385 -2.023) 13.537 12.914 ( -0.000 11.547 8.847) 14.546 13.904 ( -0.000 -0.139 0.038) 0.144 15.818 ( 0.000 -2.066 -5.978) 6.326 16.831 ( -0.000 0.603 6.865) 6.891 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 0.000 27.612) 27.612 0.958 ( -0.000 0.000 27.612) 27.612 1.609 ( -0.000 0.000 48.660) 48.660 3.026 ( 0.000 -0.000 -4.808) 4.808 3.026 ( 0.000 -0.000 -4.808) 4.808 5.397 ( 0.000 -0.000 -13.501) 13.501 6.642 ( -0.000 0.000 2.073) 2.073 6.642 ( -0.000 0.000 2.073) 2.073 8.901 ( 0.000 0.000 -3.889) 3.889 8.901 ( 0.000 -0.000 -3.889) 3.889 10.167 ( 0.000 -0.000 -0.172) 0.172 11.668 ( -0.000 0.000 4.063) 4.063 12.588 ( -0.000 -0.000 2.477) 2.477 12.588 ( -0.000 -0.000 2.477) 2.477 14.000 ( 0.000 -0.000 -1.238) 1.238 14.000 ( 0.000 -0.000 -1.238) 1.238 14.118 ( 0.000 -0.000 -2.588) 2.588 16.746 ( 0.000 -0.000 -0.412) 0.412 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 8.997 5.194 22.097) 24.417 1.287 ( 8.548 4.935 28.135) 29.816 2.085 ( 26.430 15.259 32.732) 44.752 3.079 ( 4.503 2.600 -4.304) 6.751 3.174 ( 14.565 8.409 -3.735) 17.228 5.343 ( -0.294 -0.170 -14.136) 14.140 6.625 ( -0.957 -0.553 1.549) 1.903 6.661 ( -0.018 -0.011 -0.680) 0.680 8.453 ( -33.193 -19.164 -0.289) 38.330 8.977 ( 4.929 2.846 -2.831) 6.357 10.163 ( -4.711 -2.720 3.180) 6.301 10.768 ( -27.506 -15.880 21.390) 38.292 12.484 ( -7.331 -4.232 1.651) 8.624 13.199 ( 9.449 5.456 -16.458) 19.746 13.858 ( -10.137 -5.853 -2.110) 11.894 14.017 ( 0.523 0.302 -0.717) 0.938 14.609 ( 33.212 19.175 -1.967) 38.400 16.805 ( 6.172 3.563 -6.096) 9.379 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 16.554 9.558 13.554) 23.433 1.608 ( 12.007 6.932 23.296) 27.110 2.887 ( 32.278 18.636 11.965) 39.145 3.195 ( 6.300 3.637 -3.767) 8.192 3.632 ( 23.490 13.562 2.520) 27.241 5.293 ( 0.277 0.160 -12.859) 12.863 6.608 ( -0.783 -0.452 0.632) 1.103 6.645 ( -0.481 -0.278 -4.397) 4.432 7.615 ( -34.283 -19.793 4.254) 39.814 9.106 ( 6.411 3.701 -1.007) 7.471 9.947 ( -13.159 -7.597 15.013) 21.361 10.533 ( -5.192 -2.998 -1.538) 6.189 12.268 ( -11.130 -6.426 0.408) 12.859 13.125 ( -7.726 -4.461 -8.993) 12.668 13.559 ( -12.813 -7.398 -4.507) 15.467 14.018 ( -0.364 -0.210 -0.095) 0.431 15.227 ( 17.939 10.357 6.246) 21.636 16.959 ( 8.410 4.856 -10.503) 14.304 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 17.097 9.871 8.266) 21.402 2.015 ( 16.554 9.558 14.990) 24.292 3.335 ( 6.484 3.743 -3.356) 8.205 3.596 ( 26.279 15.172 -6.825) 31.103 4.246 ( 25.696 14.836 12.177) 32.073 5.273 ( 1.450 0.837 -9.378) 9.527 6.589 ( -3.901 -2.252 -5.253) 6.920 6.592 ( -0.667 -0.385 -0.467) 0.901 7.010 ( -16.712 -9.649 7.441) 20.683 9.261 ( 6.508 3.757 1.315) 7.629 9.696 ( -13.223 -7.634 16.430) 22.429 10.315 ( -12.152 -7.016 -13.041) 19.156 11.982 ( -12.780 -7.379 -1.047) 14.794 12.846 ( -13.417 -7.746 -2.055) 15.629 13.284 ( -8.553 -4.938 -6.567) 11.859 14.001 ( -1.038 -0.599 0.379) 1.257 15.545 ( 7.943 4.586 8.910) 12.788 17.087 ( 4.942 2.854 -8.343) 10.108 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 14.584 8.420 5.172) 17.617 2.470 ( 18.455 10.655 7.963) 22.749 3.466 ( 5.553 3.206 -2.882) 7.030 4.046 ( 15.653 9.037 -18.394) 25.788 4.864 ( 21.135 12.202 15.607) 28.969 5.304 ( 3.841 2.218 -2.626) 5.154 6.456 ( -4.583 -2.646 5.493) 7.628 6.572 ( -0.743 -0.429 -1.458) 1.691 6.875 ( 0.502 0.290 1.059) 1.207 9.410 ( 5.250 3.031 3.617) 7.059 9.429 ( -14.439 -8.336 12.036) 20.563 9.894 ( -17.940 -10.358 -14.033) 25.021 11.679 ( -12.124 -7.000 -2.460) 14.214 12.526 ( -12.925 -7.462 -0.376) 14.929 13.104 ( -5.344 -3.085 -5.498) 8.265 13.975 ( -1.201 -0.693 0.590) 1.507 15.698 ( 3.259 1.882 6.782) 7.756 17.127 ( 0.622 0.359 -4.800) 4.853 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 10.580 6.109 2.848) 12.545 2.924 ( 18.543 10.706 2.265) 21.531 3.573 ( 4.286 2.475 -1.926) 5.311 4.190 ( 3.023 1.745 -23.022) 23.285 5.246 ( 8.635 4.986 6.638) 11.979 5.528 ( 12.844 7.415 14.095) 20.460 6.424 ( -1.753 -1.012 4.041) 4.519 6.547 ( -0.897 -0.518 -2.111) 2.352 6.942 ( 4.549 2.626 -2.065) 5.644 9.075 ( -15.882 -9.170 -5.054) 19.023 9.499 ( -12.842 -7.414 7.241) 16.502 9.525 ( 3.211 1.854 5.251) 6.428 11.411 ( -9.566 -5.523 -3.480) 11.581 12.250 ( -10.276 -5.933 -1.450) 11.954 12.981 ( -3.813 -2.201 -4.636) 6.394 13.952 ( -0.901 -0.520 0.569) 1.186 15.763 ( 1.088 0.628 3.680) 3.889 17.093 ( -2.189 -1.264 -2.280) 3.405 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 5.754 3.322 0.604) 6.672 3.347 ( 17.498 10.103 -3.042) 20.433 3.657 ( 3.270 1.888 -0.342) 3.792 4.065 ( -5.677 -3.278 -22.029) 22.983 5.435 ( 5.563 3.212 5.773) 8.637 5.817 ( 4.210 2.431 14.850) 15.626 6.316 ( -5.885 -3.398 -10.360) 12.390 6.518 ( -0.778 -0.449 -2.426) 2.587 7.049 ( 4.909 2.834 -3.144) 6.482 8.786 ( -5.478 -3.163 -1.636) 6.533 9.339 ( -5.490 -3.170 21.455) 22.372 9.595 ( 1.061 0.613 5.894) 6.020 11.217 ( -5.727 -3.306 -3.875) 7.664 12.039 ( -6.845 -3.952 -3.022) 8.462 12.885 ( -2.978 -1.719 -5.269) 6.292 13.938 ( -0.513 -0.296 0.438) 0.737 15.787 ( 0.372 0.215 1.246) 1.318 17.022 ( -3.181 -1.836 -1.038) 3.817 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 0.936 0.540 -1.092) 1.536 3.680 ( 7.741 4.469 -15.222) 17.653 3.724 ( 2.239 1.293 1.125) 2.819 3.844 ( -1.902 -1.098 -11.298) 11.509 5.463 ( -7.270 -4.198 -4.714) 9.628 5.724 ( -7.728 -4.462 -3.755) 9.681 6.255 ( 1.636 0.945 2.270) 2.953 6.497 ( -0.135 -0.078 -2.549) 2.554 7.138 ( 3.681 2.125 -4.012) 5.845 8.786 ( 1.921 1.109 9.541) 9.795 9.408 ( 4.640 2.679 26.619) 27.153 9.617 ( -1.012 -0.584 5.776) 5.893 11.123 ( -1.023 -0.591 -3.743) 3.925 11.915 ( -2.579 -1.489 -4.088) 5.058 12.804 ( -1.966 -1.135 -6.874) 7.239 13.929 ( -0.369 -0.213 0.304) 0.523 15.797 ( 0.427 0.246 0.017) 0.493 16.946 ( -2.846 -1.643 -0.864) 3.398 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -3.070 -1.772 -1.408) 3.814 3.453 ( -11.495 -6.637 -17.263) 21.776 3.762 ( 0.479 0.276 1.537) 1.634 4.051 ( 11.846 6.839 -9.544) 16.679 5.142 ( -9.558 -5.518 -19.211) 22.155 5.596 ( -6.280 -3.626 1.967) 7.514 6.276 ( -2.631 -1.519 8.435) 8.966 6.497 ( 0.924 0.534 -2.568) 2.781 7.199 ( 2.954 1.706 -3.735) 5.058 8.860 ( 0.382 0.220 13.239) 13.247 9.587 ( -3.179 -1.835 5.263) 6.417 9.726 ( 13.380 7.725 25.308) 29.651 11.146 ( 4.124 2.381 -3.296) 5.791 11.895 ( 2.203 1.272 -3.946) 4.695 12.754 ( 0.277 0.160 -8.449) 8.455 13.921 ( -0.435 -0.251 0.197) 0.540 15.809 ( 0.562 0.324 0.206) 0.681 16.886 ( -1.820 -1.051 -1.657) 2.676 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -6.325 -3.652 -0.293) 7.309 3.107 ( -13.530 -7.812 -12.019) 19.712 3.750 ( -2.039 -1.177 0.869) 2.510 4.225 ( 5.621 3.245 -13.363) 14.856 5.038 ( 5.904 3.409 -9.778) 11.920 5.395 ( -10.823 -6.249 0.641) 12.514 6.180 ( -7.834 -4.523 9.312) 12.983 6.523 ( 1.974 1.140 -2.414) 3.320 7.262 ( 3.547 2.048 -2.048) 4.580 8.890 ( -1.631 -0.942 11.304) 11.460 9.504 ( -5.331 -3.078 4.397) 7.565 10.141 ( 14.113 8.148 17.917) 24.219 11.290 ( 8.880 5.127 -2.575) 10.572 11.992 ( 7.004 4.044 -1.782) 8.282 12.775 ( 4.571 2.639 -9.117) 10.535 13.911 ( -0.419 -0.242 0.099) 0.494 15.822 ( 0.027 0.016 2.094) 2.094 16.849 ( -0.583 -0.337 -3.571) 3.634 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 19.027 21.871) 28.989 1.432 ( -0.000 17.777 20.477) 27.117 2.082 ( -0.000 12.861 36.495) 38.695 3.003 ( 0.000 3.078 -5.952) 6.700 3.227 ( 0.000 20.167 -2.195) 20.286 5.299 ( 0.000 1.177 -15.320) 15.365 6.635 ( 0.000 0.049 -1.019) 1.020 6.678 ( -0.000 0.649 1.949) 2.055 8.729 ( -0.000 -12.874 -5.894) 14.159 8.850 ( 0.000 0.946 -3.502) 3.627 10.152 ( -0.000 -9.893 3.995) 10.669 10.682 ( -0.000 -45.116 22.427) 50.383 12.584 ( -0.000 -4.697 2.136) 5.160 13.118 ( 0.000 10.940 -14.259) 17.972 13.915 ( -0.000 -8.458 -2.386) 8.788 13.959 ( 0.000 -1.473 -1.075) 1.824 14.649 ( 0.000 45.767 -3.185) 45.877 16.711 ( 0.000 -3.976 -3.147) 5.071 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.953 24.565 14.951) 28.773 1.670 ( 2.057 12.565 23.229) 26.489 2.590 ( 24.274 16.760 15.853) 33.488 3.104 ( 7.449 5.087 -5.508) 10.569 3.539 ( 9.900 24.253 3.339) 26.408 5.263 ( -0.446 3.015 -14.423) 14.741 6.633 ( -0.351 1.067 -1.771) 2.097 6.658 ( -2.545 -0.415 0.012) 2.579 8.127 ( -37.220 -13.123 -0.575) 39.470 8.983 ( 8.231 0.334 -2.705) 8.670 9.952 ( -1.307 -26.476 15.396) 30.655 10.510 ( 1.575 -7.597 2.646) 8.197 12.423 ( -10.126 -5.552 1.212) 11.611 13.113 ( -1.288 -4.090 -10.284) 11.142 13.677 ( -11.705 -11.281 -2.686) 16.476 13.970 ( 2.499 -2.563 -1.071) 3.736 15.213 ( 10.135 33.217 2.978) 34.856 16.743 ( 10.317 -4.362 -7.811) 13.656 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 5.884 21.042 11.148) 24.529 1.973 ( 8.418 14.246 17.645) 24.190 3.187 ( 18.118 7.975 -1.624) 19.862 3.325 ( 15.149 13.060 -7.302) 21.293 4.071 ( 19.357 22.157 11.964) 31.761 5.249 ( -0.200 4.673 -11.563) 12.473 6.575 ( -3.766 -3.101 0.291) 4.887 6.648 ( 0.141 2.826 -4.101) 4.983 7.397 ( -31.799 -6.466 6.252) 33.046 9.124 ( 9.004 -1.744 0.064) 9.172 9.741 ( -1.594 -20.826 13.860) 25.068 10.399 ( -8.085 -4.414 -9.671) 13.356 12.163 ( -13.179 -5.211 0.679) 14.188 12.937 ( -7.958 -8.818 -4.073) 12.557 13.337 ( -9.909 -11.610 -4.699) 15.971 13.983 ( 1.762 -1.766 -0.625) 2.572 15.602 ( 2.244 18.244 9.744) 20.805 16.883 ( 12.661 -4.410 -10.327) 16.923 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 8.588 19.066 7.169) 22.105 2.348 ( 12.002 13.350 11.376) 21.253 3.400 ( 6.305 5.151 -3.571) 8.890 3.777 ( 19.251 11.753 -16.201) 27.770 4.694 ( 21.168 17.430 15.973) 31.734 5.270 ( 1.036 4.783 -7.025) 8.562 6.482 ( -2.477 -3.556 2.932) 5.232 6.659 ( -2.181 4.193 -3.246) 5.733 6.983 ( -14.256 -0.397 8.292) 16.497 9.240 ( 7.586 -8.739 5.498) 12.812 9.568 ( -3.371 -11.016 6.550) 13.252 10.060 ( -16.992 -7.670 -14.638) 23.703 11.868 ( -14.996 -3.874 0.124) 15.489 12.651 ( -11.696 -10.017 0.228) 15.401 13.099 ( -3.554 -9.020 -5.855) 11.326 13.993 ( 0.334 0.540 -0.233) 0.677 15.768 ( -2.222 9.571 9.386) 13.588 16.989 ( 8.843 -6.320 -7.805) 13.382 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 5.561 17.382 4.095) 18.704 2.745 ( 15.425 11.079 5.343) 19.728 3.532 ( 4.438 4.873 -2.991) 7.238 4.061 ( 8.620 7.712 -20.820) 23.817 5.188 ( 9.540 10.168 8.487) 16.323 5.400 ( 12.354 5.755 7.151) 15.391 6.453 ( -0.830 -1.318 4.511) 4.772 6.611 ( -6.224 2.529 0.838) 6.770 6.907 ( 0.794 1.178 2.687) 3.039 9.158 ( -6.207 -15.952 4.398) 17.673 9.435 ( -4.043 -6.452 -9.117) 11.878 9.710 ( -7.283 -2.488 3.169) 8.324 11.574 ( -14.109 -2.395 -0.670) 14.326 12.355 ( -11.085 -8.533 0.279) 13.992 12.962 ( -1.122 -6.925 -5.268) 8.773 14.006 ( -1.322 3.975 -0.007) 4.189 15.811 ( -3.183 3.844 6.091) 7.875 17.010 ( 4.704 -8.263 -4.585) 10.556 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 1.621 13.752 1.713) 13.952 3.135 ( 15.916 8.814 -0.874) 18.215 3.641 ( 3.440 5.273 -1.806) 6.550 4.092 ( -3.674 6.015 -21.023) 22.173 5.388 ( 5.813 4.918 5.161) 9.198 5.760 ( 12.473 3.803 15.256) 20.069 6.367 ( -7.619 -3.975 -7.190) 11.205 6.524 ( -3.919 -1.550 0.876) 4.304 6.985 ( 4.535 1.700 0.343) 4.856 8.862 ( -8.637 -5.213 -4.133) 10.903 9.287 ( 1.013 -14.056 8.810) 16.620 9.716 ( -0.457 4.616 7.744) 9.027 11.338 ( -10.759 0.368 -1.435) 10.861 12.095 ( -8.722 -7.711 -0.874) 11.675 12.866 ( -0.869 -5.286 -5.681) 7.809 14.027 ( -3.207 7.744 0.108) 8.382 15.795 ( -1.936 -0.388 2.830) 3.451 16.967 ( 2.300 -9.228 -2.378) 9.803 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -2.417 9.673 -0.488) 9.982 3.445 ( 12.520 2.834 -6.816) 14.534 3.760 ( 3.822 7.749 -2.946) 9.129 3.957 ( -10.607 8.151 -14.876) 20.006 5.510 ( 0.208 0.640 2.831) 2.910 5.826 ( -11.261 -5.962 -3.869) 13.316 6.198 ( 3.409 -2.136 -2.666) 4.827 6.458 ( -0.669 -4.356 1.179) 4.562 7.076 ( 4.220 0.934 -1.448) 4.558 8.807 ( 1.344 2.701 7.043) 7.662 9.265 ( 7.186 -11.468 14.616) 19.919 9.786 ( -1.451 6.380 9.029) 11.150 11.203 ( -6.747 4.909 -1.696) 8.515 11.895 ( -4.152 -7.893 -1.944) 9.128 12.779 ( -0.945 -4.131 -7.162) 8.322 14.047 ( -5.272 10.625 0.180) 11.863 15.768 ( 0.452 -3.020 0.649) 3.122 16.899 ( 1.555 -9.244 -1.258) 9.458 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -5.669 6.155 -1.285) 8.466 3.500 ( -3.914 -1.324 -14.324) 14.908 3.808 ( -2.398 3.173 -5.150) 6.508 3.975 ( 3.488 15.085 -5.358) 16.384 5.255 ( -16.427 -4.033 -19.833) 26.066 5.648 ( -2.975 -3.463 2.325) 5.124 6.267 ( 3.463 -5.001 7.377) 9.562 6.421 ( 1.800 -5.578 1.356) 6.016 7.140 ( 3.533 -0.335 -1.934) 4.042 8.903 ( 1.177 1.898 11.381) 11.598 9.409 ( 11.869 -6.363 12.509) 18.380 9.875 ( 0.153 8.294 12.246) 14.791 11.189 ( -3.086 10.157 -1.274) 10.691 11.789 ( 2.499 -7.895 -2.273) 8.587 12.704 ( 0.105 -3.173 -8.822) 9.376 14.054 ( -6.961 11.547 0.201) 13.485 15.762 ( 2.649 -3.520 -0.091) 4.406 16.832 ( 1.835 -8.689 -1.064) 8.944 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -8.243 3.999 -0.391) 9.170 3.262 ( -14.391 -0.124 -13.327) 19.614 3.796 ( -1.887 1.393 -0.276) 2.362 4.157 ( 3.866 11.077 -11.554) 16.466 5.004 ( -2.599 4.924 -14.940) 15.944 5.518 ( -8.492 -5.681 3.271) 10.728 6.237 ( -2.063 -8.911 8.704) 12.626 6.418 ( 4.169 -6.136 0.733) 7.455 7.188 ( 3.973 -1.832 -0.978) 4.483 8.954 ( -0.978 0.621 9.914) 9.981 9.524 ( 1.994 -3.708 5.666) 7.059 10.091 ( 9.327 7.889 13.329) 18.080 11.284 ( 0.536 13.029 -0.801) 13.065 11.819 ( 9.614 -5.664 -0.683) 11.179 12.672 ( 3.451 -1.803 -9.713) 10.464 14.038 ( -7.477 10.327 0.126) 12.750 15.789 ( 3.319 -1.995 0.888) 3.973 16.781 ( 2.532 -7.821 -1.864) 8.430 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -0.000 20.674 19.022) 28.094 1.897 ( -0.000 16.055 11.720) 19.878 2.605 ( -0.000 21.479 12.399) 24.800 3.073 ( 0.000 7.657 -5.198) 9.255 3.736 ( 0.000 26.809 4.471) 27.180 5.266 ( 0.000 6.598 -13.723) 15.227 6.633 ( 0.000 1.036 -3.205) 3.368 6.683 ( -0.000 -1.169 0.407) 1.238 8.340 ( 0.000 -18.668 -12.247) 22.326 8.908 ( 0.000 6.318 -0.283) 6.324 9.655 ( -0.000 -36.530 23.352) 43.357 10.460 ( 0.000 0.576 0.052) 0.578 12.421 ( -0.000 -11.905 -0.219) 11.907 13.050 ( 0.000 -4.854 -7.880) 9.255 13.637 ( -0.000 -16.208 -4.302) 16.770 13.934 ( -0.000 -0.656 0.243) 0.700 15.516 ( 0.000 36.892 2.974) 37.011 16.549 ( 0.000 -8.183 -5.308) 9.753 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 0.329 13.368 13.543) 19.032 2.136 ( 2.662 20.848 13.080) 24.755 2.996 ( 13.884 18.332 -1.961) 23.079 3.219 ( 8.140 9.799 -4.919) 13.655 4.104 ( 9.039 25.125 9.244) 28.257 5.298 ( -1.176 10.123 -11.284) 15.205 6.622 ( -3.345 -2.446 -0.424) 4.165 6.641 ( 0.236 0.172 -2.698) 2.714 7.862 ( -24.278 -12.424 -4.463) 27.635 8.986 ( 2.666 0.678 1.740) 3.255 9.483 ( 7.023 -26.084 15.419) 31.104 10.444 ( -3.424 -0.612 -6.088) 7.012 12.245 ( -4.558 -11.900 -0.482) 12.752 12.938 ( -3.614 -7.219 -4.308) 9.151 13.352 ( -9.024 -17.762 -4.258) 20.373 13.937 ( 1.070 -0.216 -0.152) 1.102 15.865 ( -1.325 25.335 9.626) 27.134 16.551 ( 11.395 -7.995 -8.947) 16.547 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 6.906 13.469 10.515) 18.430 2.451 ( 4.371 20.601 9.644) 23.163 3.306 ( 8.590 7.231 -6.626) 13.038 3.542 ( 16.022 14.107 -10.224) 23.669 4.604 ( 15.979 20.096 13.029) 28.792 5.341 ( -2.773 11.513 -8.229) 14.421 6.517 ( -3.850 -2.842 1.720) 5.085 6.655 ( 2.134 -1.060 -1.567) 2.852 7.363 ( -22.290 -2.985 5.340) 23.114 9.036 ( 6.020 -8.569 4.918) 11.570 9.424 ( 4.660 -13.566 4.387) 15.000 10.224 ( -14.349 -5.269 -13.426) 20.345 12.037 ( -7.996 -8.029 0.911) 11.368 12.740 ( -8.928 -8.770 0.773) 12.539 13.024 ( -4.927 -15.282 -5.543) 16.987 13.970 ( 2.283 1.241 -0.645) 2.677 16.024 ( -7.280 14.312 12.280) 20.215 16.667 ( 13.697 -8.933 -9.843) 19.087 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 11.218 12.449 5.543) 17.651 2.761 ( 3.244 20.508 7.242) 21.990 3.465 ( 6.604 4.046 -6.645) 10.204 3.902 ( 13.358 12.082 -13.590) 22.563 5.122 ( 16.857 13.646 13.145) 25.361 5.376 ( -2.213 9.587 -4.024) 10.630 6.469 ( -0.946 -1.670 3.995) 4.432 6.679 ( 2.063 -2.068 1.977) 3.527 7.057 ( -14.350 0.744 8.430) 16.659 9.036 ( 3.450 -12.937 6.998) 15.108 9.378 ( 0.364 -7.172 -9.049) 11.552 9.820 ( -14.352 -6.796 -10.061) 18.799 11.796 ( -12.378 -4.679 2.066) 13.393 12.481 ( -11.380 -6.902 2.406) 13.526 12.844 ( 1.370 -11.755 -5.387) 13.003 14.038 ( 2.438 4.344 -0.750) 5.037 16.015 ( -9.872 7.416 9.128) 15.355 16.746 ( 10.338 -11.973 -6.692) 17.176 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 12.005 10.396 -0.778) 15.900 3.009 ( -0.119 17.788 5.188) 18.529 3.598 ( 6.465 4.597 -5.238) 9.506 4.132 ( 3.795 12.365 -14.426) 19.375 5.407 ( 0.321 8.455 2.730) 8.891 5.585 ( 15.754 4.173 11.003) 19.664 6.413 ( -3.903 -5.319 -0.894) 6.658 6.652 ( -6.918 -0.685 4.454) 8.257 6.945 ( -0.879 -1.009 6.639) 6.772 8.928 ( -5.540 -6.613 -0.285) 8.631 9.177 ( -3.048 -10.151 -8.435) 13.545 9.687 ( 3.543 -3.190 1.196) 4.916 11.555 ( -11.893 -0.685 2.830) 12.244 12.218 ( -12.384 -5.269 1.656) 13.560 12.763 ( 2.470 -8.420 -5.310) 10.257 14.138 ( 1.361 8.984 -0.631) 9.109 15.912 ( -9.515 1.766 5.162) 10.968 16.746 ( 7.364 -14.347 -3.792) 16.566 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.123 ( -4.123 12.427 -1.719) 13.206 3.266 ( 10.979 6.316 -1.152) 12.718 3.756 ( 4.953 9.388 -5.472) 11.942 4.193 ( -6.415 15.002 -11.881) 20.184 5.508 ( 2.316 3.096 4.661) 6.056 5.857 ( 6.583 -3.586 9.409) 12.030 6.172 ( -10.854 -6.372 -14.729) 19.374 6.498 ( -7.406 -3.728 7.057) 10.888 6.989 ( 4.404 -3.189 3.765) 6.614 8.839 ( 0.026 2.465 3.117) 3.974 9.099 ( 4.285 -7.666 3.610) 9.496 9.758 ( 6.673 -3.693 1.038) 7.697 11.411 ( -8.239 5.693 3.596) 10.640 11.955 ( -11.321 -5.800 1.097) 12.768 12.702 ( 1.013 -6.009 -6.719) 9.071 14.254 ( -1.757 14.202 -0.310) 14.314 15.774 ( -5.927 -3.400 1.989) 7.116 16.700 ( 5.927 -15.265 -1.914) 16.487 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( -5.969 6.831 -2.462) 9.400 3.469 ( 5.640 5.589 -3.946) 8.867 3.866 ( -2.120 9.550 -10.916) 14.658 4.190 ( -7.288 18.256 -5.079) 20.302 5.464 ( -14.989 -2.000 -12.276) 19.477 5.666 ( -5.088 -4.664 -1.606) 7.086 6.117 ( 7.041 -7.711 3.383) 10.976 6.392 ( -2.859 -5.519 9.352) 11.229 7.039 ( 4.838 -5.300 2.215) 7.510 8.933 ( 2.213 3.004 6.825) 7.779 9.210 ( 10.727 -0.157 8.513) 13.696 9.840 ( 7.574 -4.793 0.226) 8.966 11.412 ( -4.509 13.693 4.624) 15.140 11.726 ( -6.918 -7.611 0.995) 10.333 12.627 ( 0.114 -5.066 -8.552) 9.941 14.342 ( -7.046 17.467 0.070) 18.835 15.674 ( 0.335 -6.194 0.130) 6.204 16.641 ( 5.638 -15.087 -0.914) 16.131 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( -7.157 4.019 -1.294) 8.310 3.509 ( -9.264 10.018 -7.869) 15.751 3.821 ( -3.088 2.363 -7.373) 8.335 4.277 ( -3.567 18.219 -6.422) 19.644 5.124 ( -11.304 5.098 -16.836) 20.909 5.588 ( -3.901 -4.993 4.650) 7.860 6.126 ( 3.707 -12.354 5.389) 13.979 6.339 ( -0.423 -6.500 9.473) 11.496 7.068 ( 4.901 -7.251 2.438) 9.085 9.004 ( 0.492 3.169 4.709) 5.698 9.437 ( 7.668 1.256 6.788) 10.317 9.956 ( 11.873 -4.127 -0.280) 12.573 11.519 ( -7.272 15.816 2.194) 17.545 11.616 ( 5.679 -4.654 5.090) 8.934 12.556 ( 1.773 -4.872 -9.655) 10.959 14.347 ( -11.573 15.596 0.070) 19.422 15.677 ( 5.748 -3.763 0.137) 6.872 16.590 ( 5.916 -14.174 -0.725) 15.376 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.000 12.437 4.622) 13.268 2.316 ( -0.000 13.116 17.576) 21.930 3.091 ( 0.000 22.855 -6.485) 23.757 3.228 ( 0.000 10.055 -3.289) 10.580 4.311 ( 0.000 24.354 8.960) 25.950 5.405 ( 0.000 15.370 -9.531) 18.086 6.605 ( -0.000 -3.539 -0.819) 3.633 6.636 ( -0.000 -3.048 -1.098) 3.240 7.842 ( 0.000 -19.521 -14.578) 24.364 9.098 ( 0.000 10.851 3.344) 11.355 9.174 ( -0.000 -25.302 19.128) 31.719 10.460 ( 0.000 0.246 -5.421) 5.426 12.114 ( -0.000 -16.806 -2.690) 17.020 12.887 ( -0.000 -6.864 -3.056) 7.513 13.222 ( -0.000 -20.648 -4.845) 21.209 13.933 ( -0.000 -0.162 1.330) 1.340 16.170 ( 0.000 22.899 10.331) 25.121 16.332 ( 0.000 -8.093 -7.730) 11.191 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 2.567 11.560 6.728) 13.620 2.560 ( 6.576 12.772 11.058) 18.129 3.279 ( 1.986 13.098 -8.708) 15.853 3.426 ( 10.172 13.229 -5.365) 17.529 4.648 ( 7.420 21.465 10.002) 24.816 5.522 ( -3.117 17.836 -7.646) 19.655 6.541 ( -1.560 -6.889 0.858) 7.115 6.586 ( 0.375 -4.713 1.531) 4.969 7.551 ( -6.937 -13.172 -7.919) 16.862 8.956 ( -3.390 -10.385 11.121) 15.589 9.274 ( 3.625 1.640 3.342) 5.196 10.350 ( -9.326 -3.210 -10.418) 14.347 11.956 ( 2.330 -15.123 -1.791) 15.406 12.777 ( -3.681 -6.936 -1.203) 7.944 12.929 ( -6.196 -20.075 -3.226) 21.256 13.950 ( 1.548 1.096 0.692) 2.019 16.279 ( 2.756 -6.778 6.930) 10.078 16.392 ( 0.765 13.371 -3.249) 13.781 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 7.003 11.213 6.122) 14.569 2.879 ( 9.429 15.155 7.676) 19.429 3.383 ( 2.795 6.122 -9.606) 11.729 3.753 ( 13.722 12.198 -6.164) 19.367 5.046 ( 11.562 15.680 9.464) 21.659 5.585 ( -6.771 16.274 -5.874) 18.579 6.452 ( 0.123 -9.386 3.608) 10.056 6.584 ( 3.712 -4.576 6.865) 9.046 7.299 ( -9.538 -5.566 0.418) 11.051 8.889 ( 2.070 -7.017 4.598) 8.640 9.306 ( -1.400 0.110 -2.294) 2.689 9.997 ( -17.584 -6.813 -14.388) 23.719 11.852 ( -0.863 -10.286 0.308) 10.326 12.607 ( -8.300 -6.005 2.908) 10.650 12.662 ( 0.044 -16.140 -3.832) 16.589 14.023 ( 3.631 4.055 -0.256) 5.449 16.268 ( -1.832 -3.884 7.439) 8.590 16.465 ( 1.170 0.763 -3.995) 4.232 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 9.104 9.436 2.890) 13.426 3.211 ( 3.256 18.388 6.005) 19.616 3.467 ( 8.215 2.267 -8.784) 12.238 4.085 ( 11.655 12.272 -6.270) 18.049 5.412 ( 12.410 7.786 8.083) 16.732 5.588 ( -7.181 12.426 -2.513) 14.570 6.362 ( 0.794 -13.936 5.267) 14.919 6.659 ( 3.763 -2.033 8.025) 9.094 7.096 ( -10.456 -2.003 4.622) 11.606 8.896 ( 2.797 -2.514 -0.028) 3.761 9.159 ( -9.655 -5.642 -12.961) 17.119 9.657 ( -6.646 -4.086 -4.925) 9.226 11.703 ( -6.308 -5.385 2.294) 8.606 12.389 ( -10.640 -5.966 1.078) 12.246 12.580 ( 5.327 -9.569 -1.640) 11.074 14.159 ( 5.066 8.058 -0.713) 9.545 16.163 ( -10.841 0.088 6.568) 12.676 16.445 ( 5.302 -11.872 -4.231) 13.673 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 8.516 7.099 -2.057) 11.275 3.330 ( -3.512 8.602 1.776) 9.459 3.720 ( 10.889 13.195 -3.710) 17.505 4.343 ( 4.136 14.771 -6.817) 16.786 5.576 ( -4.321 6.212 1.763) 7.770 5.683 ( 10.653 -1.024 7.125) 12.856 6.208 ( -4.543 -13.134 -1.505) 13.979 6.639 ( -6.840 -3.490 3.498) 8.438 6.945 ( -4.081 -4.068 7.033) 9.092 8.893 ( -4.229 1.981 -2.745) 5.417 8.970 ( 3.985 -2.768 -5.081) 7.026 9.597 ( 3.324 -4.981 -1.611) 6.201 11.585 ( -5.337 1.372 4.746) 7.273 12.125 ( -11.941 -6.581 0.280) 13.637 12.585 ( 3.382 -4.878 -3.080) 6.687 14.356 ( 5.296 12.943 -0.708) 14.003 15.947 ( -14.302 -1.314 3.496) 14.782 16.394 ( 7.400 -17.674 -2.476) 19.320 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( -2.163 4.837 -5.641) 7.740 3.415 ( 5.494 4.920 3.032) 7.973 3.990 ( 2.081 17.895 -6.768) 19.245 4.478 ( -4.532 17.910 -5.825) 19.371 5.565 ( -2.149 -0.261 2.585) 3.372 5.746 ( -5.902 -8.971 -0.199) 10.740 5.957 ( -1.886 -6.673 -8.253) 10.779 6.465 ( -7.169 -5.820 10.290) 13.825 6.903 ( 2.675 -8.324 5.694) 10.434 8.920 ( 3.937 2.092 0.709) 4.515 9.096 ( 8.054 6.317 3.031) 10.675 9.610 ( 6.700 -8.525 -3.974) 11.549 11.583 ( -2.456 5.773 8.226) 10.346 11.861 ( -10.420 -3.964 -1.259) 11.219 12.556 ( -0.396 -3.431 -5.268) 6.299 14.584 ( 1.738 18.228 -0.282) 18.313 15.692 ( -10.452 -5.315 0.912) 11.762 16.335 ( 8.164 -19.234 -1.006) 20.919 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -5.674 3.792 -1.931) 7.093 3.571 ( 5.989 3.613 -0.996) 7.065 4.048 ( -12.240 16.009 -10.932) 22.926 4.550 ( -6.194 19.471 -3.987) 20.818 5.358 ( -15.537 3.202 -14.916) 21.775 5.588 ( -0.504 -5.504 5.374) 7.709 5.931 ( 5.321 -12.736 3.414) 14.219 6.356 ( -3.745 -5.976 13.569) 15.292 6.893 ( 5.112 -11.076 5.004) 13.185 9.023 ( 3.389 5.311 -1.394) 6.453 9.353 ( 8.551 6.001 6.784) 12.456 9.641 ( 11.233 -10.053 -7.256) 16.730 11.542 ( -4.566 -8.885 7.154) 12.287 11.814 ( -1.246 16.811 1.833) 16.956 12.469 ( -2.000 -4.675 -6.773) 8.470 14.721 ( -9.631 18.647 0.097) 20.988 15.549 ( 2.157 -4.860 -0.232) 5.322 16.288 ( 8.808 -18.769 -0.192) 20.733 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 0.000 9.813 1.251) 9.893 2.641 ( -0.000 8.902 13.078) 15.820 3.405 ( 0.000 13.824 -9.851) 16.975 3.411 ( 0.000 9.452 -2.188) 9.702 4.839 ( 0.000 21.558 8.203) 23.066 5.727 ( 0.000 20.615 -6.808) 21.710 6.429 ( -0.000 -16.908 7.599) 18.537 6.557 ( -0.000 -3.539 -1.128) 3.714 7.398 ( 0.000 -13.865 -12.157) 18.440 8.912 ( -0.000 -9.761 8.093) 12.680 9.366 ( 0.000 11.842 4.555) 12.688 10.382 ( 0.000 -2.760 -9.554) 9.945 11.731 ( -0.000 -17.898 -3.594) 18.255 12.692 ( 0.000 -13.355 -8.913) 16.056 12.812 ( -0.000 -13.992 5.854) 15.167 13.940 ( -0.000 -0.209 1.441) 1.456 16.118 ( 0.000 -8.060 -4.687) 9.323 16.604 ( -0.000 13.011 9.048) 15.848 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 5.459 9.642 3.102) 11.506 2.835 ( 8.056 8.231 8.361) 14.232 3.437 ( -2.112 8.319 -6.352) 10.678 3.627 ( 10.638 9.142 -3.161) 14.378 5.112 ( 4.215 18.317 6.210) 19.795 5.859 ( -5.707 18.862 -6.551) 20.766 6.276 ( 2.235 -23.082 11.955) 26.091 6.535 ( 1.826 -1.795 2.255) 3.412 7.255 ( 1.111 -9.386 -8.477) 12.696 8.860 ( -0.946 -1.593 2.231) 2.900 9.435 ( -6.168 8.726 2.390) 10.950 10.172 ( -14.128 -5.519 -13.333) 20.195 11.636 ( 8.511 -14.314 -2.309) 16.812 12.478 ( -1.361 -17.303 -7.134) 18.766 12.686 ( -5.013 -7.054 7.580) 11.505 13.984 ( 4.184 1.551 0.768) 4.528 16.071 ( 5.007 -9.033 -3.747) 10.987 16.680 ( -7.114 8.113 7.764) 13.293 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 6.492 8.835 4.515) 11.857 3.163 ( 16.749 8.805 2.886) 19.141 3.450 ( -2.599 6.392 -3.780) 7.868 3.936 ( 14.872 8.243 -1.444) 17.065 5.375 ( 5.626 11.801 4.019) 13.677 5.868 ( -9.492 14.446 -5.296) 18.078 6.137 ( 4.725 -25.268 14.539) 29.533 6.607 ( 4.382 0.232 5.711) 7.203 7.160 ( -1.290 -5.750 -4.535) 7.436 8.864 ( 0.180 3.677 -2.522) 4.462 9.320 ( -13.753 2.143 -5.623) 15.012 9.787 ( -14.676 -4.251 -9.093) 17.780 11.649 ( 5.205 -8.577 -1.603) 10.160 12.304 ( 2.708 -14.958 -4.766) 15.930 12.553 ( -5.724 -4.286 7.739) 10.537 14.125 ( 7.216 5.875 0.030) 9.305 16.052 ( 5.707 -12.152 -2.427) 13.643 16.579 ( -13.430 3.552 5.302) 14.869 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 6.869 6.846 2.823) 10.101 3.423 ( 0.285 2.086 -5.865) 6.232 3.617 ( 15.061 14.520 5.278) 21.576 4.284 ( 14.319 9.287 -1.015) 17.097 5.562 ( 5.372 2.958 2.970) 6.814 5.797 ( -10.399 9.266 -3.175) 14.285 6.032 ( 4.983 -22.433 12.928) 26.367 6.666 ( 0.096 -2.273 2.145) 3.127 7.040 ( -6.105 -3.933 -1.383) 7.393 8.908 ( 0.197 3.404 -5.606) 6.562 9.030 ( -11.311 2.596 -8.016) 14.104 9.578 ( -5.626 -1.852 -0.733) 5.968 11.639 ( 1.004 -1.320 0.386) 1.703 12.157 ( -3.034 -13.715 -3.537) 14.485 12.503 ( 1.124 -1.893 4.879) 5.353 14.352 ( 8.758 11.056 -0.307) 14.108 16.000 ( 4.653 -14.738 -1.072) 15.492 16.335 ( -16.641 -1.137 2.624) 16.885 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( 5.217 5.357 -0.556) 7.498 3.417 ( -0.782 1.944 -0.543) 2.164 4.041 ( 12.167 16.633 0.677) 20.619 4.595 ( 8.434 12.288 -1.690) 14.999 5.631 ( 0.594 -4.357 3.092) 5.376 5.681 ( -5.776 -0.089 -0.318) 5.785 5.919 ( -1.011 -13.871 2.521) 14.134 6.555 ( -7.059 -5.572 -1.335) 9.092 6.873 ( -5.778 -5.956 1.948) 8.523 8.873 ( 1.408 1.903 -1.789) 2.968 9.080 ( 4.024 10.930 -1.837) 11.791 9.484 ( -1.646 -4.774 -0.966) 5.142 11.690 ( 0.925 5.807 4.653) 7.499 11.910 ( -6.779 -12.693 -3.936) 14.918 12.529 ( 0.979 -1.103 0.507) 1.559 14.650 ( 9.373 16.190 -0.299) 18.710 15.887 ( -6.534 -8.725 0.682) 10.922 16.038 ( -5.808 -13.024 -0.191) 14.261 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.315 ( -3.130 5.199 -1.122) 6.172 3.474 ( 5.747 0.375 -0.092) 5.760 4.330 ( -0.455 17.786 -4.570) 18.370 4.798 ( -0.623 15.836 -2.291) 16.013 5.534 ( -4.094 -2.812 -0.736) 5.021 5.575 ( -5.065 -7.582 1.687) 9.273 5.757 ( -1.432 -8.974 -4.129) 9.982 6.400 ( -3.058 -6.888 8.375) 11.267 6.750 ( -0.534 -9.424 3.069) 9.925 8.978 ( 5.644 5.327 -3.198) 8.394 9.309 ( 7.942 10.082 4.197) 13.503 9.409 ( 1.457 -7.132 -4.052) 8.331 11.601 ( -9.109 -10.987 5.600) 15.332 11.880 ( 6.132 9.236 -3.071) 11.504 12.493 ( -3.659 -1.282 -1.160) 4.047 14.982 ( 4.902 20.803 0.052) 21.373 15.591 ( -14.278 -4.443 -0.204) 14.954 15.919 ( 9.089 -21.006 0.017) 22.888 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 0.000 7.335 0.739) 7.372 2.887 ( -0.000 7.633 10.492) 12.975 3.542 ( 0.000 5.334 -3.775) 6.535 3.570 ( 0.000 7.451 -1.934) 7.698 5.281 ( 0.000 17.119 3.449) 17.463 6.033 ( -0.000 -28.265 17.633) 33.314 6.088 ( 0.000 17.214 -6.687) 18.467 6.488 ( -0.000 -2.750 0.036) 2.750 7.125 ( 0.000 -6.099 -7.674) 9.802 8.879 ( 0.000 3.881 -3.036) 4.928 9.608 ( 0.000 8.849 2.461) 9.184 10.223 ( 0.000 -4.304 -13.770) 14.427 11.370 ( -0.000 -14.831 -2.212) 14.995 12.296 ( -0.000 -16.312 -6.099) 17.414 12.690 ( -0.000 -6.557 8.582) 10.800 13.943 ( -0.000 -0.319 0.908) 0.963 15.946 ( 0.000 -5.783 -3.532) 6.776 16.840 ( -0.000 4.878 7.418) 8.878 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 8.429 6.477 1.847) 10.789 3.040 ( 5.719 6.847 8.241) 12.146 3.542 ( -1.844 4.861 -0.802) 5.261 3.757 ( 11.625 5.120 -0.451) 12.710 5.451 ( 1.334 10.918 1.290) 11.075 5.831 ( 3.801 -29.256 20.632) 36.001 6.150 ( -7.855 13.535 -6.678) 17.015 6.529 ( 5.601 -0.542 1.111) 5.736 7.075 ( 1.522 -3.228 -5.128) 6.248 8.917 ( -0.501 7.620 -6.594) 10.089 9.584 ( -11.776 4.494 -2.730) 12.897 9.981 ( -13.893 -3.114 -11.156) 18.088 11.365 ( 12.606 -10.160 -2.429) 16.372 12.118 ( -0.199 -13.852 -3.640) 14.323 12.623 ( -3.880 -5.275 9.005) 11.134 14.020 ( 8.053 1.555 0.435) 8.213 15.890 ( 0.901 -6.344 -2.547) 6.895 16.825 ( -8.150 1.935 5.562) 10.055 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 6.659 4.629 4.573) 9.311 3.297 ( 12.434 5.671 -1.081) 13.709 3.600 ( 3.124 6.345 6.173) 9.387 4.065 ( 17.108 4.571 1.183) 17.748 5.534 ( 2.812 -3.928 4.690) 6.733 5.739 ( 5.376 -17.700 14.834) 23.711 6.079 ( -10.681 9.134 -4.835) 14.862 6.608 ( 3.620 -2.586 -1.771) 4.789 7.053 ( -0.764 -1.225 -3.007) 3.336 8.964 ( -1.001 8.164 -7.771) 11.316 9.280 ( -17.664 1.227 -10.973) 20.831 9.737 ( -11.460 1.501 1.228) 11.623 11.504 ( 11.120 -3.291 -3.984) 12.262 11.991 ( 1.889 -13.012 -3.010) 13.488 12.534 ( -3.832 -3.585 8.866) 10.302 14.249 ( 13.010 5.907 0.094) 14.288 15.813 ( 0.086 -9.282 -1.522) 9.407 16.641 ( -15.243 -0.250 3.354) 15.610 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.190 ( 6.036 1.953 3.820) 7.406 3.449 ( 0.947 4.818 -3.402) 5.974 3.909 ( 17.610 8.589 8.328) 21.289 4.436 ( 18.085 5.371 2.154) 18.988 5.542 ( 4.755 -10.484 8.320) 14.203 5.705 ( 1.462 -10.607 3.843) 11.376 5.931 ( -11.698 3.557 -1.745) 12.351 6.563 ( -1.890 -5.860 -7.569) 9.757 6.955 ( -7.821 -2.102 -3.959) 9.014 8.931 ( -4.467 3.277 -2.065) 5.912 9.156 ( -0.886 12.268 -7.188) 14.247 9.567 ( -10.089 -0.266 3.830) 10.795 11.659 ( 7.685 3.997 -5.000) 10.002 11.854 ( -1.888 -13.103 -0.904) 13.269 12.498 ( 0.251 -2.795 5.728) 6.379 14.582 ( 14.883 10.806 -0.049) 18.393 15.700 ( 0.545 -12.627 -0.583) 12.652 16.322 ( -20.269 -1.791 1.404) 20.396 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.000 4.211 1.176) 4.372 3.111 ( -0.000 6.112 13.165) 14.515 3.601 ( -0.000 2.029 1.674) 2.630 3.685 ( 0.000 5.194 -1.831) 5.507 5.459 ( -0.000 -17.830 12.940) 22.031 5.653 ( -0.000 -4.025 10.041) 10.818 6.343 ( 0.000 11.927 -9.038) 14.965 6.449 ( -0.000 -1.544 1.362) 2.059 7.034 ( 0.000 -0.005 -1.968) 1.968 8.976 ( 0.000 8.927 -10.127) 13.500 9.740 ( 0.000 3.710 -1.767) 4.109 10.037 ( 0.000 -2.262 -17.569) 17.714 11.124 ( -0.000 -8.532 0.939) 8.584 11.991 ( -0.000 -10.546 -1.892) 10.714 12.637 ( -0.000 -5.079 9.589) 10.851 13.941 ( -0.000 -0.311 0.284) 0.421 15.839 ( 0.000 -2.976 -1.700) 3.427 16.925 ( -0.000 -0.100 4.331) 4.332 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 9.306 2.209 1.169) 9.636 3.233 ( 3.313 4.169 12.634) 13.711 3.638 ( 0.631 3.897 4.021) 5.635 3.838 ( 11.980 3.404 -0.085) 12.454 5.314 ( 4.766 -25.846 21.087) 33.696 5.691 ( -0.127 3.068 0.382) 3.094 6.307 ( -8.032 6.249 -5.381) 11.512 6.509 ( 3.704 -0.626 -3.758) 5.313 7.051 ( 0.714 1.795 0.422) 1.977 9.024 ( -0.222 7.874 -11.603) 14.024 9.562 ( -17.087 0.509 -11.623) 20.672 9.935 ( -5.693 3.011 -4.732) 7.991 11.205 ( 14.171 -3.969 -1.697) 14.813 11.876 ( -1.904 -8.234 -0.967) 8.506 12.595 ( -3.105 -4.028 9.847) 11.083 14.049 ( 11.687 0.940 0.052) 11.725 15.785 ( -2.787 -2.809 -0.830) 4.043 16.854 ( -8.385 -1.488 2.691) 8.931 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 7.465 -0.984 2.476) 7.926 3.426 ( 8.252 5.305 4.230) 10.683 3.752 ( 7.502 2.355 10.024) 12.740 4.153 ( 18.523 3.611 2.244) 19.005 5.277 ( 9.228 -20.073 20.039) 29.827 5.682 ( -1.939 -0.685 -2.970) 3.612 6.166 ( -11.434 2.804 -4.990) 12.787 6.489 ( -0.498 -4.386 -8.690) 9.747 7.054 ( -4.150 1.471 -0.742) 4.465 9.014 ( -3.027 2.460 -8.603) 9.446 9.312 ( -7.830 9.300 -10.043) 15.769 9.818 ( -11.918 4.021 4.103) 13.231 11.468 ( 16.662 2.957 -5.327) 17.741 11.742 ( -2.689 -9.339 -2.365) 10.002 12.531 ( -3.665 -2.971 9.475) 10.585 14.343 ( 18.624 2.749 -0.073) 18.826 15.675 ( -5.558 -3.336 -0.128) 6.483 16.629 ( -15.582 -2.095 1.210) 15.769 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -0.000 0.591 1.446) 1.562 3.281 ( -0.000 -1.862 18.156) 18.251 3.698 ( -0.000 6.909 4.384) 8.182 3.754 ( 0.000 2.863 -1.600) 3.279 5.094 ( -0.000 -22.910 23.258) 32.647 5.715 ( 0.000 0.975 -2.293) 2.492 6.439 ( 0.000 4.384 -10.327) 11.219 6.443 ( -0.000 -0.284 2.253) 2.270 7.071 ( -0.000 2.798 2.226) 3.576 9.051 ( 0.000 5.736 -13.536) 14.701 9.740 ( 0.000 -0.872 -5.183) 5.256 9.923 ( 0.000 4.959 -19.933) 20.541 11.041 ( -0.000 -1.360 3.506) 3.761 11.847 ( -0.000 -3.418 1.209) 3.626 12.620 ( -0.000 -3.300 10.026) 10.555 13.934 ( -0.000 -0.371 -0.136) 0.395 15.800 ( 0.000 -0.332 -0.216) 0.396 16.916 ( -0.000 -2.420 1.763) 2.994 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( 8.274 -1.627 0.870) 8.477 3.337 ( 5.009 -4.646 15.604) 17.034 3.760 ( 0.045 3.620 4.408) 5.704 3.928 ( 12.107 6.285 3.287) 14.032 5.028 ( 5.775 -15.627 21.563) 27.250 5.683 ( -1.212 -3.093 -3.801) 5.048 6.340 ( -8.073 0.658 -4.971) 9.503 6.454 ( -1.307 -1.351 -5.353) 5.673 7.117 ( -0.256 2.970 2.449) 3.858 9.033 ( -1.340 1.682 -12.789) 12.969 9.530 ( -12.254 4.023 -10.339) 16.530 9.985 ( 0.172 6.184 -7.906) 10.039 11.183 ( 13.724 2.303 -0.131) 13.917 11.774 ( -6.226 -1.501 0.344) 6.414 12.603 ( -2.818 -1.867 10.111) 10.661 14.056 ( 13.430 -0.242 -0.170) 13.433 15.761 ( -4.388 0.521 0.091) 4.419 16.821 ( -8.291 -2.641 1.025) 8.762 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( -0.000 -3.224 1.173) 3.431 3.272 ( -0.000 -10.495 16.542) 19.590 3.777 ( 0.000 0.345 -1.252) 1.298 3.946 ( -0.000 11.046 10.141) 14.995 4.929 ( -0.000 -7.911 19.761) 21.285 5.628 ( 0.000 -7.204 -3.860) 8.173 6.379 ( 0.000 -2.996 -10.379) 10.803 6.469 ( -0.000 1.102 2.635) 2.856 7.159 ( -0.000 3.653 3.684) 5.188 9.007 ( 0.000 0.070 -14.058) 14.058 9.647 ( 0.000 -4.034 -5.960) 7.197 9.970 ( 0.000 13.083 -20.091) 23.976 11.108 ( -0.000 5.089 3.904) 6.414 11.860 ( -0.000 3.161 2.295) 3.906 12.655 ( -0.000 0.044 10.070) 10.070 13.924 ( 0.000 -0.529 -0.279) 0.598 15.811 ( 0.000 1.138 -0.106) 1.142 16.871 ( -0.000 -2.603 1.204) 2.867 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -0.000 0.000 24.505) 24.505 1.235 ( -0.000 0.000 24.505) 24.505 2.111 ( -0.000 0.000 45.845) 45.845 2.968 ( 0.000 -0.000 -5.994) 5.994 2.968 ( 0.000 -0.000 -5.994) 5.994 5.231 ( 0.000 -0.000 -17.865) 17.865 6.665 ( -0.000 0.000 2.263) 2.263 6.665 ( -0.000 0.000 2.263) 2.263 8.858 ( 0.000 -0.000 -4.142) 4.142 8.858 ( 0.000 -0.000 -4.142) 4.142 10.170 ( -0.000 0.000 0.603) 0.603 11.710 ( -0.000 0.000 3.799) 3.799 12.616 ( -0.000 0.000 2.614) 2.614 12.616 ( -0.000 0.000 2.614) 2.614 13.986 ( 0.000 -0.000 -1.338) 1.338 13.986 ( 0.000 -0.000 -1.338) 1.338 14.089 ( 0.000 -0.000 -2.741) 2.741 16.742 ( 0.000 -0.000 -0.437) 0.437 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 5.664 3.270 21.655) 22.621 1.567 ( 10.122 5.844 24.345) 27.005 2.407 ( 14.920 8.614 26.416) 31.537 3.027 ( 4.971 2.870 -5.455) 7.919 3.155 ( 17.488 10.097 1.424) 20.243 5.173 ( 0.579 0.334 -17.930) 17.943 6.644 ( -1.325 -0.765 1.957) 2.484 6.665 ( -1.553 -0.897 0.909) 2.011 8.450 ( -30.061 -17.355 -0.180) 34.711 8.942 ( 5.603 3.235 -3.779) 7.493 10.185 ( -0.831 -0.480 1.433) 1.724 10.959 ( -31.527 -18.202 14.799) 39.297 12.506 ( -7.811 -4.510 2.391) 9.331 13.056 ( 8.867 5.120 -10.799) 14.882 13.840 ( -10.553 -6.093 -1.263) 12.250 14.007 ( 0.813 0.469 -1.159) 1.491 14.591 ( 35.078 20.252 -1.480) 40.531 16.753 ( 2.578 1.488 -3.859) 4.874 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 13.291 7.673 15.098) 21.528 1.861 ( 8.990 5.191 24.029) 26.176 2.940 ( 24.607 14.207 -2.161) 28.496 3.150 ( 6.730 3.885 -4.655) 9.058 3.718 ( 26.385 15.233 13.588) 33.360 5.141 ( 1.994 1.151 -15.636) 15.805 6.617 ( -2.135 -1.233 -1.245) 2.762 6.618 ( -1.333 -0.770 1.134) 1.912 7.671 ( -32.561 -18.799 6.346) 38.130 9.087 ( 7.518 4.340 -2.480) 9.028 10.084 ( -9.156 -5.286 10.732) 15.064 10.513 ( -13.187 -7.614 -2.282) 15.397 12.278 ( -11.863 -6.849 1.591) 13.791 13.034 ( -4.808 -2.776 -8.002) 9.739 13.527 ( -14.259 -8.232 -1.780) 16.561 14.013 ( -0.028 -0.016 -0.724) 0.724 15.293 ( 21.257 12.273 6.049) 25.279 16.849 ( 7.273 4.199 -10.112) 13.145 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 14.946 8.629 9.648) 19.772 2.188 ( 12.685 7.323 17.437) 22.773 3.297 ( 6.842 3.950 -3.781) 8.759 3.468 ( 22.188 12.810 -15.790) 30.095 4.411 ( 26.656 15.390 17.277) 35.297 5.163 ( 4.070 2.350 -10.928) 11.895 6.560 ( -2.442 -1.410 -0.811) 2.934 6.589 ( -1.261 -0.728 -0.002) 1.456 7.101 ( -17.276 -9.975 9.732) 22.196 9.265 ( 7.859 4.538 -0.415) 9.085 9.862 ( -13.880 -8.013 14.409) 21.552 10.169 ( -14.222 -8.211 -13.931) 21.535 11.978 ( -13.657 -7.885 0.355) 15.773 12.822 ( -11.332 -6.543 -2.347) 13.294 13.227 ( -9.485 -5.476 -4.092) 11.692 14.002 ( -0.770 -0.445 -0.279) 0.932 15.645 ( 7.666 4.426 9.957) 13.323 16.984 ( 6.623 3.824 -10.901) 13.316 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 13.141 7.587 5.710) 16.213 2.566 ( 15.084 8.709 10.006) 20.087 3.436 ( 5.961 3.441 -2.701) 7.394 3.831 ( 13.662 7.888 -21.448) 26.625 5.012 ( 17.497 10.102 10.246) 22.653 5.293 ( 10.943 6.318 2.214) 12.828 6.509 ( -2.283 -1.318 4.149) 4.916 6.558 ( -1.220 -0.705 -1.141) 1.813 6.913 ( -2.713 -1.567 6.021) 6.788 9.440 ( 6.518 3.763 2.011) 7.791 9.469 ( -20.784 -12.000 -6.875) 24.965 9.836 ( -11.400 -6.582 5.478) 14.258 11.660 ( -12.972 -7.489 -1.157) 15.023 12.522 ( -13.015 -7.514 -0.198) 15.030 13.047 ( -5.154 -2.976 -5.198) 7.901 13.979 ( -1.047 -0.605 0.029) 1.210 15.776 ( 1.651 0.953 7.851) 8.079 17.060 ( 2.578 1.489 -7.767) 8.318 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 9.436 5.448 2.528) 11.185 2.953 ( 15.664 9.044 2.983) 18.331 3.556 ( 4.871 2.812 -1.172) 5.745 3.941 ( 2.788 1.610 -23.201) 23.423 5.296 ( 8.887 5.131 2.967) 10.682 5.690 ( 15.310 8.839 15.932) 23.798 6.427 ( -6.818 -3.936 -3.415) 8.582 6.525 ( -1.171 -0.676 -1.991) 2.407 6.944 ( 2.884 1.665 2.182) 3.981 8.980 ( -14.824 -8.558 -10.017) 19.833 9.576 ( 4.051 2.339 4.165) 6.263 9.651 ( -8.338 -4.814 18.657) 20.994 11.378 ( -10.154 -5.863 -2.612) 12.013 12.234 ( -11.022 -6.363 -1.203) 12.784 12.926 ( -3.837 -2.215 -5.785) 7.286 13.956 ( -0.846 -0.488 0.175) 0.992 15.806 ( -0.422 -0.244 4.356) 4.383 17.056 ( -0.817 -0.472 -4.657) 4.752 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 4.882 2.819 -0.059) 5.637 3.308 ( 14.372 8.298 -4.793) 17.273 3.658 ( 3.879 2.240 0.539) 4.512 3.839 ( -3.799 -2.193 -19.747) 20.229 5.488 ( 5.028 2.903 4.018) 7.060 5.932 ( -7.126 -4.114 2.698) 8.660 6.200 ( -0.615 -0.355 -6.807) 6.844 6.492 ( -0.885 -0.511 -2.450) 2.655 7.026 ( 3.654 2.110 -1.232) 4.395 8.801 ( -0.011 -0.006 4.396) 4.396 9.583 ( -3.431 -1.981 23.764) 24.092 9.657 ( 1.361 0.786 5.511) 5.731 11.177 ( -5.940 -3.429 -3.603) 7.747 12.008 ( -7.513 -4.338 -2.735) 9.096 12.819 ( -3.364 -1.942 -7.122) 8.113 13.941 ( -0.508 -0.293 0.220) 0.626 15.802 ( -0.597 -0.345 1.595) 1.738 17.002 ( -2.437 -1.407 -2.568) 3.809 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 0.611 0.353 -1.399) 1.567 3.486 ( -0.368 -0.212 -19.858) 19.862 3.738 ( 2.496 1.441 1.501) 3.250 3.755 ( 5.760 3.326 -6.465) 9.275 5.331 ( -17.502 -10.105 -19.556) 28.122 5.698 ( -1.962 -1.133 0.144) 2.270 6.328 ( 3.759 2.170 9.893) 10.803 6.470 ( -0.158 -0.091 -2.621) 2.628 7.099 ( 3.211 1.854 -3.183) 4.887 8.908 ( 3.945 2.278 13.014) 13.788 9.680 ( -1.092 -0.631 6.008) 6.139 9.684 ( 5.010 2.893 24.880) 25.544 11.081 ( -0.938 -0.542 -3.983) 4.128 11.873 ( -2.811 -1.623 -3.457) 4.742 12.721 ( -2.447 -1.413 -8.811) 9.253 13.932 ( -0.381 -0.220 0.241) 0.501 15.798 ( 0.107 0.062 0.122) 0.174 16.934 ( -2.671 -1.542 -1.434) 3.402 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -0.000 16.245 21.737) 27.136 1.630 ( -0.000 14.340 16.628) 21.957 2.431 ( -0.000 3.408 27.922) 28.129 2.938 ( 0.000 3.334 -6.111) 6.961 3.225 ( 0.000 23.442 2.980) 23.631 5.118 ( 0.000 2.514 -18.788) 18.955 6.636 ( -0.000 -2.150 0.884) 2.324 6.696 ( -0.000 0.166 1.459) 1.468 8.666 ( -0.000 -15.489 -5.877) 16.567 8.819 ( 0.000 1.915 -2.338) 3.022 10.179 ( -0.000 -2.990 1.762) 3.470 10.890 ( -0.000 -46.981 16.591) 49.825 12.602 ( -0.000 -5.426 1.214) 5.560 12.997 ( 0.000 10.108 -8.981) 13.521 13.891 ( -0.000 -9.327 -2.208) 9.585 13.951 ( 0.000 -1.043 -0.541) 1.175 14.620 ( 0.000 45.929 -2.503) 45.997 16.688 ( -0.000 -5.436 -1.434) 5.622 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.843 20.587 14.895) 25.425 1.906 ( 5.096 10.533 21.245) 24.254 2.696 ( 15.483 10.541 3.698) 19.092 3.048 ( 7.603 5.121 -4.835) 10.363 3.619 ( 13.077 25.357 11.985) 30.946 5.094 ( 0.369 5.013 -17.101) 17.824 6.619 ( -0.056 -0.800 -0.448) 0.919 6.664 ( -3.298 -1.035 0.586) 3.506 8.124 ( -31.415 -14.933 -0.014) 34.783 8.952 ( 8.490 1.373 -3.033) 9.120 10.085 ( -1.393 -17.546 9.866) 20.178 10.543 ( -4.333 -17.281 3.411) 18.140 12.434 ( -9.729 -6.400 0.976) 11.686 13.016 ( -0.587 -2.251 -7.854) 8.191 13.656 ( -11.468 -12.309 -1.373) 16.879 13.959 ( 2.370 -2.259 -1.016) 3.428 15.239 ( 13.905 36.485 1.843) 39.088 16.675 ( 6.816 -5.636 -5.235) 10.278 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 5.030 19.408 10.114) 22.456 2.176 ( 6.351 10.148 19.887) 23.212 3.124 ( 18.428 9.101 -10.649) 23.148 3.245 ( 10.084 10.224 -6.456) 15.745 4.227 ( 21.356 21.476 16.375) 34.430 5.116 ( 1.367 6.890 -13.267) 15.012 6.580 ( -3.647 -2.534 0.461) 4.465 6.619 ( -0.012 1.342 -1.570) 2.066 7.471 ( -28.290 -7.018 7.648) 30.134 9.114 ( 10.064 -0.035 -1.835) 10.230 9.889 ( -2.131 -22.519 13.738) 26.465 10.287 ( -11.995 -6.361 -11.490) 17.786 12.173 ( -13.253 -5.437 1.245) 14.379 12.893 ( -5.837 -6.385 -3.980) 9.522 13.302 ( -11.144 -12.979 -2.047) 17.229 13.975 ( 2.043 -1.768 -0.907) 2.849 15.705 ( 3.538 19.952 9.635) 22.438 16.770 ( 11.971 -4.075 -10.786) 16.620 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 7.155 17.720 6.470) 20.175 2.482 ( 9.514 10.512 13.561) 19.619 3.354 ( 7.611 4.466 -5.351) 10.320 3.598 ( 15.767 12.498 -16.645) 26.112 4.858 ( 20.176 16.487 13.687) 29.432 5.197 ( 5.077 6.654 -5.800) 10.183 6.514 ( -1.336 -2.188 2.755) 3.763 6.632 ( -1.187 3.864 -1.874) 4.455 7.081 ( -15.529 -0.788 10.273) 18.636 9.278 ( 10.233 -4.001 1.616) 11.106 9.607 ( -11.141 -18.281 -1.548) 21.464 9.946 ( -11.119 -8.065 -4.374) 14.416 11.875 ( -15.833 -3.308 1.141) 16.215 12.653 ( -11.310 -8.723 0.407) 14.289 13.043 ( -3.904 -9.592 -4.647) 11.351 13.988 ( 0.676 0.399 -0.607) 0.992 15.872 ( -3.777 9.320 10.211) 14.331 16.893 ( 10.407 -4.902 -10.206) 15.378 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 4.837 16.253 3.048) 17.229 2.810 ( 12.126 9.115 6.678) 16.575 3.497 ( 5.820 3.964 -3.697) 7.954 3.847 ( 6.208 9.688 -18.762) 22.009 5.229 ( 6.649 9.267 0.301) 11.409 5.513 ( 19.050 7.219 12.949) 24.139 6.476 ( -3.093 -2.460 -0.055) 3.952 6.612 ( -6.011 4.108 -0.748) 7.319 6.959 ( -2.692 0.901 7.061) 7.611 9.122 ( -16.387 -12.221 -10.274) 22.879 9.402 ( 7.372 -9.572 2.785) 12.398 9.777 ( -1.729 -5.626 8.726) 10.525 11.574 ( -15.541 -1.119 0.719) 15.598 12.359 ( -12.028 -8.001 0.735) 14.465 12.904 ( -1.204 -7.014 -5.809) 9.186 14.005 ( -1.025 3.785 -0.334) 3.936 15.879 ( -5.131 3.138 6.642) 8.961 16.949 ( 6.250 -6.981 -6.885) 11.628 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 0.766 13.152 0.457) 13.183 3.126 ( 12.754 7.062 -0.935) 14.608 3.616 ( 4.679 3.736 -3.277) 6.826 3.891 ( -4.038 9.370 -15.813) 18.819 5.432 ( 6.864 5.589 3.094) 9.377 5.914 ( 12.613 2.004 13.346) 18.472 6.249 ( -14.230 -6.749 -14.633) 21.498 6.532 ( -4.930 1.376 0.653) 5.160 6.997 ( 2.096 1.792 1.979) 3.394 8.835 ( -3.823 -1.552 -0.409) 4.146 9.406 ( 6.179 -16.422 12.217) 21.381 9.795 ( 1.608 1.075 7.327) 7.578 11.331 ( -12.495 2.260 0.255) 12.700 12.088 ( -9.968 -6.940 -0.391) 12.152 12.798 ( -1.269 -5.509 -7.143) 9.109 14.027 ( -2.991 7.598 -0.114) 8.166 15.827 ( -3.403 -0.996 3.118) 4.721 16.933 ( 3.336 -8.348 -4.062) 9.865 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -2.856 9.368 -1.048) 9.850 3.356 ( 7.761 3.177 -10.123) 13.145 3.703 ( 2.534 3.788 -7.382) 8.675 3.855 ( -5.957 12.369 -4.318) 14.392 5.491 ( -12.012 -3.965 -9.189) 15.635 5.729 ( -8.612 -4.055 -8.719) 12.909 6.236 ( 9.715 -2.063 7.135) 12.229 6.476 ( -2.477 -0.590 2.349) 3.464 7.061 ( 2.717 1.775 -1.327) 3.507 8.903 ( 4.677 3.513 10.677) 12.174 9.421 ( 9.319 -14.828 14.420) 22.686 9.873 ( 1.756 3.056 7.128) 7.952 11.195 ( -8.509 7.414 0.092) 11.286 11.878 ( -5.350 -6.658 -1.126) 8.615 12.694 ( -1.449 -4.466 -8.841) 10.010 14.049 ( -5.153 10.569 0.065) 11.758 15.776 ( -0.309 -3.398 0.792) 3.502 16.880 ( 2.088 -8.728 -2.145) 9.227 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -0.000 13.189 6.869) 14.871 2.053 ( -0.000 20.404 20.444) 28.884 2.685 ( 0.000 12.507 2.328) 12.722 3.024 ( 0.000 8.386 -3.728) 9.177 3.822 ( 0.000 27.224 11.726) 29.642 5.106 ( 0.000 9.358 -16.227) 18.732 6.610 ( 0.000 -0.122 -1.211) 1.217 6.684 ( -0.000 -1.853 -0.306) 1.878 8.212 ( 0.000 -21.747 -12.011) 24.843 8.914 ( 0.000 7.776 1.399) 7.900 9.872 ( -0.000 -31.530 17.807) 36.210 10.463 ( -0.000 -5.111 0.402) 5.126 12.412 ( -0.000 -12.885 -1.468) 12.968 12.976 ( 0.000 -3.000 -6.026) 6.732 13.596 ( -0.000 -17.127 -3.397) 17.461 13.940 ( -0.000 -0.182 0.940) 0.957 15.527 ( 0.000 40.444 -0.599) 40.448 16.520 ( -0.000 -9.411 -0.429) 9.421 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 2.211 14.158 5.422) 15.321 2.317 ( 1.074 15.281 19.468) 24.772 2.931 ( 10.891 15.309 -9.847) 21.212 3.176 ( 7.180 9.888 -2.905) 12.560 4.230 ( 10.754 24.167 13.831) 29.850 5.164 ( -0.545 12.994 -13.630) 18.839 6.611 ( -0.080 -0.577 -1.396) 1.513 6.624 ( -2.739 -1.690 -0.753) 3.305 7.805 ( -15.750 -14.899 -6.181) 22.544 9.003 ( 1.311 4.676 1.792) 5.176 9.653 ( 3.130 -28.751 16.410) 33.252 10.372 ( -6.792 -2.854 -7.543) 10.544 12.237 ( -3.267 -12.565 -1.090) 13.029 12.893 ( -2.804 -5.198 -4.016) 7.142 13.318 ( -8.486 -18.729 -2.344) 20.695 13.938 ( 0.167 0.236 0.331) 0.440 15.941 ( 2.864 28.693 4.161) 29.134 16.483 ( 7.149 -9.264 -3.281) 12.153 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 6.477 13.235 6.233) 15.999 2.573 ( 3.341 16.580 13.172) 21.437 3.206 ( 10.130 7.613 -11.987) 17.443 3.455 ( 11.986 14.099 -5.673) 19.355 4.748 ( 16.912 18.311 13.703) 28.445 5.242 ( -1.438 13.665 -10.163) 17.090 6.535 ( -2.352 -2.234 1.449) 3.553 6.641 ( 1.777 1.239 -1.004) 2.388 7.410 ( -16.557 -4.897 3.406) 17.598 9.079 ( 5.696 -3.642 2.975) 7.387 9.486 ( 0.579 -20.754 7.085) 21.938 10.084 ( -15.320 -6.278 -12.510) 20.751 12.046 ( -6.948 -8.151 0.727) 10.735 12.741 ( -7.107 -6.608 -0.399) 9.713 12.980 ( -6.162 -16.290 -2.791) 17.639 13.965 ( 1.920 1.424 -0.423) 2.428 16.152 ( -7.836 15.302 11.708) 20.800 16.560 ( 13.890 -8.581 -10.242) 19.274 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( 8.664 12.014 3.039) 15.121 2.848 ( 2.769 18.061 9.155) 20.437 3.380 ( 8.605 3.240 -9.241) 13.037 3.783 ( 9.981 14.510 -8.602) 19.600 5.243 ( 12.498 13.795 7.423) 20.040 5.338 ( 5.325 9.046 -0.861) 10.532 6.498 ( -1.468 -1.996 1.493) 2.893 6.692 ( 1.387 2.163 0.359) 2.594 7.145 ( -12.695 -0.703 8.135) 15.094 9.121 ( 4.157 -14.429 8.636) 17.322 9.252 ( -7.309 -9.078 -13.996) 18.213 9.757 ( -6.163 -7.806 -1.984) 10.142 11.819 ( -11.908 -4.313 2.138) 12.844 12.505 ( -11.803 -6.252 2.341) 13.560 12.789 ( 0.988 -11.405 -4.904) 12.454 14.030 ( 2.438 4.297 -0.635) 4.981 16.112 ( -11.906 6.611 9.128) 16.395 16.666 ( 11.750 -10.396 -8.273) 17.736 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 6.767 11.194 -3.288) 13.488 3.080 ( 1.389 14.825 7.290) 16.579 3.531 ( 7.858 4.275 -7.114) 11.429 4.006 ( 1.619 15.108 -8.902) 17.610 5.420 ( 2.500 9.193 -0.034) 9.527 5.700 ( 17.000 2.466 10.222) 19.990 6.373 ( -9.852 -6.000 -6.547) 13.263 6.676 ( -6.346 1.752 0.154) 6.585 7.021 ( -3.508 -0.680 7.530) 8.335 8.896 ( -7.344 -4.000 -4.686) 9.586 9.165 ( 6.355 -14.549 5.028) 16.654 9.698 ( 4.773 -5.643 1.194) 7.487 11.589 ( -11.953 0.278 3.468) 12.449 12.236 ( -13.038 -4.942 1.863) 14.067 12.702 ( 1.570 -7.855 -6.168) 10.110 14.131 ( 1.547 8.857 -0.536) 9.007 15.966 ( -11.257 0.969 5.001) 12.356 16.698 ( 8.438 -13.062 -5.175) 16.388 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( -1.257 9.396 -4.780) 10.617 3.276 ( 4.889 9.363 2.233) 10.796 3.681 ( 3.968 8.455 -8.184) 12.418 4.099 ( -5.511 16.784 -5.753) 18.579 5.543 ( 1.911 3.036 1.767) 4.000 5.892 ( -13.729 -7.285 -8.001) 17.481 6.046 ( 4.779 -4.049 -3.066) 6.974 6.568 ( -6.362 -0.701 5.620) 8.518 7.023 ( 1.782 -1.521 2.790) 3.643 8.888 ( 4.266 3.258 6.184) 8.189 9.170 ( 8.093 -12.409 9.234) 17.457 9.754 ( 7.679 -6.389 -1.399) 10.087 11.456 ( -8.741 7.344 4.753) 12.366 11.968 ( -11.835 -5.274 1.465) 13.039 12.624 ( -0.084 -5.609 -8.001) 9.771 14.251 ( -1.503 14.142 -0.238) 14.223 15.795 ( -7.129 -3.957 1.892) 8.370 16.674 ( 6.626 -14.378 -2.855) 16.087 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 0.000 11.466 0.344) 11.471 2.506 ( -0.000 10.107 17.396) 20.119 3.003 ( 0.000 20.844 -9.149) 22.764 3.203 ( 0.000 10.233 -1.347) 10.321 4.426 ( -0.000 23.140 12.301) 26.207 5.287 ( 0.000 18.302 -12.431) 22.125 6.597 ( 0.000 -1.387 -0.715) 1.560 6.623 ( -0.000 -3.252 -1.242) 3.481 7.681 ( 0.000 -19.276 -15.592) 24.793 9.138 ( 0.000 11.660 4.082) 12.354 9.378 ( -0.000 -28.513 19.256) 34.406 10.395 ( 0.000 -1.698 -7.074) 7.275 12.081 ( -0.000 -17.332 -3.297) 17.643 12.849 ( 0.000 -6.112 -3.811) 7.203 13.186 ( -0.000 -19.854 -1.981) 19.953 13.949 ( -0.000 -0.076 1.642) 1.644 16.129 ( 0.000 14.590 -11.726) 18.718 16.402 ( -0.000 1.692 14.527) 14.626 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 5.446 11.306 1.793) 12.677 2.681 ( 4.228 9.719 10.093) 14.636 3.183 ( 1.093 14.921 -7.563) 16.764 3.392 ( 9.036 12.208 -1.284) 15.243 4.761 ( 7.983 19.306 10.926) 23.575 5.423 ( -2.786 20.078 -10.815) 22.976 6.545 ( -1.868 -4.281 0.157) 4.674 6.603 ( 1.838 -2.476 1.378) 3.377 7.449 ( -1.158 -13.196 -10.974) 17.202 9.088 ( -6.115 -9.008 13.095) 17.030 9.318 ( 2.408 -4.272 5.118) 7.089 10.232 ( -11.771 -4.663 -11.828) 17.327 11.935 ( 3.838 -15.370 -2.084) 15.978 12.739 ( -2.030 -9.051 -4.837) 10.461 12.929 ( -6.863 -16.245 2.216) 17.774 13.959 ( 0.820 1.151 0.959) 1.708 16.218 ( 9.994 -5.144 -10.813) 15.596 16.490 ( -6.853 12.556 14.008) 20.021 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 6.908 10.718 3.946) 13.348 2.950 ( 10.105 13.128 4.441) 17.151 3.289 ( 1.219 7.785 -6.209) 10.032 3.713 ( 12.131 13.138 -1.466) 17.942 5.143 ( 12.146 12.953 8.717) 19.781 5.508 ( -5.441 17.882 -8.536) 20.548 6.484 ( -0.167 -5.958 2.429) 6.437 6.647 ( 4.251 -1.347 4.779) 6.537 7.281 ( -3.734 -7.404 -3.728) 9.091 8.969 ( 0.165 -11.565 10.239) 15.448 9.271 ( -6.340 -0.997 -4.464) 7.818 9.861 ( -15.269 -6.581 -10.968) 19.919 11.850 ( 0.550 -10.845 -0.588) 10.875 12.577 ( -1.089 -12.110 -4.736) 13.048 12.687 ( -7.276 -8.349 4.861) 12.094 14.022 ( 3.113 4.125 0.112) 5.169 16.281 ( 8.835 -11.254 -4.716) 15.065 16.482 ( -10.141 8.553 6.930) 14.967 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 6.934 9.448 1.302) 11.792 3.280 ( 1.921 17.687 7.023) 19.127 3.374 ( 9.756 2.930 -8.360) 13.178 4.041 ( 9.470 13.904 -2.080) 16.951 5.490 ( 13.300 5.227 6.535) 15.714 5.550 ( -4.769 13.351 -4.606) 14.907 6.400 ( -2.553 -9.601 1.883) 10.112 6.718 ( 1.528 -0.909 2.930) 3.427 7.130 ( -6.094 -4.544 1.699) 7.789 8.923 ( 2.141 -7.606 4.648) 9.167 9.032 ( -10.378 -4.492 -9.777) 14.949 9.625 ( -3.187 -3.794 -1.356) 5.137 11.721 ( -4.535 -5.811 0.888) 7.425 12.393 ( -7.943 -9.037 0.020) 12.031 12.571 ( 0.950 -5.324 -0.324) 5.418 14.154 ( 4.832 8.106 -0.249) 9.440 16.218 ( -8.030 -3.809 3.201) 9.447 16.407 ( 1.834 -7.695 -2.391) 8.264 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( 4.694 7.965 -3.238) 9.796 3.366 ( -0.857 5.194 4.652) 7.025 3.674 ( 8.744 16.560 -5.043) 19.394 4.292 ( 2.381 16.180 -2.741) 16.583 5.582 ( -2.077 6.353 -0.698) 6.720 5.751 ( 12.052 -2.794 5.482) 13.532 6.151 ( -14.404 -9.509 -8.938) 19.437 6.668 ( -4.428 -3.399 1.602) 5.807 7.008 ( -2.696 -5.349 4.607) 7.557 8.875 ( 0.041 0.516 0.324) 0.611 8.967 ( 6.562 -4.334 3.533) 8.621 9.582 ( 2.435 -5.350 -1.102) 5.981 11.626 ( -3.568 1.538 2.759) 4.765 12.132 ( -11.270 -8.446 1.294) 14.143 12.549 ( 0.677 -2.453 -3.841) 4.608 14.351 ( 5.299 12.977 -0.230) 14.019 15.980 ( -15.192 -2.265 2.611) 15.580 16.365 ( 7.758 -16.451 -2.904) 18.419 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 0.000 10.291 -1.330) 10.376 2.756 ( -0.000 7.856 6.800) 10.391 3.341 ( 0.000 14.448 -0.523) 14.458 3.395 ( 0.000 9.099 -0.756) 9.131 4.926 ( 0.000 19.107 7.893) 20.674 5.634 ( 0.000 22.363 -10.465) 24.690 6.499 ( -0.000 -10.926 5.312) 12.148 6.548 ( -0.000 -3.202 -0.584) 3.255 7.261 ( 0.000 -11.176 -13.437) 17.477 9.018 ( -0.000 -17.131 11.928) 20.875 9.410 ( 0.000 11.472 3.621) 12.030 10.266 ( 0.000 -4.291 -12.261) 12.990 11.695 ( -0.000 -17.661 -3.055) 17.923 12.607 ( -0.000 -15.108 -6.764) 16.553 12.876 ( -0.000 -10.168 5.973) 11.792 13.955 ( -0.000 -0.421 1.344) 1.408 16.046 ( 0.000 -5.122 -8.140) 9.618 16.720 ( -0.000 10.311 12.036) 15.849 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 7.860 9.918 0.865) 12.684 2.897 ( 5.186 8.668 2.169) 10.332 3.404 ( -2.810 8.989 1.112) 9.483 3.620 ( 10.818 9.200 2.107) 14.356 5.171 ( 4.412 15.677 4.836) 16.989 5.771 ( -5.259 20.064 -9.958) 23.008 6.387 ( 0.803 -15.705 8.513) 17.882 6.563 ( 4.634 -2.239 3.021) 5.968 7.156 ( 2.664 -7.495 -10.032) 12.803 8.906 ( -0.777 -9.087 6.647) 11.286 9.452 ( -8.306 7.911 0.427) 11.479 10.028 ( -14.016 -5.651 -13.682) 20.386 11.611 ( 8.883 -14.400 -2.325) 17.078 12.413 ( -0.594 -16.051 -4.917) 16.798 12.766 ( -5.296 -6.239 7.275) 10.950 13.992 ( 3.820 1.389 0.768) 4.137 16.018 ( 5.429 -7.194 -5.983) 10.817 16.772 ( -7.980 6.225 9.131) 13.630 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 6.440 9.348 4.315) 12.144 3.150 ( 13.875 7.849 -5.019) 16.713 3.460 ( -1.373 8.859 5.171) 10.349 3.944 ( 14.137 8.627 3.066) 16.843 5.408 ( 6.157 9.385 2.140) 11.426 5.797 ( -8.097 15.356 -8.008) 19.118 6.277 ( 2.338 -18.706 11.471) 22.067 6.657 ( 5.201 -1.901 3.479) 6.539 7.099 ( 0.869 -5.260 -6.849) 8.679 8.859 ( 0.289 -2.175 1.684) 2.766 9.243 ( -17.434 0.126 -8.360) 19.335 9.721 ( -10.430 -0.886 -3.622) 11.076 11.624 ( 6.151 -9.401 -2.963) 11.619 12.262 ( 2.501 -14.306 -3.151) 14.860 12.632 ( -6.520 -3.397 7.072) 10.201 14.127 ( 6.939 5.838 0.332) 9.074 16.015 ( 6.322 -10.994 -4.203) 13.360 16.639 ( -14.649 2.349 5.852) 15.949 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 0.000 8.161 -0.508) 8.176 2.970 ( 0.000 10.058 4.338) 10.953 3.554 ( 0.000 7.061 -1.001) 7.131 3.563 ( -0.000 4.807 8.401) 9.679 5.308 ( 0.000 14.838 1.549) 14.919 5.989 ( 0.000 18.653 -11.109) 21.710 6.216 ( -0.000 -23.170 15.458) 27.853 6.493 ( -0.000 -2.282 0.865) 2.441 7.047 ( 0.000 -3.006 -6.881) 7.509 8.863 ( -0.000 -2.743 0.380) 2.770 9.622 ( 0.000 7.551 0.132) 7.552 10.058 ( 0.000 -5.462 -17.404) 18.241 11.355 ( -0.000 -13.862 -0.584) 13.875 12.246 ( -0.000 -15.000 -3.116) 15.320 12.779 ( -0.000 -5.756 8.022) 9.874 13.951 ( -0.000 -0.585 0.631) 0.860 15.903 ( 0.000 -4.165 -4.469) 6.108 16.921 ( -0.000 2.939 7.583) 8.133 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 9.999 6.569 0.922) 11.999 3.105 ( 1.846 10.323 3.702) 11.121 3.569 ( -1.205 5.315 4.955) 7.366 3.778 ( 12.259 3.678 5.460) 13.915 5.453 ( 1.394 10.074 -0.943) 10.214 6.012 ( -1.359 -9.658 3.360) 10.315 6.094 ( -2.521 -1.257 5.661) 6.323 6.535 ( 5.564 -2.217 0.155) 5.992 7.027 ( 1.143 -0.309 -3.716) 3.900 8.856 ( 0.117 2.617 -4.272) 5.011 9.522 ( -15.986 0.632 -8.942) 18.328 9.877 ( -6.965 0.091 -8.495) 10.985 11.342 ( 10.798 -10.053 -1.770) 14.859 12.092 ( -0.290 -12.939 -1.307) 13.008 12.715 ( -4.045 -4.550 8.376) 10.355 14.025 ( 7.981 1.371 0.311) 8.103 15.860 ( 0.938 -4.995 -3.058) 5.931 16.883 ( -8.553 0.296 5.213) 10.021 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 0.000 4.769 0.698) 4.820 3.235 ( -0.000 11.023 9.385) 14.478 3.668 ( 0.000 4.988 -1.318) 5.160 3.668 ( -0.000 -0.808 11.551) 11.579 5.513 ( 0.000 2.552 -0.261) 2.566 5.823 ( -0.000 -22.130 18.291) 28.710 6.237 ( 0.000 11.494 -9.831) 15.125 6.467 ( -0.000 -1.252 2.072) 2.420 7.022 ( 0.000 2.236 -0.352) 2.263 8.873 ( 0.000 5.404 -8.805) 10.331 9.708 ( 0.000 2.446 -4.072) 4.750 9.827 ( 0.000 -2.670 -21.859) 22.021 11.143 ( -0.000 -7.532 2.589) 7.965 11.987 ( -0.000 -9.587 0.992) 9.638 12.735 ( -0.000 -4.495 8.677) 9.773 13.942 ( -0.000 -0.487 0.036) 0.488 15.820 ( 0.000 -1.868 -1.763) 2.569 16.969 ( -0.000 -1.575 3.732) 4.051 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.000 0.000 20.114) 20.114 1.472 ( -0.000 0.000 20.114) 20.114 2.573 ( -0.000 0.000 41.085) 41.085 2.901 ( 0.000 -0.000 -6.459) 6.459 2.901 ( 0.000 -0.000 -6.459) 6.459 5.024 ( 0.000 -0.000 -20.842) 20.842 6.688 ( -0.000 0.000 2.058) 2.058 6.688 ( -0.000 0.000 2.058) 2.058 8.816 ( 0.000 -0.000 -3.677) 3.677 8.816 ( 0.000 -0.000 -3.677) 3.677 10.179 ( -0.000 0.000 1.137) 1.137 11.746 ( -0.000 0.000 2.960) 2.960 12.642 ( -0.000 0.000 2.300) 2.300 12.642 ( -0.000 0.000 2.300) 2.300 13.972 ( 0.000 -0.000 -1.205) 1.205 13.972 ( 0.000 -0.000 -1.205) 1.205 14.061 ( 0.000 -0.000 -2.414) 2.414 16.737 ( 0.000 -0.000 -0.386) 0.386 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 3.973 2.294 19.023) 19.568 1.796 ( 12.766 7.370 18.464) 23.627 2.605 ( 2.008 1.159 10.136) 10.398 2.965 ( 5.401 3.118 -6.030) 8.675 3.237 ( 22.416 12.942 14.613) 29.724 4.970 ( 1.653 0.954 -19.885) 19.976 6.665 ( -1.547 -0.893 2.054) 2.722 6.675 ( -2.316 -1.337 0.919) 2.827 8.452 ( -26.865 -15.510 0.818) 31.032 8.900 ( 5.861 3.384 -4.095) 7.910 10.198 ( 0.373 0.216 1.117) 1.197 11.084 ( -32.636 -18.842 8.799) 38.698 12.533 ( -7.967 -4.599 2.733) 9.596 12.964 ( 7.223 4.170 -6.804) 10.763 13.831 ( -10.470 -6.045 -0.478) 12.100 13.993 ( 0.937 0.541 -1.425) 1.789 14.578 ( 36.574 21.116 -0.971) 42.243 16.720 ( -0.131 -0.076 -2.552) 2.556 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 10.788 6.229 14.436) 19.068 2.108 ( 8.022 4.632 22.324) 24.170 2.860 ( 18.531 10.699 -11.785) 24.428 3.098 ( 7.249 4.185 -5.024) 9.762 3.894 ( 27.242 15.728 17.918) 36.201 4.970 ( 3.982 2.299 -16.056) 16.701 6.611 ( -2.770 -1.599 -0.222) 3.207 6.632 ( -1.809 -1.045 1.470) 2.555 7.749 ( -30.189 -17.430 8.419) 35.862 9.055 ( 8.309 4.797 -3.544) 10.228 10.172 ( -3.789 -2.187 5.686) 7.174 10.487 ( -21.700 -12.528 -2.449) 25.176 12.300 ( -12.359 -7.135 2.508) 14.489 12.960 ( -3.326 -1.920 -5.673) 6.851 13.518 ( -14.901 -8.603 -0.056) 17.206 14.003 ( 0.228 0.132 -1.251) 1.279 15.355 ( 24.980 14.422 5.722) 29.406 16.747 ( 4.565 2.635 -9.094) 10.511 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 12.870 7.431 9.488) 17.631 2.377 ( 9.396 5.425 17.719) 20.777 3.257 ( 7.376 4.259 -3.676) 9.277 3.281 ( 20.104 11.607 -18.984) 29.988 4.581 ( 25.219 14.560 13.237) 31.988 5.057 ( 7.753 4.476 -7.910) 11.946 6.563 ( -1.230 -0.710 1.011) 1.743 6.592 ( -1.861 -1.074 0.471) 2.199 7.217 ( -17.521 -10.116 12.211) 23.631 9.252 ( 9.069 5.236 -2.089) 10.678 9.934 ( -23.123 -13.350 -8.136) 27.912 10.086 ( -6.479 -3.741 5.374) 9.212 11.989 ( -14.429 -8.331 1.709) 16.748 12.801 ( -9.346 -5.396 -1.416) 10.885 13.195 ( -11.117 -6.418 -2.156) 13.017 13.995 ( -0.501 -0.289 -0.900) 1.070 15.755 ( 7.705 4.448 10.785) 13.981 16.859 ( 7.437 4.294 -12.748) 15.370 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 11.530 6.657 5.223) 14.301 2.675 ( 11.646 6.724 10.046) 16.786 3.411 ( 6.567 3.791 -2.010) 7.844 3.605 ( 12.584 7.266 -20.591) 25.202 5.051 ( 12.762 7.368 -1.911) 14.860 5.373 ( 18.827 10.870 11.839) 24.754 6.540 ( -2.592 -1.496 1.509) 3.352 6.549 ( -1.773 -1.024 -0.645) 2.147 6.999 ( -5.304 -3.063 10.044) 11.764 9.331 ( -22.423 -12.946 -16.022) 30.448 9.451 ( 7.893 4.557 0.006) 9.114 9.961 ( -7.375 -4.258 15.089) 17.326 11.656 ( -13.909 -8.031 0.411) 16.067 12.526 ( -13.152 -7.593 1.195) 15.233 12.993 ( -5.736 -3.312 -5.148) 8.389 13.976 ( -0.835 -0.482 -0.538) 1.105 15.863 ( -0.081 -0.047 8.544) 8.545 16.965 ( 4.569 2.638 -10.155) 11.444 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 8.177 4.721 1.691) 9.592 2.980 ( 12.271 7.085 1.627) 14.263 3.549 ( 5.535 3.195 -0.127) 6.392 3.713 ( 3.134 1.810 -18.970) 19.312 5.314 ( 10.744 6.203 0.518) 12.416 5.853 ( 16.066 9.276 14.367) 23.464 6.354 ( -13.469 -7.776 -10.262) 18.633 6.506 ( -1.552 -0.896 -1.551) 2.370 6.983 ( 0.361 0.209 5.081) 5.098 8.894 ( -9.122 -5.266 -5.674) 11.964 9.611 ( 5.241 3.026 2.249) 6.457 9.859 ( -6.223 -3.593 19.734) 21.002 11.358 ( -11.031 -6.369 -1.164) 12.791 12.229 ( -11.944 -6.896 0.373) 13.797 12.858 ( -4.282 -2.472 -6.941) 8.522 13.956 ( -0.707 -0.408 -0.248) 0.853 15.854 ( -2.016 -1.164 4.656) 5.206 16.996 ( 0.798 0.461 -6.529) 6.593 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.000 15.777 19.076) 24.754 1.776 ( -0.000 10.995 10.481) 15.190 2.638 ( -0.000 -4.364 10.442) 11.318 2.879 ( 0.000 4.046 -4.640) 6.156 3.316 ( -0.000 26.122 14.326) 29.793 4.910 ( 0.000 3.835 -19.745) 20.114 6.650 ( -0.000 -3.268 1.580) 3.630 6.708 ( -0.000 -0.451 0.660) 0.800 8.605 ( -0.000 -17.963 -5.666) 18.836 8.802 ( 0.000 3.201 -0.723) 3.281 10.195 ( -0.000 -0.845 1.341) 1.585 11.035 ( -0.000 -44.722 10.931) 46.039 12.609 ( -0.000 -6.402 0.067) 6.402 12.923 ( 0.000 8.327 -4.998) 9.712 13.869 ( -0.000 -10.000 -1.965) 10.191 13.948 ( -0.000 -0.460 0.111) 0.473 14.596 ( 0.000 45.758 -1.868) 45.796 16.678 ( -0.000 -5.701 -0.450) 5.718 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -0.788 16.159 11.352) 19.764 2.115 ( 8.814 11.795 17.791) 23.094 2.678 ( 7.136 5.840 -5.990) 10.996 3.003 ( 7.127 5.899 -3.721) 9.971 3.778 ( 15.098 24.539 16.473) 33.189 4.910 ( 1.431 6.691 -16.818) 18.156 6.621 ( -0.400 -2.121 0.510) 2.218 6.668 ( -3.043 -1.631 0.106) 3.454 8.126 ( -24.705 -17.491 0.282) 30.272 8.923 ( 7.282 2.800 -2.364) 8.152 10.165 ( -0.160 -8.447 5.429) 10.042 10.577 ( -10.761 -25.554 2.759) 27.865 12.443 ( -8.502 -7.620 0.627) 11.435 12.949 ( -0.481 -1.512 -4.898) 5.149 13.646 ( -10.524 -13.166 -0.597) 16.866 13.949 ( 1.676 -1.632 -0.743) 2.455 15.253 ( 17.511 38.230 0.981) 42.061 16.631 ( 2.873 -6.047 -2.989) 7.332 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 5.137 16.287 8.143) 18.920 2.386 ( 4.651 8.138 19.442) 21.583 2.973 ( 17.962 10.507 -16.850) 26.776 3.193 ( 7.599 9.161 -3.684) 12.460 4.393 ( 20.981 20.627 13.527) 32.383 4.982 ( 3.829 8.302 -10.901) 14.228 6.585 ( -2.724 -1.592 0.523) 3.198 6.610 ( -0.276 -0.533 -0.215) 0.637 7.557 ( -23.868 -8.713 8.444) 26.775 9.088 ( 10.212 1.185 -2.860) 10.671 10.024 ( -5.162 -23.977 10.697) 26.758 10.161 ( -13.047 -5.855 -11.188) 18.157 12.188 ( -12.749 -6.040 1.595) 14.197 12.858 ( -4.342 -4.995 -2.418) 7.046 13.290 ( -11.966 -14.101 -0.437) 18.499 13.964 ( 2.006 -1.506 -1.045) 2.718 15.804 ( 6.288 21.560 8.988) 24.190 16.657 ( 9.098 -4.140 -10.333) 14.376 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 6.527 15.509 4.841) 17.509 2.625 ( 6.678 8.517 12.704) 16.689 3.273 ( 12.195 3.954 -10.437) 16.531 3.453 ( 10.084 14.260 -9.342) 19.807 4.938 ( 12.956 15.606 -0.668) 20.294 5.189 ( 14.927 8.215 6.202) 18.132 6.536 ( -1.300 -2.013 1.433) 2.792 6.619 ( -0.810 3.133 -0.725) 3.316 7.198 ( -15.139 -1.972 11.689) 19.228 9.273 ( 11.543 -1.760 -2.736) 11.993 9.521 ( -20.719 -16.680 -12.468) 29.376 9.983 ( -1.730 -12.166 9.278) 15.398 11.891 ( -16.151 -3.136 1.851) 16.556 12.664 ( -10.531 -7.750 1.680) 13.183 12.999 ( -5.176 -10.622 -3.846) 12.426 13.980 ( 0.849 0.489 -0.893) 1.326 15.984 ( -5.227 8.837 10.791) 14.895 16.775 ( 11.535 -3.415 -12.132) 17.085 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 4.504 14.197 1.277) 14.949 2.876 ( 8.358 8.193 5.145) 12.785 3.448 ( 8.127 2.254 -5.463) 10.048 3.685 ( 3.599 12.804 -10.877) 17.181 5.213 ( 8.682 10.313 -2.942) 13.798 5.651 ( 20.250 6.570 12.487) 24.681 6.454 ( -7.350 -4.473 -4.183) 9.567 6.594 ( -5.678 4.048 -2.553) 7.426 7.050 ( -5.697 0.086 9.641) 11.199 9.000 ( -13.910 -8.670 -10.954) 19.714 9.440 ( 10.491 -6.706 2.757) 12.753 9.889 ( 0.842 -11.524 12.159) 16.773 11.588 ( -16.554 -0.030 1.824) 16.655 12.375 ( -12.882 -7.989 2.391) 15.346 12.839 ( -1.820 -7.320 -6.494) 9.954 13.999 ( -0.808 3.793 -0.610) 3.925 15.950 ( -7.077 2.235 6.698) 9.997 16.866 ( 7.822 -5.470 -8.547) 12.812 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 0.000 11.039 0.241) 11.041 2.269 ( -0.000 21.998 19.879) 29.650 2.658 ( 0.000 5.697 -6.783) 8.858 2.999 ( 0.000 9.060 -0.757) 9.092 3.968 ( -0.000 26.558 14.627) 30.319 4.933 ( 0.000 11.222 -15.640) 19.249 6.604 ( -0.000 -1.367 -0.091) 1.370 6.677 ( -0.000 -2.347 -0.951) 2.532 8.085 ( -0.000 -24.979 -11.822) 27.635 8.937 ( 0.000 9.003 2.835) 9.439 10.035 ( -0.000 -23.145 13.061) 26.576 10.466 ( -0.000 -12.888 0.012) 12.888 12.391 ( -0.000 -13.724 -2.446) 13.940 12.925 ( 0.000 -2.388 -3.479) 4.219 13.564 ( -0.000 -17.514 -2.658) 17.714 13.953 ( -0.000 0.191 1.444) 1.457 15.507 ( 0.000 40.195 -3.083) 40.313 16.536 ( -0.000 -7.495 3.276) 8.180 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 4.771 12.862 0.329) 13.722 2.523 ( 0.034 11.228 18.282) 21.455 2.803 ( 8.472 16.174 -12.917) 22.366 3.158 ( 6.278 10.314 -0.570) 12.088 4.379 ( 11.116 23.208 13.150) 28.898 5.019 ( 0.438 14.356 -12.880) 19.292 6.599 ( 0.291 -0.630 -0.923) 1.154 6.617 ( -2.527 -2.043 -0.612) 3.306 7.732 ( -7.737 -18.253 -7.556) 21.216 9.026 ( -0.719 7.439 2.523) 7.888 9.826 ( 0.584 -28.519 16.013) 32.712 10.283 ( -10.032 -4.895 -9.357) 14.565 12.223 ( -1.692 -13.179 -1.499) 13.371 12.858 ( -2.357 -4.672 -2.382) 5.749 13.299 ( -7.663 -18.777 -1.216) 20.317 13.944 ( -0.823 0.640 0.740) 1.278 15.947 ( 9.537 26.563 -2.820) 28.364 16.487 ( -0.049 -5.587 3.925) 6.828 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( 7.095 13.328 1.895) 15.218 2.705 ( 3.311 11.779 9.342) 15.394 3.081 ( 9.792 10.498 -9.118) 17.007 3.418 ( 9.294 14.262 -1.560) 17.095 4.876 ( 15.503 18.341 8.791) 25.574 5.140 ( 1.764 13.282 -7.513) 15.361 6.546 ( -1.414 -1.993 0.593) 2.514 6.634 ( 1.599 2.411 -0.392) 2.919 7.434 ( -9.623 -8.304 1.179) 12.765 9.099 ( 3.484 1.255 0.877) 3.806 9.556 ( -7.115 -23.987 4.669) 25.451 9.977 ( -10.959 -7.981 -6.353) 14.972 12.052 ( -5.722 -8.551 0.283) 10.293 12.736 ( -4.821 -6.160 -0.374) 7.831 12.962 ( -8.131 -16.221 -0.752) 18.160 13.962 ( 1.389 1.723 -0.147) 2.218 16.262 ( -3.168 15.975 7.978) 18.135 16.460 ( 8.425 -8.177 -7.492) 13.927 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 6.678 11.826 -0.524) 13.591 2.939 ( 3.024 16.083 6.424) 17.581 3.289 ( 9.443 3.664 -6.125) 11.837 3.722 ( 7.147 16.087 -3.106) 17.875 5.227 ( 2.867 15.967 -6.628) 17.525 5.408 ( 17.929 6.183 9.957) 21.420 6.501 ( -2.969 -2.363 -0.773) 3.872 6.683 ( -0.485 3.696 -2.041) 4.249 7.225 ( -9.088 -3.297 6.682) 11.752 9.100 ( -10.524 -8.242 -14.023) 19.373 9.208 ( 3.383 -11.697 7.401) 14.250 9.774 ( -0.687 -11.801 5.083) 12.867 11.839 ( -10.911 -4.390 1.557) 11.863 12.534 ( -11.554 -6.276 3.330) 13.564 12.738 ( -0.509 -11.004 -4.799) 12.016 14.025 ( 2.283 4.446 -0.420) 5.016 16.206 ( -13.769 5.217 8.412) 16.958 16.573 ( 12.864 -8.271 -9.153) 17.823 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.000 11.639 -4.148) 12.356 2.635 ( -0.000 5.220 2.683) 5.869 2.948 ( 0.000 24.005 3.117) 24.207 3.201 ( 0.000 9.930 0.989) 9.979 4.558 ( -0.000 21.600 11.789) 24.607 5.149 ( 0.000 19.701 -13.043) 23.627 6.588 ( 0.000 -0.387 -1.004) 1.076 6.610 ( -0.000 -3.137 -1.158) 3.344 7.516 ( 0.000 -19.726 -15.399) 25.025 9.182 ( 0.000 11.876 4.105) 12.565 9.580 ( -0.000 -29.379 18.904) 34.936 10.308 ( 0.000 -3.825 -9.384) 10.133 12.046 ( -0.000 -17.501 -3.325) 17.814 12.813 ( -0.000 -7.153 -2.696) 7.644 13.176 ( -0.000 -17.613 -0.236) 17.615 13.967 ( -0.000 -0.133 1.655) 1.661 15.999 ( 0.000 10.450 -12.247) 16.100 16.561 ( -0.000 6.860 15.042) 16.533 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 8.000 12.084 -2.094) 14.643 2.723 ( 3.988 7.675 -3.748) 9.426 3.168 ( -1.595 16.270 6.066) 17.437 3.397 ( 8.616 12.646 2.359) 15.483 4.872 ( 8.139 17.044 9.481) 21.134 5.298 ( -2.173 21.098 -12.190) 24.463 6.545 ( -1.360 -2.992 -0.310) 3.302 6.613 ( 2.424 -0.160 0.605) 2.503 7.325 ( 3.122 -13.716 -12.085) 18.545 9.212 ( -7.581 2.320 9.224) 12.163 9.394 ( 0.625 -18.581 9.933) 21.078 10.103 ( -12.538 -5.968 -12.313) 18.559 11.912 ( 4.935 -15.528 -2.141) 16.433 12.692 ( -1.486 -11.480 -3.662) 12.142 12.960 ( -6.787 -12.369 3.385) 14.509 13.970 ( 0.280 1.109 1.025) 1.536 16.100 ( 10.283 -1.923 -11.169) 15.303 16.638 ( -7.830 9.902 13.578) 18.539 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.000 11.563 -3.678) 12.134 2.762 ( 0.000 9.760 -5.145) 11.033 3.396 ( 0.000 8.397 0.792) 8.434 3.415 ( -0.000 14.429 13.916) 20.047 5.003 ( 0.000 16.147 6.389) 17.365 5.510 ( 0.000 23.312 -12.865) 26.627 6.538 ( -0.000 -5.974 1.926) 6.277 6.545 ( -0.000 -2.677 0.040) 2.677 7.121 ( 0.000 -8.650 -12.673) 15.343 9.162 ( -0.000 -22.847 15.185) 27.433 9.440 ( 0.000 10.515 2.004) 10.704 10.123 ( 0.000 -6.207 -14.748) 16.001 11.668 ( -0.000 -17.017 -1.922) 17.126 12.551 ( -0.000 -15.304 -3.718) 15.749 12.937 ( -0.000 -8.038 5.463) 9.719 13.968 ( -0.000 -0.688 1.023) 1.233 15.955 ( 0.000 -2.371 -8.805) 9.119 16.848 ( -0.000 7.658 11.766) 14.039 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -0.000 0.000 13.832) 13.832 1.654 ( -0.000 0.000 13.832) 13.832 2.837 ( 0.000 -0.000 -5.460) 5.460 2.837 ( 0.000 -0.000 -5.460) 5.460 2.966 ( -0.000 0.000 32.083) 32.083 4.803 ( 0.000 -0.000 -19.868) 19.868 6.707 ( -0.000 0.000 1.447) 1.447 6.707 ( -0.000 0.000 1.447) 1.447 8.783 ( 0.000 -0.000 -2.537) 2.537 8.783 ( 0.000 -0.000 -2.537) 2.537 10.192 ( -0.000 0.000 1.083) 1.083 11.772 ( -0.000 0.000 1.833) 1.833 12.663 ( -0.000 0.000 1.575) 1.575 12.663 ( -0.000 0.000 1.575) 1.575 13.961 ( 0.000 -0.000 -0.840) 0.840 13.961 ( 0.000 -0.000 -0.840) 0.840 14.039 ( 0.000 -0.000 -1.652) 1.652 16.734 ( 0.000 -0.000 -0.265) 0.265 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 3.606 2.082 14.280) 14.875 1.946 ( 15.469 8.931 9.320) 20.147 2.649 ( -4.556 -2.631 0.557) 5.291 2.903 ( 5.622 3.246 -5.439) 8.469 3.428 ( 22.346 12.901 18.218) 31.586 4.769 ( 2.747 1.586 -16.705) 17.004 6.681 ( -2.784 -1.608 0.175) 3.220 6.686 ( -1.564 -0.903 1.785) 2.540 8.469 ( -23.683 -13.673 2.287) 27.442 8.858 ( 5.644 3.259 -3.695) 7.492 10.208 ( 0.640 0.369 0.694) 1.013 11.149 ( -33.443 -19.308 3.591) 38.783 12.562 ( -7.765 -4.483 2.613) 9.340 12.909 ( 5.904 3.409 -3.753) 7.782 13.830 ( -10.138 -5.853 0.290) 11.710 13.978 ( 0.862 0.498 -1.455) 1.763 14.571 ( 37.768 21.805 -0.325) 43.612 16.697 ( -2.118 -1.223 -1.662) 2.957 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 9.226 5.327 11.604) 15.753 2.326 ( 10.006 5.777 18.165) 21.528 2.709 ( 13.262 7.657 -15.751) 21.968 3.047 ( 7.756 4.478 -4.453) 10.002 4.060 ( 25.922 14.966 11.275) 31.985 4.824 ( 6.306 3.641 -9.681) 12.114 6.609 ( -2.683 -1.549 -0.212) 3.105 6.648 ( -2.126 -1.228 1.572) 2.915 7.848 ( -27.421 -15.831 10.165) 33.254 9.014 ( 8.648 4.993 -4.002) 10.758 10.198 ( -2.742 -1.583 -1.162) 3.373 10.467 ( -25.245 -14.575 -1.043) 29.169 12.330 ( -12.536 -7.238 3.002) 14.784 12.916 ( -2.560 -1.478 -2.694) 4.000 13.524 ( -15.150 -8.747 1.089) 17.528 13.988 ( 0.363 0.209 -1.590) 1.644 15.413 ( 28.809 16.633 5.280) 33.683 16.658 ( 0.911 0.526 -7.706) 7.778 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 11.152 6.438 7.636) 14.971 2.552 ( 6.411 3.702 14.469) 16.253 3.080 ( 19.893 11.485 -18.007) 29.188 3.222 ( 8.022 4.631 -2.792) 9.674 4.646 ( 20.451 11.807 -2.477) 23.744 5.038 ( 14.200 8.198 5.711) 17.363 6.576 ( -0.423 -0.244 1.297) 1.386 6.599 ( -2.375 -1.371 0.881) 2.880 7.358 ( -17.448 -10.074 14.234) 24.668 9.223 ( 9.924 5.730 -3.399) 11.953 9.775 ( -24.876 -14.362 -17.681) 33.730 10.197 ( -4.969 -2.869 11.462) 12.818 12.013 ( -14.956 -8.635 2.764) 17.489 12.796 ( -7.638 -4.410 0.561) 8.837 13.179 ( -13.096 -7.561 -0.889) 15.148 13.983 ( -0.271 -0.156 -1.387) 1.422 15.873 ( 8.070 4.659 11.562) 14.850 16.716 ( 7.297 4.213 -14.106) 16.431 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 7.755 1.997) 8.008 1.889 ( -0.000 17.143 13.322) 21.711 2.677 ( -0.000 -6.509 -0.961) 6.579 2.847 ( 0.000 5.184 -1.138) 5.307 3.486 ( -0.000 24.399 14.483) 28.374 4.723 ( 0.000 4.592 -13.993) 14.727 6.666 ( -0.000 -3.653 1.449) 3.930 6.710 ( -0.000 -1.073 -0.284) 1.110 8.548 ( -0.000 -20.702 -4.984) 21.293 8.804 ( 0.000 4.564 1.045) 4.682 10.207 ( -0.000 0.080 0.821) 0.825 11.123 ( -0.000 -42.132 5.920) 42.546 12.604 ( -0.000 -7.441 -1.089) 7.521 12.888 ( 0.000 6.859 -1.808) 7.093 13.850 ( -0.000 -10.607 -1.554) 10.720 13.953 ( -0.000 0.155 0.743) 0.759 14.580 ( 0.000 45.344 -1.172) 45.359 16.677 ( -0.000 -5.193 0.279) 5.200 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 2.504 11.327 4.343) 12.386 2.267 ( 12.154 17.963 9.420) 23.645 2.603 ( 0.361 -0.055 -6.023) 6.034 2.973 ( 5.694 7.320 -1.574) 9.406 3.925 ( 14.704 23.881 8.851) 29.408 4.766 ( 2.902 7.124 -8.472) 11.444 6.626 ( -1.021 -2.591 0.381) 2.810 6.667 ( -2.206 -2.306 -0.092) 3.193 8.129 ( -17.223 -21.055 0.163) 27.202 8.905 ( 4.767 4.617 -0.896) 6.697 10.203 ( -0.034 -2.646 1.744) 3.170 10.597 ( -15.634 -29.551 1.034) 33.448 12.447 ( -6.643 -8.988 0.215) 11.178 12.914 ( -0.590 -1.236 -1.667) 2.157 13.642 ( -9.142 -14.046 -0.158) 16.760 13.944 ( 0.489 -0.804 -0.274) 0.980 15.260 ( 20.609 38.404 0.305) 43.586 16.611 ( -0.904 -5.328 -0.971) 5.491 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 6.424 13.076 4.480) 15.243 2.573 ( 2.199 5.509 13.616) 14.852 2.790 ( 18.197 13.406 -15.159) 27.215 3.164 ( 6.720 9.800 -1.745) 12.010 4.469 ( 17.188 20.905 -1.312) 27.096 4.926 ( 8.818 8.207 2.361) 12.275 6.591 ( -1.562 -0.675 0.626) 1.813 6.612 ( -0.526 -2.145 0.405) 2.245 7.647 ( -18.382 -11.655 8.400) 23.330 9.056 ( 9.146 2.223 -3.033) 9.889 9.987 ( -22.483 -15.825 -13.966) 30.837 10.176 ( 0.829 -12.637 10.325) 16.339 12.206 ( -11.795 -6.958 1.677) 13.797 12.845 ( -3.361 -4.396 -0.021) 5.534 13.291 ( -12.388 -15.089 0.467) 19.528 13.953 ( 1.633 -1.021 -0.992) 2.166 15.891 ( 11.142 22.576 7.201) 26.186 16.556 ( 3.508 -4.201 -8.492) 10.103 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 0.000 10.126 -6.525) 12.046 2.438 ( 0.000 26.211 5.244) 26.731 2.584 ( 0.000 -0.246 -0.276) 0.370 3.009 ( 0.000 9.278 2.460) 9.598 4.091 ( 0.000 27.235 5.983) 27.884 4.805 ( 0.000 10.465 -6.542) 12.341 6.606 ( -0.000 -2.425 0.288) 2.442 6.664 ( 0.000 -2.556 -1.397) 2.912 7.962 ( -0.000 -28.305 -11.296) 30.475 8.973 ( 0.000 9.782 3.757) 10.478 10.148 ( -0.000 -12.119 7.959) 14.499 10.464 ( -0.000 -22.414 -0.238) 22.415 12.362 ( -0.000 -14.284 -2.984) 14.592 12.904 ( -0.000 -2.476 -0.480) 2.522 13.540 ( -0.000 -17.589 -1.934) 17.695 13.970 ( -0.000 0.399 1.667) 1.714 15.466 ( 0.000 37.338 -4.519) 37.611 16.585 ( -0.000 -3.535 5.867) 6.849 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -0.000 0.000 5.075) 5.075 1.756 ( -0.000 0.000 5.075) 5.075 2.794 ( 0.000 -0.000 -2.254) 2.254 2.794 ( 0.000 -0.000 -2.254) 2.254 3.219 ( -0.000 0.000 13.531) 13.531 4.636 ( 0.000 -0.000 -9.451) 9.451 6.718 ( -0.000 0.000 0.522) 0.522 6.718 ( -0.000 0.000 0.522) 0.522 8.764 ( 0.000 -0.000 -0.906) 0.906 8.764 ( 0.000 -0.000 -0.906) 0.906 10.200 ( -0.000 0.000 0.442) 0.442 11.785 ( -0.000 0.000 0.615) 0.615 12.674 ( -0.000 0.000 0.560) 0.560 12.674 ( -0.000 0.000 0.560) 0.560 13.955 ( 0.000 -0.000 -0.302) 0.302 13.955 ( 0.000 -0.000 -0.302) 0.302 14.027 ( 0.000 -0.000 -0.587) 0.587 16.732 ( 0.000 -0.000 -0.094) 0.094 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 4.549 2.626 7.076) 8.812 1.980 ( 16.306 9.414 -3.078) 19.078 2.656 ( -6.250 -3.608 1.652) 7.403 2.857 ( 5.352 3.090 -2.949) 6.848 3.556 ( 20.774 11.994 3.318) 24.216 4.656 ( 3.638 2.100 -2.736) 5.013 6.678 ( -3.092 -1.785 -0.759) 3.650 6.702 ( -1.349 -0.779 1.161) 1.943 8.501 ( -20.654 -11.925 3.795) 24.150 8.824 ( 4.972 2.871 -2.618) 6.310 10.212 ( 0.489 0.282 -0.042) 0.566 11.161 ( -34.674 -20.019 -1.198) 40.056 12.587 ( -7.230 -4.174 2.037) 8.594 12.884 ( 5.441 3.141 -1.009) 6.363 13.836 ( -9.686 -5.592 0.984) 11.228 13.963 ( 0.582 0.336 -1.220) 1.393 14.572 ( 38.662 22.322 0.418) 44.645 16.684 ( -3.548 -2.049 -0.946) 4.205 =================== 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 3/60750 10.0 8680.803 8680.803 31962.756 0.000 -0.000 -0.000 3/60750 20.0 2051.368 2051.368 2477.557 0.000 -0.000 -0.000 3/60750 30.0 580.975 580.975 541.673 0.000 -0.000 -0.000 3/60750 40.0 240.302 240.302 202.377 0.000 -0.000 -0.000 3/60750 50.0 131.556 131.556 103.256 0.000 -0.000 -0.000 3/60750 60.0 85.316 85.316 63.611 0.000 -0.000 -0.000 3/60750 70.0 61.336 61.336 44.092 0.000 -0.000 -0.000 3/60750 80.0 47.144 47.144 33.028 0.000 -0.000 -0.000 3/60750 90.0 37.954 37.954 26.105 0.000 -0.000 -0.000 3/60750 100.0 31.607 31.607 21.452 0.000 -0.000 -0.000 3/60750 110.0 27.007 27.007 18.150 0.000 -0.000 -0.000 3/60750 120.0 23.546 23.546 15.706 0.000 -0.000 -0.000 3/60750 130.0 20.861 20.861 13.833 0.000 -0.000 -0.000 3/60750 140.0 18.727 18.727 12.359 0.000 -0.000 -0.000 3/60750 150.0 16.994 16.994 11.171 0.000 -0.000 -0.000 3/60750 160.0 15.561 15.561 10.195 0.000 -0.000 -0.000 3/60750 170.0 14.358 14.358 9.379 0.000 -0.000 -0.000 3/60750 180.0 13.334 13.334 8.688 0.000 -0.000 -0.000 3/60750 190.0 12.453 12.453 8.095 0.000 -0.000 -0.000 3/60750 200.0 11.685 11.685 7.580 0.000 -0.000 -0.000 3/60750 210.0 11.012 11.012 7.130 0.000 -0.000 -0.000 3/60750 220.0 10.415 10.415 6.732 0.000 -0.000 -0.000 3/60750 230.0 9.883 9.883 6.378 0.000 -0.000 -0.000 3/60750 240.0 9.405 9.405 6.061 0.000 -0.000 -0.000 3/60750 250.0 8.973 8.973 5.775 0.000 -0.000 -0.000 3/60750 260.0 8.581 8.581 5.516 0.000 -0.000 -0.000 3/60750 270.0 8.224 8.224 5.280 0.000 -0.000 -0.000 3/60750 280.0 7.896 7.896 5.064 0.000 -0.000 -0.000 3/60750 290.0 7.595 7.595 4.866 0.000 -0.000 -0.000 3/60750 300.0 7.317 7.317 4.684 0.000 -0.000 -0.000 3/60750 310.0 7.059 7.059 4.515 0.000 -0.000 -0.000 3/60750 320.0 6.819 6.819 4.358 0.000 -0.000 -0.000 3/60750 330.0 6.596 6.596 4.212 0.000 -0.000 -0.000 3/60750 340.0 6.387 6.387 4.076 0.000 -0.000 -0.000 3/60750 350.0 6.192 6.192 3.949 0.000 -0.000 -0.000 3/60750 360.0 6.009 6.009 3.830 0.000 -0.000 -0.000 3/60750 370.0 5.836 5.836 3.718 0.000 -0.000 -0.000 3/60750 380.0 5.674 5.674 3.612 0.000 -0.000 -0.000 3/60750 390.0 5.520 5.520 3.512 0.000 -0.000 -0.000 3/60750 400.0 5.375 5.375 3.418 0.000 -0.000 -0.000 3/60750 410.0 5.237 5.237 3.329 0.000 -0.000 -0.000 3/60750 420.0 5.107 5.107 3.245 0.000 -0.000 -0.000 3/60750 430.0 4.983 4.983 3.165 0.000 -0.000 -0.000 3/60750 440.0 4.864 4.864 3.089 0.000 -0.000 -0.000 3/60750 450.0 4.752 4.752 3.016 0.000 -0.000 -0.000 3/60750 460.0 4.645 4.645 2.947 0.000 -0.000 -0.000 3/60750 470.0 4.542 4.542 2.881 0.000 -0.000 -0.000 3/60750 480.0 4.444 4.444 2.818 0.000 -0.000 -0.000 3/60750 490.0 4.351 4.351 2.758 0.000 -0.000 -0.000 3/60750 500.0 4.261 4.261 2.701 0.000 -0.000 -0.000 3/60750 510.0 4.175 4.175 2.645 0.000 -0.000 -0.000 3/60750 520.0 4.092 4.092 2.592 0.000 -0.000 -0.000 3/60750 530.0 4.013 4.013 2.541 0.000 -0.000 -0.000 3/60750 540.0 3.936 3.936 2.492 0.000 -0.000 -0.000 3/60750 550.0 3.863 3.863 2.445 0.000 -0.000 -0.000 3/60750 560.0 3.792 3.792 2.400 0.000 -0.000 -0.000 3/60750 570.0 3.724 3.724 2.357 0.000 -0.000 -0.000 3/60750 580.0 3.658 3.658 2.315 0.000 -0.000 -0.000 3/60750 590.0 3.595 3.595 2.274 0.000 -0.000 -0.000 3/60750 600.0 3.534 3.534 2.235 0.000 -0.000 -0.000 3/60750 610.0 3.475 3.475 2.197 0.000 -0.000 -0.000 3/60750 620.0 3.417 3.417 2.161 0.000 -0.000 -0.000 3/60750 630.0 3.362 3.362 2.126 0.000 -0.000 -0.000 3/60750 640.0 3.309 3.309 2.091 0.000 -0.000 -0.000 3/60750 650.0 3.257 3.257 2.058 0.000 -0.000 -0.000 3/60750 660.0 3.207 3.207 2.026 0.000 -0.000 -0.000 3/60750 670.0 3.158 3.158 1.995 0.000 -0.000 -0.000 3/60750 680.0 3.111 3.111 1.965 0.000 -0.000 -0.000 3/60750 690.0 3.065 3.065 1.936 0.000 -0.000 -0.000 3/60750 700.0 3.020 3.020 1.908 0.000 -0.000 -0.000 3/60750 710.0 2.977 2.977 1.880 0.000 -0.000 -0.000 3/60750 720.0 2.935 2.935 1.854 0.000 -0.000 -0.000 3/60750 730.0 2.895 2.895 1.828 0.000 -0.000 -0.000 3/60750 740.0 2.855 2.855 1.803 0.000 -0.000 -0.000 3/60750 750.0 2.816 2.816 1.778 0.000 -0.000 -0.000 3/60750 760.0 2.779 2.779 1.754 0.000 -0.000 -0.000 3/60750 770.0 2.742 2.742 1.731 0.000 -0.000 -0.000 3/60750 780.0 2.707 2.707 1.708 0.000 -0.000 -0.000 3/60750 790.0 2.672 2.672 1.686 0.000 -0.000 -0.000 3/60750 800.0 2.638 2.638 1.665 0.000 -0.000 -0.000 3/60750 810.0 2.605 2.605 1.644 0.000 -0.000 -0.000 3/60750 820.0 2.573 2.573 1.624 0.000 -0.000 -0.000 3/60750 830.0 2.542 2.542 1.604 0.000 -0.000 -0.000 3/60750 840.0 2.511 2.511 1.584 0.000 -0.000 -0.000 3/60750 850.0 2.481 2.481 1.566 0.000 -0.000 -0.000 3/60750 860.0 2.452 2.452 1.547 0.000 -0.000 -0.000 3/60750 870.0 2.424 2.424 1.529 0.000 -0.000 -0.000 3/60750 880.0 2.396 2.396 1.511 0.000 -0.000 -0.000 3/60750 890.0 2.369 2.369 1.494 0.000 -0.000 -0.000 3/60750 900.0 2.342 2.342 1.477 0.000 -0.000 -0.000 3/60750 910.0 2.316 2.316 1.461 0.000 -0.000 -0.000 3/60750 920.0 2.291 2.291 1.445 0.000 -0.000 -0.000 3/60750 930.0 2.266 2.266 1.429 0.000 -0.000 -0.000 3/60750 940.0 2.242 2.242 1.414 0.000 -0.000 -0.000 3/60750 950.0 2.218 2.218 1.399 0.000 -0.000 -0.000 3/60750 960.0 2.195 2.195 1.384 0.000 -0.000 -0.000 3/60750 970.0 2.172 2.172 1.369 0.000 -0.000 -0.000 3/60750 980.0 2.149 2.149 1.355 0.000 -0.000 -0.000 3/60750 990.0 2.128 2.128 1.341 0.000 -0.000 -0.000 3/60750 1000.0 2.106 2.106 1.328 0.000 -0.000 -0.000 3/60750 Thermal conductivity related properties were written into "kappa-m151515.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:25:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|