----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:52:04]------------------------- 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 2.005651339318310 1.157963340655957 9.364494996666657 b -2.005651339318306 1.157963340655957 9.364494996666657 c 0.000000000000002 -2.315926681311918 9.364494996666657 Atomic positions (fractional): *1 Sr 0.74694825830047 0.74694825830047 0.74694825830047 87.620 2 Sr 0.25305174169953 0.25305174169953 0.25305174169953 87.620 *3 O 0.56381064649141 0.56381064649141 0.56381064649141 15.999 4 O 0.43618935350859 0.43618935350859 0.43618935350859 15.999 *5 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 *6 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.011302678636616 0.000000000000000 0.000000000000000 b -2.005651339318308 3.473890021967875 0.000000000000000 c 0.000000000000000 0.000000000000000 28.093484990000000 Atomic positions (fractional): *1 Sr 0.66666666666667 0.33333333333333 0.08028159163380 87.620 > 1 2 Sr 0.00000000000000 0.00000000000000 0.25305174169953 87.620 > 2 3 Sr 0.33333333333333 0.66666666666667 0.41361492496714 87.620 > 1 4 Sr 0.66666666666667 0.33333333333333 0.58638507503286 87.620 > 2 5 Sr 0.00000000000000 0.00000000000000 0.74694825830047 87.620 > 1 6 Sr 0.33333333333333 0.66666666666667 0.91971840836620 87.620 > 2 *7 O 0.33333333333333 0.66666666666667 0.23047731315808 15.999 > 3 8 O 0.33333333333333 0.66666666666667 0.10285602017525 15.999 > 4 9 O 0.00000000000000 0.00000000000000 0.56381064649141 15.999 > 3 10 O 0.00000000000000 0.00000000000000 0.43618935350859 15.999 > 4 11 O 0.66666666666667 0.33333333333333 0.89714397982475 15.999 > 3 12 O 0.66666666666667 0.33333333333333 0.76952268684192 15.999 > 4 *13 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 5 14 Br 0.66666666666667 0.33333333333333 0.33333333333333 79.904 > 5 15 Br 0.33333333333333 0.66666666666667 0.66666666666667 79.904 > 5 *16 Cu 0.33333333333333 0.66666666666667 0.16666666666667 63.546 > 6 17 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 6 18 Cu 0.66666666666667 0.33333333333333 0.83333333333333 63.546 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.022605357273232 0.000000000000000 0.000000000000000 b -4.011302678636616 6.947780043935750 0.000000000000000 c 0.000000000000000 0.000000000000000 28.093484990000000 Atomic positions (fractional): *1 Sr 0.33333333333333 0.16666666666667 0.08028159163380 87.620 > 1 2 Sr 0.83333333333333 0.16666666666667 0.08028159163380 87.620 > 1 3 Sr 0.33333333333333 0.66666666666667 0.08028159163380 87.620 > 1 4 Sr 0.83333333333333 0.66666666666667 0.08028159163380 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.25305174169953 87.620 > 2 6 Sr 0.50000000000000 0.00000000000000 0.25305174169953 87.620 > 2 7 Sr 0.00000000000000 0.50000000000000 0.25305174169953 87.620 > 2 8 Sr 0.50000000000000 0.50000000000000 0.25305174169953 87.620 > 2 9 Sr 0.16666666666667 0.33333333333333 0.41361492496714 87.620 > 1 10 Sr 0.66666666666667 0.33333333333333 0.41361492496714 87.620 > 1 11 Sr 0.16666666666667 0.83333333333333 0.41361492496714 87.620 > 1 12 Sr 0.66666666666667 0.83333333333333 0.41361492496714 87.620 > 1 13 Sr 0.33333333333333 0.16666666666667 0.58638507503286 87.620 > 2 14 Sr 0.83333333333333 0.16666666666667 0.58638507503286 87.620 > 2 15 Sr 0.33333333333333 0.66666666666667 0.58638507503286 87.620 > 2 16 Sr 0.83333333333333 0.66666666666667 0.58638507503286 87.620 > 2 17 Sr 0.00000000000000 0.00000000000000 0.74694825830047 87.620 > 1 18 Sr 0.50000000000000 0.00000000000000 0.74694825830047 87.620 > 1 19 Sr 0.00000000000000 0.50000000000000 0.74694825830047 87.620 > 1 20 Sr 0.50000000000000 0.50000000000000 0.74694825830047 87.620 > 1 21 Sr 0.16666666666667 0.33333333333333 0.91971840836620 87.620 > 2 22 Sr 0.66666666666667 0.33333333333333 0.91971840836620 87.620 > 2 23 Sr 0.16666666666667 0.83333333333333 0.91971840836620 87.620 > 2 24 Sr 0.66666666666667 0.83333333333333 0.91971840836620 87.620 > 2 *25 O 0.16666666666667 0.33333333333333 0.23047731315808 15.999 > 3 26 O 0.66666666666667 0.33333333333333 0.23047731315808 15.999 > 3 27 O 0.16666666666667 0.83333333333333 0.23047731315808 15.999 > 3 28 O 0.66666666666667 0.83333333333333 0.23047731315808 15.999 > 3 29 O 0.16666666666667 0.33333333333333 0.10285602017525 15.999 > 4 30 O 0.66666666666667 0.33333333333333 0.10285602017525 15.999 > 4 31 O 0.16666666666667 0.83333333333333 0.10285602017525 15.999 > 4 32 O 0.66666666666667 0.83333333333333 0.10285602017525 15.999 > 4 33 O 0.00000000000000 0.00000000000000 0.56381064649141 15.999 > 3 34 O 0.50000000000000 0.00000000000000 0.56381064649141 15.999 > 3 35 O 0.00000000000000 0.50000000000000 0.56381064649141 15.999 > 3 36 O 0.50000000000000 0.50000000000000 0.56381064649141 15.999 > 3 37 O 0.00000000000000 0.00000000000000 0.43618935350859 15.999 > 4 38 O 0.50000000000000 0.00000000000000 0.43618935350859 15.999 > 4 39 O 0.00000000000000 0.50000000000000 0.43618935350859 15.999 > 4 40 O 0.50000000000000 0.50000000000000 0.43618935350859 15.999 > 4 41 O 0.33333333333333 0.16666666666667 0.89714397982475 15.999 > 3 42 O 0.83333333333333 0.16666666666667 0.89714397982475 15.999 > 3 43 O 0.33333333333333 0.66666666666667 0.89714397982475 15.999 > 3 44 O 0.83333333333333 0.66666666666667 0.89714397982475 15.999 > 3 45 O 0.33333333333333 0.16666666666667 0.76952268684192 15.999 > 4 46 O 0.83333333333333 0.16666666666667 0.76952268684192 15.999 > 4 47 O 0.33333333333333 0.66666666666667 0.76952268684192 15.999 > 4 48 O 0.83333333333333 0.66666666666667 0.76952268684192 15.999 > 4 *49 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 5 50 Br 0.50000000000000 0.00000000000000 0.00000000000000 79.904 > 5 51 Br 0.00000000000000 0.50000000000000 0.00000000000000 79.904 > 5 52 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 5 53 Br 0.33333333333333 0.16666666666667 0.33333333333333 79.904 > 5 54 Br 0.83333333333333 0.16666666666667 0.33333333333333 79.904 > 5 55 Br 0.33333333333333 0.66666666666667 0.33333333333333 79.904 > 5 56 Br 0.83333333333333 0.66666666666667 0.33333333333333 79.904 > 5 57 Br 0.16666666666667 0.33333333333333 0.66666666666667 79.904 > 5 58 Br 0.66666666666667 0.33333333333333 0.66666666666667 79.904 > 5 59 Br 0.16666666666667 0.83333333333333 0.66666666666667 79.904 > 5 60 Br 0.66666666666667 0.83333333333333 0.66666666666667 79.904 > 5 *61 Cu 0.16666666666667 0.33333333333333 0.16666666666667 63.546 > 6 62 Cu 0.66666666666667 0.33333333333333 0.16666666666667 63.546 > 6 63 Cu 0.16666666666667 0.83333333333333 0.16666666666667 63.546 > 6 64 Cu 0.66666666666667 0.83333333333333 0.16666666666667 63.546 > 6 65 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 6 66 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 6 67 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 6 68 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 6 69 Cu 0.33333333333333 0.16666666666667 0.83333333333333 63.546 > 6 70 Cu 0.83333333333333 0.16666666666667 0.83333333333333 63.546 > 6 71 Cu 0.33333333333333 0.66666666666667 0.83333333333333 63.546 > 6 72 Cu 0.83333333333333 0.66666666666667 0.83333333333333 63.546 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0094763 -0.0000000 0.0000000 0.0000000 4.0094763 0.0000000 0.0000000 0.0000000 3.7392778 -------------------------- Born effective charges -------------------------- 1 Sr 2.5800638 -0.0000000 0.0000000 -0.0000000 2.5800638 0.0000000 0.0000000 0.0000000 2.2081482 2 Sr 2.5800638 -0.0000000 0.0000000 -0.0000000 2.5800638 0.0000000 0.0000000 0.0000000 2.2081482 3 O -1.7217388 0.0000000 0.0000000 0.0000000 -1.7217388 0.0000000 0.0000000 0.0000000 -2.1845925 4 O -1.7217388 0.0000000 0.0000000 0.0000000 -1.7217388 0.0000000 0.0000000 0.0000000 -2.1845925 5 Br -1.1433738 0.0000000 0.0000000 0.0000000 -1.1433738 0.0000000 0.0000000 0.0000000 -1.4139614 6 Cu -0.5732764 -0.0000000 0.0000000 0.0000000 -0.5732764 0.0000000 0.0000000 0.0000000 1.3668500 ---------------------------------------------------------------------------- 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: 2376/2376 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 248 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: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.088 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.093 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216 Permutation basis: 2376/2376 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 226 Number of blocks in projector: 248 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: 102 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 68 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 56 Use standard eigh solver. Tree of FC basis block matrices: - (226, 218), data: False |-- (56, 56), data: True |-- (68, 64), data: True |-- (102, 98), 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 10:52:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:52:07]------------------------- 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 2.005651339318310 1.157963340655957 9.364494996666657 b -2.005651339318306 1.157963340655957 9.364494996666657 c 0.000000000000002 -2.315926681311918 9.364494996666657 Atomic positions (fractional): 1 Sr 0.74694825830047 0.74694825830047 0.74694825830047 87.620 2 Sr 0.25305174169953 0.25305174169953 0.25305174169953 87.620 3 O 0.56381064649141 0.56381064649141 0.56381064649141 15.999 4 O 0.43618935350859 0.43618935350859 0.43618935350859 15.999 5 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 6 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.022605357273232 0.000000000000000 0.000000000000000 b -4.011302678636616 6.947780043935750 0.000000000000000 c 0.000000000000000 0.000000000000000 28.093484990000000 Atomic positions (fractional): 1 Sr 0.33333333333333 0.16666666666667 0.08028159163380 87.620 > 1 2 Sr 0.83333333333333 0.16666666666667 0.08028159163380 87.620 > 1 3 Sr 0.33333333333333 0.66666666666667 0.08028159163380 87.620 > 1 4 Sr 0.83333333333333 0.66666666666667 0.08028159163380 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.25305174169953 87.620 > 5 6 Sr 0.50000000000000 0.00000000000000 0.25305174169953 87.620 > 5 7 Sr 0.00000000000000 0.50000000000000 0.25305174169953 87.620 > 5 8 Sr 0.50000000000000 0.50000000000000 0.25305174169953 87.620 > 5 9 Sr 0.16666666666667 0.33333333333333 0.41361492496714 87.620 > 1 10 Sr 0.66666666666667 0.33333333333333 0.41361492496714 87.620 > 1 11 Sr 0.16666666666667 0.83333333333333 0.41361492496714 87.620 > 1 12 Sr 0.66666666666667 0.83333333333333 0.41361492496714 87.620 > 1 13 Sr 0.33333333333333 0.16666666666667 0.58638507503286 87.620 > 5 14 Sr 0.83333333333333 0.16666666666667 0.58638507503286 87.620 > 5 15 Sr 0.33333333333333 0.66666666666667 0.58638507503286 87.620 > 5 16 Sr 0.83333333333333 0.66666666666667 0.58638507503286 87.620 > 5 17 Sr 0.00000000000000 0.00000000000000 0.74694825830047 87.620 > 1 18 Sr 0.50000000000000 0.00000000000000 0.74694825830047 87.620 > 1 19 Sr 0.00000000000000 0.50000000000000 0.74694825830047 87.620 > 1 20 Sr 0.50000000000000 0.50000000000000 0.74694825830047 87.620 > 1 21 Sr 0.16666666666667 0.33333333333333 0.91971840836620 87.620 > 5 22 Sr 0.66666666666667 0.33333333333333 0.91971840836620 87.620 > 5 23 Sr 0.16666666666667 0.83333333333333 0.91971840836620 87.620 > 5 24 Sr 0.66666666666667 0.83333333333333 0.91971840836620 87.620 > 5 25 O 0.16666666666667 0.33333333333333 0.23047731315808 15.999 > 25 26 O 0.66666666666667 0.33333333333333 0.23047731315808 15.999 > 25 27 O 0.16666666666667 0.83333333333333 0.23047731315808 15.999 > 25 28 O 0.66666666666667 0.83333333333333 0.23047731315808 15.999 > 25 29 O 0.16666666666667 0.33333333333333 0.10285602017525 15.999 > 29 30 O 0.66666666666667 0.33333333333333 0.10285602017525 15.999 > 29 31 O 0.16666666666667 0.83333333333333 0.10285602017525 15.999 > 29 32 O 0.66666666666667 0.83333333333333 0.10285602017525 15.999 > 29 33 O 0.00000000000000 0.00000000000000 0.56381064649141 15.999 > 25 34 O 0.50000000000000 0.00000000000000 0.56381064649141 15.999 > 25 35 O 0.00000000000000 0.50000000000000 0.56381064649141 15.999 > 25 36 O 0.50000000000000 0.50000000000000 0.56381064649141 15.999 > 25 37 O 0.00000000000000 0.00000000000000 0.43618935350859 15.999 > 29 38 O 0.50000000000000 0.00000000000000 0.43618935350859 15.999 > 29 39 O 0.00000000000000 0.50000000000000 0.43618935350859 15.999 > 29 40 O 0.50000000000000 0.50000000000000 0.43618935350859 15.999 > 29 41 O 0.33333333333333 0.16666666666667 0.89714397982475 15.999 > 25 42 O 0.83333333333333 0.16666666666667 0.89714397982475 15.999 > 25 43 O 0.33333333333333 0.66666666666667 0.89714397982475 15.999 > 25 44 O 0.83333333333333 0.66666666666667 0.89714397982475 15.999 > 25 45 O 0.33333333333333 0.16666666666667 0.76952268684192 15.999 > 29 46 O 0.83333333333333 0.16666666666667 0.76952268684192 15.999 > 29 47 O 0.33333333333333 0.66666666666667 0.76952268684192 15.999 > 29 48 O 0.83333333333333 0.66666666666667 0.76952268684192 15.999 > 29 49 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 49 50 Br 0.50000000000000 0.00000000000000 0.00000000000000 79.904 > 49 51 Br 0.00000000000000 0.50000000000000 0.00000000000000 79.904 > 49 52 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 49 53 Br 0.33333333333333 0.16666666666667 0.33333333333333 79.904 > 49 54 Br 0.83333333333333 0.16666666666667 0.33333333333333 79.904 > 49 55 Br 0.33333333333333 0.66666666666667 0.33333333333333 79.904 > 49 56 Br 0.83333333333333 0.66666666666667 0.33333333333333 79.904 > 49 57 Br 0.16666666666667 0.33333333333333 0.66666666666667 79.904 > 49 58 Br 0.66666666666667 0.33333333333333 0.66666666666667 79.904 > 49 59 Br 0.16666666666667 0.83333333333333 0.66666666666667 79.904 > 49 60 Br 0.66666666666667 0.83333333333333 0.66666666666667 79.904 > 49 61 Cu 0.16666666666667 0.33333333333333 0.16666666666667 63.546 > 61 62 Cu 0.66666666666667 0.33333333333333 0.16666666666667 63.546 > 61 63 Cu 0.16666666666667 0.83333333333333 0.16666666666667 63.546 > 61 64 Cu 0.66666666666667 0.83333333333333 0.16666666666667 63.546 > 61 65 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 61 66 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 61 67 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 61 68 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 61 69 Cu 0.33333333333333 0.16666666666667 0.83333333333333 63.546 > 61 70 Cu 0.83333333333333 0.16666666666667 0.83333333333333 63.546 > 61 71 Cu 0.33333333333333 0.66666666666667 0.83333333333333 63.546 > 61 72 Cu 0.83333333333333 0.66666666666667 0.83333333333333 63.546 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0094763 -0.0000000 0.0000000 0.0000000 4.0094763 0.0000000 0.0000000 0.0000000 3.7392778 -------------------------- Born effective charges -------------------------- 1 Sr 2.5800638 -0.0000000 0.0000000 -0.0000000 2.5800638 0.0000000 0.0000000 0.0000000 2.2081482 2 Sr 2.5800638 -0.0000000 0.0000000 -0.0000000 2.5800638 0.0000000 0.0000000 0.0000000 2.2081482 3 O -1.7217388 0.0000000 0.0000000 0.0000000 -1.7217388 0.0000000 0.0000000 0.0000000 -2.1845925 4 O -1.7217388 0.0000000 0.0000000 0.0000000 -1.7217388 0.0000000 0.0000000 0.0000000 -2.1845925 5 Br -1.1433738 0.0000000 0.0000000 0.0000000 -1.1433738 0.0000000 0.0000000 0.0000000 -1.4139614 6 Cu -0.5732764 -0.0000000 0.0000000 0.0000000 -0.5732764 0.0000000 0.0000000 0.0000000 1.3668500 ---------------------------------------------------------------------------- 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] Computing fc3[ 61, 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: -0.00000163 (xzx) -0.00000163 (xzx) -0.00000163 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:52:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:52:11]------------------------- 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 2.005651339318310 1.157963340655957 9.364494996666657 b -2.005651339318306 1.157963340655957 9.364494996666657 c 0.000000000000002 -2.315926681311918 9.364494996666657 Atomic positions (fractional): 1 Sr 0.74694825830047 0.74694825830047 0.74694825830047 87.620 2 Sr 0.25305174169953 0.25305174169953 0.25305174169953 87.620 3 O 0.56381064649141 0.56381064649141 0.56381064649141 15.999 4 O 0.43618935350859 0.43618935350859 0.43618935350859 15.999 5 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 6 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.022605357273232 0.000000000000000 0.000000000000000 b -4.011302678636616 6.947780043935750 0.000000000000000 c 0.000000000000000 0.000000000000000 28.093484990000000 Atomic positions (fractional): 1 Sr 0.33333333333333 0.16666666666667 0.08028159163380 87.620 > 1 2 Sr 0.83333333333333 0.16666666666667 0.08028159163380 87.620 > 1 3 Sr 0.33333333333333 0.66666666666667 0.08028159163380 87.620 > 1 4 Sr 0.83333333333333 0.66666666666667 0.08028159163380 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.25305174169953 87.620 > 5 6 Sr 0.50000000000000 0.00000000000000 0.25305174169953 87.620 > 5 7 Sr 0.00000000000000 0.50000000000000 0.25305174169953 87.620 > 5 8 Sr 0.50000000000000 0.50000000000000 0.25305174169953 87.620 > 5 9 Sr 0.16666666666667 0.33333333333333 0.41361492496714 87.620 > 1 10 Sr 0.66666666666667 0.33333333333333 0.41361492496714 87.620 > 1 11 Sr 0.16666666666667 0.83333333333333 0.41361492496714 87.620 > 1 12 Sr 0.66666666666667 0.83333333333333 0.41361492496714 87.620 > 1 13 Sr 0.33333333333333 0.16666666666667 0.58638507503286 87.620 > 5 14 Sr 0.83333333333333 0.16666666666667 0.58638507503286 87.620 > 5 15 Sr 0.33333333333333 0.66666666666667 0.58638507503286 87.620 > 5 16 Sr 0.83333333333333 0.66666666666667 0.58638507503286 87.620 > 5 17 Sr 0.00000000000000 0.00000000000000 0.74694825830047 87.620 > 1 18 Sr 0.50000000000000 0.00000000000000 0.74694825830047 87.620 > 1 19 Sr 0.00000000000000 0.50000000000000 0.74694825830047 87.620 > 1 20 Sr 0.50000000000000 0.50000000000000 0.74694825830047 87.620 > 1 21 Sr 0.16666666666667 0.33333333333333 0.91971840836620 87.620 > 5 22 Sr 0.66666666666667 0.33333333333333 0.91971840836620 87.620 > 5 23 Sr 0.16666666666667 0.83333333333333 0.91971840836620 87.620 > 5 24 Sr 0.66666666666667 0.83333333333333 0.91971840836620 87.620 > 5 25 O 0.16666666666667 0.33333333333333 0.23047731315808 15.999 > 25 26 O 0.66666666666667 0.33333333333333 0.23047731315808 15.999 > 25 27 O 0.16666666666667 0.83333333333333 0.23047731315808 15.999 > 25 28 O 0.66666666666667 0.83333333333333 0.23047731315808 15.999 > 25 29 O 0.16666666666667 0.33333333333333 0.10285602017525 15.999 > 29 30 O 0.66666666666667 0.33333333333333 0.10285602017525 15.999 > 29 31 O 0.16666666666667 0.83333333333333 0.10285602017525 15.999 > 29 32 O 0.66666666666667 0.83333333333333 0.10285602017525 15.999 > 29 33 O 0.00000000000000 0.00000000000000 0.56381064649141 15.999 > 25 34 O 0.50000000000000 0.00000000000000 0.56381064649141 15.999 > 25 35 O 0.00000000000000 0.50000000000000 0.56381064649141 15.999 > 25 36 O 0.50000000000000 0.50000000000000 0.56381064649141 15.999 > 25 37 O 0.00000000000000 0.00000000000000 0.43618935350859 15.999 > 29 38 O 0.50000000000000 0.00000000000000 0.43618935350859 15.999 > 29 39 O 0.00000000000000 0.50000000000000 0.43618935350859 15.999 > 29 40 O 0.50000000000000 0.50000000000000 0.43618935350859 15.999 > 29 41 O 0.33333333333333 0.16666666666667 0.89714397982475 15.999 > 25 42 O 0.83333333333333 0.16666666666667 0.89714397982475 15.999 > 25 43 O 0.33333333333333 0.66666666666667 0.89714397982475 15.999 > 25 44 O 0.83333333333333 0.66666666666667 0.89714397982475 15.999 > 25 45 O 0.33333333333333 0.16666666666667 0.76952268684192 15.999 > 29 46 O 0.83333333333333 0.16666666666667 0.76952268684192 15.999 > 29 47 O 0.33333333333333 0.66666666666667 0.76952268684192 15.999 > 29 48 O 0.83333333333333 0.66666666666667 0.76952268684192 15.999 > 29 49 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 49 50 Br 0.50000000000000 0.00000000000000 0.00000000000000 79.904 > 49 51 Br 0.00000000000000 0.50000000000000 0.00000000000000 79.904 > 49 52 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 49 53 Br 0.33333333333333 0.16666666666667 0.33333333333333 79.904 > 49 54 Br 0.83333333333333 0.16666666666667 0.33333333333333 79.904 > 49 55 Br 0.33333333333333 0.66666666666667 0.33333333333333 79.904 > 49 56 Br 0.83333333333333 0.66666666666667 0.33333333333333 79.904 > 49 57 Br 0.16666666666667 0.33333333333333 0.66666666666667 79.904 > 49 58 Br 0.66666666666667 0.33333333333333 0.66666666666667 79.904 > 49 59 Br 0.16666666666667 0.83333333333333 0.66666666666667 79.904 > 49 60 Br 0.66666666666667 0.83333333333333 0.66666666666667 79.904 > 49 61 Cu 0.16666666666667 0.33333333333333 0.16666666666667 63.546 > 61 62 Cu 0.66666666666667 0.33333333333333 0.16666666666667 63.546 > 61 63 Cu 0.16666666666667 0.83333333333333 0.16666666666667 63.546 > 61 64 Cu 0.66666666666667 0.83333333333333 0.16666666666667 63.546 > 61 65 Cu 0.00000000000000 0.00000000000000 0.50000000000000 63.546 > 61 66 Cu 0.50000000000000 0.00000000000000 0.50000000000000 63.546 > 61 67 Cu 0.00000000000000 0.50000000000000 0.50000000000000 63.546 > 61 68 Cu 0.50000000000000 0.50000000000000 0.50000000000000 63.546 > 61 69 Cu 0.33333333333333 0.16666666666667 0.83333333333333 63.546 > 61 70 Cu 0.83333333333333 0.16666666666667 0.83333333333333 63.546 > 61 71 Cu 0.33333333333333 0.66666666666667 0.83333333333333 63.546 > 61 72 Cu 0.83333333333333 0.66666666666667 0.83333333333333 63.546 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0094763 -0.0000000 0.0000000 0.0000000 4.0094763 0.0000000 0.0000000 0.0000000 3.7392778 -------------------------- Born effective charges -------------------------- 1 Sr 2.5800638 -0.0000000 0.0000000 -0.0000000 2.5800638 0.0000000 0.0000000 0.0000000 2.2081482 2 Sr 2.5800638 -0.0000000 0.0000000 -0.0000000 2.5800638 0.0000000 0.0000000 0.0000000 2.2081482 3 O -1.7217388 0.0000000 0.0000000 0.0000000 -1.7217388 0.0000000 0.0000000 0.0000000 -2.1845925 4 O -1.7217388 0.0000000 0.0000000 0.0000000 -1.7217388 0.0000000 0.0000000 0.0000000 -2.1845925 5 Br -1.1433738 0.0000000 0.0000000 0.0000000 -1.1433738 0.0000000 0.0000000 0.0000000 -1.4139614 6 Cu -0.5732764 -0.0000000 0.0000000 0.0000000 -0.5732764 0.0000000 0.0000000 0.0000000 1.3668500 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000163 (xzx) -0.00000163 (xzx) -0.00000163 (xxz) 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: 0.82, Number of G-points: 315, Lambda: 0.17 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: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 10.589 ( 0.000 0.000 0.000) 0.000 18.536 ( 0.000 0.000 0.000) 0.000 19.483 ( 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: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 13.765 7.947 -0.394) 15.900 0.475 ( 20.887 12.059 0.528) 24.125 0.889 ( 38.648 22.313 2.423) 44.692 1.729 ( 3.099 1.789 1.002) 3.716 1.928 ( 19.150 11.056 -4.995) 22.670 2.361 ( 0.575 0.332 -1.329) 1.486 2.590 ( 6.346 3.664 5.581) 9.211 3.838 ( -1.944 -1.122 -11.072) 11.297 4.035 ( 0.121 0.070 0.427) 0.449 4.182 ( -4.511 -2.605 12.013) 13.094 4.476 ( 1.801 1.040 -12.294) 12.468 5.052 ( -3.696 -2.134 20.680) 21.116 9.664 ( -1.502 -0.867 0.283) 1.757 9.783 ( 8.763 5.059 0.750) 10.146 10.576 ( -1.112 -0.642 -0.228) 1.304 12.338 ( 0.177 0.102 -21.891) 21.892 18.464 ( -6.057 -3.497 -1.624) 7.180 19.478 ( -4.296 -2.480 18.611) 19.260 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 15.228 8.792 -0.986) 17.612 0.918 ( 18.846 10.881 -0.302) 21.764 1.695 ( 32.790 18.932 3.127) 37.992 1.828 ( 5.142 2.969 2.929) 6.621 2.342 ( 16.154 9.326 -13.159) 22.827 2.379 ( 1.607 0.928 -3.087) 3.602 2.867 ( 17.057 9.848 17.950) 26.648 3.750 ( -2.720 -1.571 -16.249) 16.550 4.041 ( 0.242 0.140 0.823) 0.870 4.081 ( -7.516 -4.339 16.658) 18.783 4.508 ( 3.680 2.125 -7.460) 8.586 5.012 ( -2.614 -1.509 7.836) 8.397 9.617 ( -2.756 -1.591 0.506) 3.222 10.039 ( 13.102 7.565 1.737) 15.229 10.540 ( -2.049 -1.183 -0.409) 2.401 12.268 ( -2.868 -1.656 -11.390) 11.862 18.281 ( -9.534 -5.504 -2.423) 11.272 19.405 ( -5.189 -2.996 9.789) 11.477 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 15.725 9.079 -2.127) 18.282 1.301 ( 15.737 9.086 -1.381) 18.224 1.957 ( 5.149 2.973 5.788) 8.298 2.329 ( 23.091 13.332 4.257) 27.001 2.425 ( 3.633 2.098 -5.251) 6.721 2.539 ( 5.264 3.039 -10.584) 12.205 3.347 ( 18.317 10.576 19.681) 28.891 3.660 ( -1.673 -0.966 -12.680) 12.826 3.941 ( -7.851 -4.533 13.148) 15.971 4.050 ( 0.330 0.191 1.137) 1.199 4.629 ( 9.279 5.358 -7.051) 12.827 5.002 ( 1.738 1.004 1.257) 2.368 9.547 ( -3.546 -2.048 0.630) 4.143 10.335 ( 12.521 7.229 2.515) 14.675 10.486 ( -2.656 -1.534 -0.510) 3.109 12.160 ( -4.696 -2.711 -7.572) 9.313 18.055 ( -9.862 -5.694 -2.456) 11.650 19.301 ( -5.708 -3.296 6.039) 8.939 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 15.112 8.725 -3.922) 17.885 1.604 ( 11.971 6.911 -2.321) 14.016 2.068 ( 3.308 1.910 7.694) 8.590 2.521 ( 6.206 3.583 -6.316) 9.552 2.528 ( -2.667 -1.540 -4.889) 5.778 2.761 ( 13.744 7.935 5.423) 16.772 3.545 ( -1.735 -1.002 -0.993) 2.236 3.691 ( 0.037 0.021 12.178) 12.178 3.844 ( -0.352 -0.203 6.372) 6.385 4.060 ( 0.324 0.187 1.291) 1.344 4.879 ( 14.086 8.133 -7.543) 17.929 5.152 ( 12.625 7.289 -2.009) 14.716 9.467 ( -3.729 -2.153 0.644) 4.353 10.423 ( -2.822 -1.630 -0.521) 3.301 10.585 ( 9.227 5.327 2.628) 10.974 12.029 ( -5.594 -3.230 -5.125) 8.245 17.848 ( -8.106 -4.680 -2.064) 9.584 19.188 ( -5.358 -3.094 3.653) 7.185 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 13.428 7.753 -6.618) 16.858 1.819 ( 8.020 4.630 -2.667) 9.637 2.140 ( 1.750 1.010 6.969) 7.256 2.413 ( -6.447 -3.722 1.266) 7.551 2.658 ( 7.028 4.058 -5.134) 9.603 2.999 ( 6.746 3.895 6.253) 9.989 3.474 ( -4.346 -2.509 2.350) 5.541 3.622 ( -3.745 -2.162 0.046) 4.325 3.865 ( -1.980 -1.143 8.268) 8.578 4.069 ( 0.194 0.112 1.211) 1.232 5.189 ( 14.818 8.555 -6.839) 18.426 5.506 ( 17.686 10.211 -1.317) 20.464 9.390 ( -3.260 -1.882 0.553) 3.804 10.362 ( -2.499 -1.443 -0.448) 2.920 10.753 ( 5.480 3.164 2.105) 6.668 11.896 ( -5.381 -3.107 -3.177) 6.979 17.691 ( -5.598 -3.232 -1.489) 6.633 19.087 ( -4.284 -2.474 2.083) 5.368 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 9.905 5.719 -9.865) 15.104 1.950 ( 4.367 2.521 -2.043) 5.440 2.184 ( 1.045 0.603 4.553) 4.710 2.283 ( -5.512 -3.182 7.089) 9.527 2.790 ( 5.353 3.090 -3.079) 6.905 3.104 ( 1.935 1.117 5.932) 6.339 3.365 ( -5.747 -3.318 2.522) 7.099 3.579 ( 0.118 0.068 -3.826) 3.828 3.811 ( -3.535 -2.041 5.172) 6.589 4.074 ( 0.029 0.017 0.872) 0.873 5.469 ( 10.988 6.344 -4.477) 13.455 5.859 ( 13.261 7.656 -0.462) 15.320 9.329 ( -2.217 -1.280 0.373) 2.587 10.314 ( -1.719 -0.993 -0.303) 2.009 10.844 ( 2.549 1.472 1.268) 3.205 11.785 ( -3.931 -2.269 -1.633) 4.824 17.592 ( -3.156 -1.822 -0.878) 3.749 19.012 ( -2.738 -1.581 1.050) 3.331 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 3.265 1.885 -6.715) 7.701 2.009 ( 1.341 0.774 -0.721) 1.708 2.208 ( 0.396 0.228 1.528) 1.595 2.222 ( -1.468 -0.848 5.795) 6.038 2.868 ( 1.986 1.147 -1.011) 2.507 3.142 ( 0.813 0.469 3.860) 3.973 3.257 ( -3.414 -1.971 -0.879) 4.039 3.587 ( 0.637 0.368 -1.557) 1.723 3.759 ( -1.552 -0.896 1.829) 2.560 4.075 ( -0.021 -0.012 0.319) 0.320 5.632 ( 3.989 2.303 -1.541) 4.857 6.062 ( 4.800 2.771 -0.098) 5.543 9.296 ( -0.785 -0.453 0.132) 0.916 10.287 ( -0.613 -0.354 -0.107) 0.716 10.880 ( 0.689 0.398 0.409) 0.895 11.721 ( -1.447 -0.835 -0.484) 1.739 17.545 ( -1.006 -0.581 -0.288) 1.197 18.973 ( -0.939 -0.542 0.318) 1.130 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 0.000 16.619 0.462) 16.626 0.492 ( 0.000 23.959 5.225) 24.522 0.893 ( 0.000 44.213 3.331) 44.338 1.705 ( 0.000 2.629 -5.670) 6.249 1.943 ( 0.000 24.064 -1.046) 24.086 2.379 ( -0.000 1.422 3.596) 3.867 2.548 ( 0.000 5.117 -5.454) 7.479 3.801 ( 0.000 -2.672 -17.823) 18.022 4.032 ( 0.000 -0.011 -0.451) 0.451 4.218 ( -0.000 -4.775 16.422) 17.102 4.452 ( 0.000 4.816 -12.481) 13.378 5.125 ( -0.000 -10.162 35.203) 36.640 9.661 ( -0.000 -1.849 -0.476) 1.909 9.784 ( 0.000 10.092 0.822) 10.126 10.578 ( -0.000 -1.194 0.364) 1.248 12.265 ( 0.000 7.308 -39.485) 40.155 18.459 ( -0.000 -7.017 -2.566) 7.471 19.542 ( -0.000 -10.634 33.725) 35.362 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 7.960 15.668 2.809) 17.797 0.846 ( 11.265 22.017 3.157) 24.932 1.485 ( 19.906 33.365 3.596) 39.017 1.809 ( 7.180 5.731 -4.827) 10.378 2.234 ( 4.722 19.255 -3.174) 20.078 2.419 ( 0.971 9.197 -4.376) 10.231 2.695 ( 13.121 3.685 8.571) 16.100 3.717 ( -1.155 -2.786 -19.747) 19.976 4.040 ( 0.788 0.387 -0.065) 0.880 4.168 ( -4.171 -6.739 17.885) 19.563 4.479 ( 0.904 3.965 -6.037) 7.279 5.071 ( -3.665 -4.718 16.821) 17.850 9.635 ( -0.885 -2.234 -0.186) 2.410 9.960 ( 7.159 12.037 2.036) 14.152 10.556 ( -1.135 -1.423 0.111) 1.824 12.239 ( -0.126 0.159 -20.823) 20.824 18.329 ( -5.134 -8.833 -3.345) 10.751 19.474 ( -4.147 -6.998 18.145) 19.885 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 10.579 13.984 2.863) 17.767 1.245 ( 10.422 21.161 1.003) 23.610 1.990 ( 5.167 11.463 -0.427) 12.581 2.118 ( 21.490 21.305 4.441) 30.585 2.355 ( 2.494 1.993 -0.633) 3.255 2.544 ( -0.019 13.037 -14.152) 19.242 3.110 ( 23.568 6.427 17.168) 29.858 3.630 ( -0.946 -2.133 -16.057) 16.226 4.044 ( -6.799 -7.312 14.785) 17.840 4.065 ( 0.577 1.969 1.138) 2.346 4.550 ( 4.295 5.927 -5.338) 9.060 5.016 ( -2.081 -1.224 6.378) 6.819 9.587 ( -2.508 -1.651 0.181) 3.008 10.226 ( 10.256 10.062 3.280) 14.737 10.516 ( -2.107 -1.043 -0.160) 2.356 12.162 ( -2.364 -3.294 -12.387) 13.034 18.126 ( -7.532 -8.614 -3.328) 11.917 19.368 ( -5.056 -5.850 10.128) 12.743 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 11.474 11.568 1.390) 16.352 1.590 ( 6.943 20.273 -0.865) 21.446 2.159 ( -0.872 13.202 5.975) 14.517 2.429 ( 5.941 1.712 -4.415) 7.598 2.562 ( 0.015 6.689 -8.883) 11.119 2.620 ( 13.377 10.805 3.495) 17.547 3.516 ( 8.733 0.324 6.168) 10.697 3.597 ( 7.574 -2.316 1.078) 7.993 3.888 ( -6.674 -6.182 8.446) 12.413 4.104 ( -0.414 4.287 2.787) 5.130 4.728 ( 10.428 8.418 -6.471) 14.882 5.053 ( 5.467 4.432 -0.200) 7.041 9.524 ( -3.806 -0.542 0.385) 3.864 10.450 ( 0.940 0.661 0.700) 1.346 10.498 ( 5.691 5.141 2.768) 8.153 12.046 ( -3.570 -5.258 -8.089) 10.287 17.917 ( -7.365 -6.989 -2.752) 10.519 19.248 ( -5.100 -5.107 5.700) 9.197 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 11.336 8.240 -1.112) 14.059 1.857 ( 2.876 19.138 -2.501) 19.513 2.234 ( -3.731 7.882 7.353) 11.407 2.462 ( -3.359 -2.087 -2.355) 4.603 2.616 ( 4.576 10.655 -7.853) 14.005 2.927 ( 9.492 6.194 6.504) 13.068 3.502 ( -1.771 -1.797 -2.966) 3.894 3.665 ( -3.472 -6.179 7.941) 10.644 3.827 ( 4.047 -4.479 5.486) 8.157 4.129 ( -2.843 4.308 4.042) 6.556 5.003 ( 14.274 8.321 -7.069) 17.971 5.307 ( 15.997 9.179 -1.509) 18.505 9.456 ( -4.548 0.859 0.448) 4.650 10.408 ( -3.263 0.412 -0.376) 3.311 10.675 ( 7.065 2.176 3.439) 8.153 11.912 ( -3.618 -6.384 -5.228) 9.010 17.744 ( -5.746 -4.882 -1.950) 7.788 19.134 ( -4.373 -4.180 3.029) 6.766 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 10.124 4.239 -4.089) 11.712 2.033 ( -1.570 15.491 -3.093) 15.875 2.236 ( -1.966 1.180 3.625) 4.290 2.383 ( -5.758 3.855 4.210) 8.108 2.782 ( 3.132 11.479 -4.515) 12.727 3.089 ( 3.637 2.270 6.154) 7.500 3.430 ( -4.590 -3.451 3.062) 6.508 3.566 ( -1.505 -2.400 -3.747) 4.697 3.837 ( -0.062 -3.296 5.101) 6.073 4.119 ( -3.282 3.390 2.542) 5.360 5.302 ( 14.175 5.850 -5.013) 16.133 5.672 ( 16.807 7.134 -0.715) 18.272 9.396 ( -4.596 2.307 0.394) 5.158 10.360 ( -3.352 1.566 -0.330) 3.714 10.784 ( 4.850 -1.275 2.568) 5.634 11.787 ( -2.437 -6.616 -3.130) 7.715 17.624 ( -3.695 -2.936 -1.140) 4.855 19.042 ( -3.077 -3.091 1.410) 4.584 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 7.954 0.650 -6.078) 10.031 2.058 ( -3.499 0.640 2.300) 4.236 2.261 ( -1.356 8.977 -3.355) 9.679 2.366 ( -6.276 9.135 7.802) 13.553 2.900 ( -0.163 9.045 -1.935) 9.251 3.143 ( 0.681 0.374 4.041) 4.115 3.310 ( -5.412 -2.742 0.735) 6.111 3.556 ( 1.827 -0.532 -3.739) 4.196 3.806 ( -2.729 0.780 2.649) 3.882 4.105 ( -2.307 2.560 1.190) 3.646 5.532 ( 9.491 1.604 -1.927) 9.817 5.953 ( 10.856 2.152 -0.318) 11.072 9.353 ( -3.933 3.601 0.239) 5.338 10.328 ( -2.855 2.602 -0.199) 3.868 10.832 ( 3.333 -3.450 1.594) 5.055 11.698 ( -0.137 -5.890 -1.643) 6.117 17.557 ( -1.706 -1.382 -0.434) 2.238 18.982 ( -1.432 -1.937 0.417) 2.445 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 5.524 -1.845 -2.575) 6.368 1.999 ( -1.662 -3.558 2.950) 4.911 2.301 ( -4.074 10.521 -6.203) 12.874 2.360 ( -8.654 10.161 7.186) 15.158 2.940 ( -3.153 5.919 -0.485) 6.724 3.144 ( -0.914 -0.643 -2.071) 2.353 3.248 ( -0.445 1.398 0.935) 1.740 3.571 ( 1.359 -1.157 -1.542) 2.358 3.785 ( -2.617 3.547 0.226) 4.414 4.097 ( -1.548 2.253 0.130) 2.736 5.624 ( 2.248 -3.030 1.269) 3.981 6.055 ( 2.039 -3.464 -0.244) 4.027 9.337 ( -2.714 4.607 0.014) 5.347 10.316 ( -1.913 3.391 -0.013) 3.894 10.843 ( 2.307 -4.484 0.722) 5.094 11.668 ( 2.821 -4.388 -0.592) 5.250 17.537 ( 0.193 -0.173 0.147) 0.297 18.960 ( 0.379 -0.809 -0.239) 0.925 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -4.363 -7.856 8.235) 12.189 2.034 ( 4.206 2.156 -4.227) 6.341 2.294 ( -10.812 7.720 5.774) 14.486 2.310 ( -4.542 10.457 -8.147) 14.013 2.911 ( -6.663 4.693 0.932) 8.203 3.109 ( -1.503 -0.233 -5.359) 5.571 3.306 ( 3.956 2.616 -0.496) 4.769 3.571 ( 0.793 -1.668 0.395) 1.889 3.788 ( -0.504 2.878 -2.029) 3.557 4.097 ( -1.257 2.732 -0.925) 3.146 5.554 ( -5.456 -6.937 4.189) 9.769 5.953 ( -7.114 -8.379 -0.185) 10.993 9.351 ( -1.231 5.182 -0.220) 5.331 10.329 ( -0.761 3.796 0.180) 3.875 10.826 ( 0.888 -4.884 -0.089) 4.965 11.705 ( 5.669 -2.540 0.352) 6.222 17.561 ( 2.222 0.848 0.625) 2.459 18.977 ( 2.195 0.211 -0.766) 2.335 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -9.015 -8.526 6.748) 14.124 2.051 ( -10.632 8.472 1.571) 13.685 2.216 ( -4.378 4.013 -1.545) 6.136 2.350 ( 1.972 7.446 -5.332) 9.368 2.812 ( -10.495 3.643 3.652) 11.694 3.046 ( -4.097 -1.945 -5.787) 7.352 3.405 ( 5.289 2.304 -3.713) 6.860 3.583 ( 2.334 -1.023 0.729) 2.650 3.804 ( 1.502 -0.695 -3.653) 4.011 4.103 ( -1.415 3.629 -1.979) 4.369 5.343 ( -11.600 -8.988 6.387) 16.004 5.675 ( -14.173 -11.071 0.198) 17.985 9.393 ( 0.234 5.156 -0.404) 5.177 10.363 ( 0.373 3.674 0.332) 3.708 10.772 ( -1.762 -5.128 -0.864) 5.490 11.804 ( 7.620 -0.846 1.427) 7.798 17.632 ( 4.618 1.789 1.022) 5.057 19.032 ( 3.853 1.028 -1.313) 4.198 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -13.242 -7.526 4.937) 16.011 1.877 ( -18.333 6.758 3.035) 19.773 2.183 ( -6.167 7.591 -6.754) 11.886 2.473 ( 5.571 2.260 0.475) 6.030 2.669 ( -10.671 3.017 6.777) 12.996 2.885 ( -10.081 -4.940 -5.100) 12.330 3.495 ( 4.362 0.873 -5.855) 7.353 3.621 ( 3.266 -2.584 -2.881) 5.063 3.796 ( 1.251 -3.274 -3.085) 4.669 4.105 ( -2.151 3.830 -2.657) 5.134 5.054 ( -14.151 -8.478 6.942) 17.897 5.316 ( -15.445 -9.399 1.195) 18.119 9.453 ( 1.479 4.451 -0.506) 4.717 10.410 ( 1.311 2.971 0.421) 3.274 10.658 ( -5.786 -5.270 -1.420) 7.954 11.940 ( 8.252 0.333 2.558) 8.646 17.756 ( 7.389 2.593 1.310) 7.939 19.116 ( 5.147 1.525 -1.969) 5.719 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -16.164 -5.826 3.215) 17.480 1.600 ( -21.424 3.407 2.129) 21.797 2.111 ( -10.051 8.495 -7.279) 15.039 2.463 ( -4.324 -5.081 4.687) 8.154 2.575 ( -17.776 -6.477 -2.466) 19.080 2.649 ( -3.236 5.950 8.294) 10.708 3.413 ( -8.669 -11.896 -17.152) 22.603 3.642 ( 3.508 -0.811 7.537) 8.353 3.830 ( 5.546 1.323 -6.575) 8.703 4.087 ( -2.848 2.483 -1.870) 4.215 4.771 ( -12.352 -5.890 5.351) 14.693 5.058 ( -7.538 -3.315 1.294) 8.335 9.521 ( 2.342 3.183 -0.498) 3.983 10.446 ( -3.855 -2.364 -0.385) 4.539 10.486 ( -4.665 -0.710 -0.673) 4.766 12.087 ( 7.646 0.852 3.427) 8.422 17.932 ( 10.055 2.932 1.384) 10.564 19.218 ( 5.821 1.572 -2.662) 6.591 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -17.635 -3.620 1.532) 18.067 1.244 ( -23.889 0.521 0.936) 23.913 1.978 ( -11.642 4.684 -3.838) 13.123 2.095 ( -29.255 -7.389 -1.893) 30.233 2.371 ( -2.918 -4.285 3.648) 6.339 2.645 ( -10.797 8.381 13.992) 19.560 2.982 ( -18.101 -15.807 -18.311) 30.212 3.730 ( 4.254 0.348 8.662) 9.657 3.943 ( 8.055 1.698 -8.948) 12.158 4.059 ( -1.886 0.865 -0.737) 2.202 4.585 ( -6.624 -1.962 3.503) 7.746 4.989 ( -0.333 -0.030 -0.964) 1.020 9.586 ( 2.674 1.603 -0.340) 3.137 10.211 ( -13.853 -3.804 -0.899) 14.394 10.518 ( 1.981 1.114 0.261) 2.288 12.220 ( 6.191 0.729 3.409) 7.106 18.142 ( 11.515 2.230 1.039) 11.775 19.320 ( 5.593 1.061 -2.830) 6.357 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -17.391 0.000 0.000) 17.391 0.835 ( -25.084 0.000 0.000) 25.084 1.473 ( -39.170 0.000 0.000) 39.170 1.826 ( -8.419 0.000 0.000) 8.419 2.243 ( -16.318 0.000 0.000) 16.318 2.442 ( -13.633 0.000 0.000) 13.633 2.659 ( -6.754 0.000 0.000) 6.754 3.811 ( 3.507 -0.000 -0.000) 3.507 4.041 ( -0.729 0.000 0.000) 0.729 4.075 ( 7.665 -0.000 -0.000) 7.665 4.512 ( -2.310 0.000 0.000) 2.310 5.004 ( 1.691 -0.000 -0.000) 1.691 9.636 ( 2.387 -0.000 -0.000) 2.387 9.952 ( -13.888 0.000 0.000) 13.888 10.556 ( 1.790 -0.000 -0.000) 1.790 12.317 ( 4.293 -0.000 -0.000) 4.293 18.342 ( 10.370 -0.000 -0.000) 10.370 19.405 ( 4.345 -0.000 -0.000) 4.345 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 0.000 19.448 7.076) 20.695 0.962 ( 0.000 22.049 5.727) 22.781 1.696 ( 0.000 36.899 3.196) 37.037 1.738 ( 0.000 4.366 -8.943) 9.952 2.442 ( -0.000 2.895 4.977) 5.758 2.496 ( 0.000 30.952 0.484) 30.956 2.632 ( 0.000 5.669 -6.083) 8.316 3.651 ( 0.000 -2.627 -19.612) 19.787 4.030 ( 0.000 0.076 -0.630) 0.634 4.171 ( -0.000 -8.466 16.693) 18.717 4.513 ( 0.000 5.875 -2.592) 6.421 5.093 ( -0.000 -5.455 15.963) 16.869 9.608 ( -0.000 -3.292 -0.679) 3.362 10.045 ( 0.000 15.305 2.613) 15.527 10.547 ( -0.000 -2.279 0.514) 2.336 12.196 ( 0.000 0.283 -20.073) 20.075 18.267 ( -0.000 -10.799 -3.711) 11.419 19.473 ( -0.000 -9.212 17.430) 19.714 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 3.546 18.847 8.792) 21.097 1.285 ( 10.511 21.112 4.717) 24.051 1.884 ( 12.643 5.671 -8.499) 16.256 2.105 ( 9.144 27.766 3.320) 29.421 2.444 ( -3.802 5.503 5.656) 8.759 2.678 ( -1.587 11.043 -16.399) 19.834 2.882 ( 13.896 15.474 11.664) 23.845 3.585 ( -0.395 -1.120 -15.900) 15.944 4.049 ( 1.900 0.339 -0.417) 1.975 4.091 ( -3.382 -8.755 14.441) 17.223 4.579 ( 0.359 8.950 -1.877) 9.152 5.060 ( -2.388 -2.185 9.257) 9.807 9.580 ( 0.456 -3.251 -0.461) 3.315 10.233 ( 3.833 14.064 3.903) 15.091 10.522 ( -0.355 -2.177 0.307) 2.227 12.133 ( -1.565 -2.584 -14.637) 14.946 18.119 ( -3.751 -10.618 -3.672) 11.844 19.395 ( -2.951 -8.430 11.873) 14.858 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 5.102 16.093 7.860) 18.622 1.676 ( 9.484 21.801 2.488) 23.905 2.161 ( 13.782 6.441 -6.081) 16.383 2.443 ( -2.908 4.592 3.619) 6.530 2.513 ( 11.177 16.992 4.459) 20.821 2.693 ( -3.624 9.932 -12.778) 16.585 3.270 ( 17.315 3.035 11.315) 20.906 3.543 ( -0.516 -0.044 -10.195) 10.208 3.948 ( -5.787 -8.263 9.041) 13.546 4.121 ( 3.326 2.579 2.513) 4.902 4.702 ( 3.050 12.140 -2.432) 12.751 5.048 ( 0.090 3.126 2.241) 3.848 9.555 ( -0.494 -1.675 -0.147) 1.753 10.428 ( 4.134 7.688 4.048) 9.622 10.504 ( 0.133 0.513 0.760) 0.926 12.025 ( -3.120 -5.344 -10.248) 11.971 17.939 ( -5.225 -8.791 -3.119) 10.691 19.282 ( -4.031 -7.203 7.071) 10.869 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 5.599 12.348 5.382) 14.587 2.007 ( 4.540 21.936 -0.157) 22.401 2.322 ( 0.043 -2.225 -1.132) 2.497 2.468 ( 3.091 3.916 -0.468) 5.011 2.723 ( -2.261 18.241 -8.645) 20.312 2.846 ( 9.865 8.984 6.369) 14.785 3.498 ( 0.199 -0.891 -3.318) 3.441 3.542 ( 10.952 -6.566 7.894) 15.012 3.799 ( -4.791 -5.422 3.242) 7.929 4.203 ( 1.125 3.224 5.221) 6.239 4.893 ( 6.938 11.498 -4.587) 14.191 5.177 ( 8.916 8.733 -1.115) 12.530 9.530 ( -2.132 0.954 0.072) 2.337 10.457 ( -1.604 0.679 0.015) 1.742 10.606 ( 4.638 3.262 4.537) 7.262 11.885 ( -3.530 -7.606 -7.035) 10.946 17.774 ( -4.884 -6.301 -2.253) 8.284 19.164 ( -3.955 -5.879 3.788) 8.034 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 5.280 8.002 2.213) 9.839 2.210 ( -4.876 -2.627 -0.101) 5.540 2.254 ( 1.953 14.447 -3.610) 15.018 2.539 ( -1.770 7.438 3.210) 8.292 2.887 ( 0.136 19.116 -5.528) 19.900 3.056 ( 5.730 3.915 6.654) 9.614 3.456 ( -1.742 -2.053 -0.292) 2.708 3.560 ( -1.725 -6.897 1.996) 7.384 3.776 ( 4.499 -1.091 1.369) 4.828 4.233 ( -3.142 4.353 5.105) 7.408 5.126 ( 11.218 7.395 -5.113) 14.376 5.468 ( 14.864 7.686 -0.587) 16.744 9.504 ( -3.761 3.865 0.189) 5.396 10.436 ( -2.719 2.643 -0.194) 3.797 10.693 ( 4.080 -2.125 3.847) 5.997 11.738 ( -2.491 -9.167 -4.597) 10.553 17.650 ( -3.623 -3.948 -1.340) 5.524 19.061 ( -3.118 -4.505 1.736) 5.748 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 4.511 3.368 -0.601) 5.661 2.079 ( -2.511 -8.286 1.459) 8.780 2.407 ( -1.768 16.490 -5.395) 17.439 2.585 ( -4.488 11.275 5.575) 13.354 3.018 ( -1.704 11.812 -1.693) 12.054 3.147 ( 1.045 1.388 4.049) 4.406 3.376 ( -5.079 -2.833 1.926) 6.126 3.506 ( 1.679 -1.714 -3.906) 4.584 3.853 ( 1.456 5.217 0.460) 5.436 4.218 ( -5.471 5.754 3.433) 8.650 5.358 ( 11.619 1.746 -2.583) 12.030 5.762 ( 13.638 2.232 -0.219) 13.821 9.481 ( -4.888 6.406 0.199) 8.060 10.419 ( -3.450 4.528 -0.198) 5.695 10.726 ( 3.890 -6.048 2.767) 7.705 11.615 ( -0.035 -9.675 -2.794) 10.070 17.571 ( -2.091 -2.102 -0.561) 3.017 18.985 ( -1.793 -3.159 0.525) 3.670 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 4.510 -0.842 -0.743) 4.648 1.985 ( -0.931 -6.387 1.929) 6.737 2.483 ( -4.520 13.379 -5.676) 15.220 2.630 ( -6.618 13.327 6.290) 16.154 3.052 ( -3.271 4.886 -0.351) 5.890 3.150 ( -0.850 -0.670 0.715) 1.297 3.301 ( -3.042 2.476 -1.056) 4.062 3.524 ( 2.143 -1.292 -1.561) 2.950 3.914 ( -3.956 11.140 -1.299) 11.893 4.185 ( -5.205 5.280 1.747) 7.617 5.511 ( 7.503 -3.508 0.836) 8.324 5.935 ( 7.649 -3.821 -0.412) 8.560 9.467 ( -5.168 8.060 0.083) 9.575 10.409 ( -3.580 5.741 -0.098) 6.766 10.729 ( 4.126 -7.956 1.754) 9.132 11.547 ( 3.370 -8.862 -1.540) 9.606 17.536 ( -0.515 -0.787 0.018) 0.940 18.945 ( -0.192 -1.911 -0.165) 1.928 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 1.892 -6.169 7.066) 9.569 1.941 ( 2.702 -1.001 -5.547) 6.251 2.500 ( -6.027 11.564 -4.779) 13.889 2.620 ( -11.747 12.173 6.515) 18.128 3.027 ( -2.169 2.506 -4.111) 5.280 3.144 ( -1.262 2.237 0.253) 2.581 3.302 ( -0.564 3.522 -0.872) 3.672 3.533 ( 1.116 -1.957 -0.635) 2.340 3.911 ( -8.262 9.930 -1.651) 13.023 4.167 ( -3.079 5.333 -0.493) 6.178 5.535 ( 0.811 -7.172 4.011) 8.257 5.932 ( -0.511 -8.791 -0.831) 8.845 9.466 ( -4.522 8.461 -0.098) 9.594 10.410 ( -3.071 6.011 0.052) 6.751 10.722 ( 3.985 -8.102 0.883) 9.072 11.554 ( 6.847 -6.831 -0.611) 9.691 17.539 ( 1.190 0.127 0.407) 1.264 18.942 ( 1.512 -0.833 -0.557) 1.814 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -5.341 -6.312 5.529) 9.947 2.042 ( 8.688 0.986 -4.049) 9.636 2.482 ( -9.040 7.965 1.658) 12.162 2.515 ( -12.883 12.122 -0.662) 17.702 3.011 ( -3.114 3.717 -3.180) 5.799 3.118 ( -6.696 4.371 0.598) 8.019 3.345 ( 2.887 2.114 -2.241) 4.222 3.527 ( 1.386 -2.722 -1.226) 3.291 3.839 ( -6.569 2.899 -1.092) 7.263 4.174 ( -2.589 5.927 -2.252) 6.849 5.424 ( -6.230 -8.447 6.154) 12.167 5.756 ( -8.306 -11.129 -1.125) 13.932 9.478 ( -3.196 7.496 -0.225) 8.152 10.421 ( -2.109 5.216 0.167) 5.628 10.706 ( 2.462 -7.039 0.113) 7.458 11.638 ( 9.435 -4.199 0.217) 10.330 17.581 ( 3.232 0.766 0.633) 3.382 18.975 ( 3.160 -0.005 -0.794) 3.258 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -9.955 -4.746 3.609) 11.605 2.190 ( 4.930 4.359 -2.911) 7.196 2.310 ( -15.971 5.445 4.398) 17.438 2.490 ( -4.024 7.497 -3.816) 9.325 2.951 ( -8.544 4.158 -0.247) 9.505 3.000 ( -12.462 4.040 2.140) 13.274 3.411 ( 3.865 0.002 -6.254) 7.352 3.526 ( 3.197 -4.487 -1.817) 5.801 3.768 ( -1.975 -1.553 0.258) 2.526 4.177 ( -2.587 4.542 -2.645) 5.858 5.211 ( -11.618 -7.189 6.182) 14.996 5.468 ( -13.061 -9.230 -0.726) 16.010 9.501 ( -1.532 5.379 -0.262) 5.599 10.439 ( -0.874 3.537 0.223) 3.651 10.662 ( -0.934 -5.196 -0.445) 5.298 11.779 ( 10.528 -1.834 0.880) 10.723 17.665 ( 5.736 1.126 0.695) 5.886 19.040 ( 4.575 0.474 -0.923) 4.691 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -13.897 -2.674 1.876) 14.276 2.020 ( -22.023 4.842 1.618) 22.606 2.299 ( -1.484 5.561 -3.799) 6.897 2.476 ( -2.186 -1.617 0.894) 2.862 2.781 ( -12.870 -3.182 -2.239) 13.445 2.856 ( -11.408 10.044 7.234) 16.834 3.368 ( -2.696 -8.268 -10.394) 13.552 3.570 ( 5.224 -0.972 2.145) 5.730 3.761 ( 2.223 -0.252 -0.509) 2.295 4.158 ( -3.055 2.119 -1.643) 4.065 4.951 ( -13.684 -4.083 3.317) 14.660 5.189 ( -11.693 -3.660 0.375) 12.258 9.528 ( 0.212 2.630 -0.202) 2.647 10.458 ( 0.036 1.325 0.179) 1.337 10.569 ( -5.435 -2.597 -0.520) 6.046 11.945 ( 10.109 -0.359 1.015) 10.166 17.796 ( 8.505 1.002 0.530) 8.580 19.128 ( 5.554 0.502 -0.824) 5.637 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -16.682 0.000 0.000) 16.682 1.659 ( -24.150 0.000 0.000) 24.150 2.214 ( -11.955 0.000 0.000) 11.955 2.402 ( -3.323 0.000 0.000) 3.323 2.480 ( -20.926 0.000 0.000) 20.926 2.823 ( -2.875 0.000 0.000) 2.875 3.154 ( -14.531 0.000 0.000) 14.531 3.660 ( 5.303 -0.000 -0.000) 5.303 3.825 ( 5.540 -0.000 -0.000) 5.540 4.110 ( -3.399 0.000 0.000) 3.399 4.723 ( -11.100 0.000 0.000) 11.100 5.030 ( -5.476 0.000 0.000) 5.476 9.556 ( 1.737 -0.000 -0.000) 1.737 10.397 ( -9.839 0.000 0.000) 9.839 10.500 ( 0.466 -0.000 -0.000) 0.466 12.102 ( 8.552 -0.000 -0.000) 8.552 17.964 ( 10.828 -0.000 -0.000) 10.828 19.226 ( 5.900 -0.000 -0.000) 5.900 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 20.973 12.322) 24.325 1.383 ( 0.000 18.524 6.173) 19.526 1.788 ( 0.000 5.466 -8.924) 10.465 2.305 ( 0.000 24.509 2.005) 24.591 2.531 ( -0.000 4.073 3.502) 5.371 2.658 ( 0.000 -0.690 -6.568) 6.604 3.043 ( 0.000 23.249 0.491) 23.254 3.556 ( 0.000 1.822 -12.817) 12.946 4.031 ( 0.000 0.306 -0.377) 0.485 4.059 ( -0.000 -9.922 12.518) 15.973 4.680 ( 0.000 12.881 -0.582) 12.894 5.089 ( -0.000 0.061 7.309) 7.309 9.533 ( -0.000 -4.061 -0.525) 4.095 10.359 ( 0.000 14.873 4.700) 15.598 10.497 ( -0.000 -3.091 0.389) 3.116 12.088 ( 0.000 -3.158 -13.339) 13.707 18.036 ( -0.000 -10.849 -3.570) 11.422 19.359 ( -0.000 -9.268 10.062) 13.680 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -0.282 19.254 12.248) 22.821 1.682 ( 12.168 17.054 5.244) 21.596 1.951 ( 13.275 5.897 -7.034) 16.139 2.489 ( -0.035 3.460 -3.763) 5.112 2.597 ( 1.728 13.470 3.741) 14.087 2.692 ( 6.282 1.231 -4.712) 7.948 3.222 ( 0.857 11.395 2.879) 11.784 3.551 ( -1.345 3.564 -8.028) 8.886 3.961 ( -3.321 -8.511 7.971) 12.125 4.074 ( 3.982 0.578 1.963) 4.477 4.822 ( -0.035 16.679 0.102) 16.679 5.108 ( -1.502 5.202 2.396) 5.921 9.511 ( 1.904 -3.573 -0.316) 4.061 10.467 ( 0.061 -0.829 0.941) 1.255 10.518 ( 1.235 9.966 4.715) 11.094 12.001 ( -2.544 -4.854 -10.646) 11.974 17.907 ( -2.433 -9.368 -3.077) 10.156 19.274 ( -2.078 -8.523 6.811) 11.106 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.098 15.623 10.159) 18.636 2.063 ( 11.633 14.551 1.561) 18.695 2.212 ( 10.401 3.760 -3.155) 11.501 2.433 ( 0.992 -4.163 -6.863) 8.088 2.806 ( 5.603 11.355 4.316) 13.377 2.867 ( 7.541 11.178 -2.247) 13.670 3.328 ( 5.611 -0.726 4.257) 7.081 3.524 ( -2.806 0.778 -4.218) 5.125 3.834 ( -4.697 -6.067 3.948) 8.629 4.169 ( 5.357 0.587 3.708) 6.542 4.986 ( -0.693 17.547 -0.259) 17.562 5.177 ( 1.767 10.119 -1.461) 10.376 9.523 ( 2.469 -1.526 -0.141) 2.906 10.463 ( 0.872 -1.013 0.151) 1.345 10.624 ( 0.003 6.313 5.427) 8.325 11.863 ( -4.385 -6.903 -7.966) 11.417 17.773 ( -3.260 -6.983 -2.281) 8.037 19.168 ( -2.901 -7.118 3.894) 8.616 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -0.032 11.226 7.372) 13.430 2.146 ( -0.757 -10.553 -6.154) 12.240 2.396 ( 3.411 15.072 0.729) 15.470 2.547 ( 8.368 5.907 -1.490) 10.350 3.006 ( 6.552 6.347 5.203) 10.502 3.078 ( 0.289 16.315 -2.197) 16.465 3.427 ( 8.378 -7.589 2.976) 11.690 3.469 ( -1.583 -1.281 -0.729) 2.163 3.741 ( -1.172 -0.134 -0.735) 1.390 4.270 ( 4.235 1.491 4.930) 6.668 5.120 ( -0.378 13.637 -2.992) 13.967 5.359 ( 7.714 9.980 -0.708) 12.634 9.558 ( 1.390 1.905 -0.045) 2.359 10.477 ( 0.533 1.304 -0.045) 1.410 10.661 ( -0.768 0.230 4.882) 4.948 11.694 ( -4.566 -8.992 -5.652) 11.560 17.661 ( -2.945 -4.553 -1.396) 5.599 19.066 ( -2.750 -5.538 1.840) 6.451 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -0.540 5.627 4.960) 7.520 2.006 ( -0.739 -10.689 -4.214) 11.514 2.556 ( 0.724 11.900 -1.768) 12.053 2.713 ( 2.349 9.468 1.616) 9.888 3.135 ( 0.678 2.018 6.355) 6.703 3.166 ( -1.327 7.956 -2.570) 8.466 3.423 ( -2.161 -1.822 2.407) 3.713 3.445 ( 1.793 -3.612 -3.358) 5.248 3.855 ( 7.060 10.418 -2.170) 12.771 4.356 ( -0.134 6.237 5.116) 8.068 5.235 ( 3.912 5.894 -3.216) 7.771 5.582 ( 10.218 4.092 0.107) 11.007 9.602 ( -0.935 6.103 0.009) 6.174 10.501 ( -0.805 3.820 -0.150) 3.907 10.636 ( -0.029 -5.173 3.866) 6.458 11.524 ( -2.610 -10.797 -3.770) 11.730 17.582 ( -2.066 -2.578 -0.629) 3.364 18.983 ( -1.935 -3.994 0.586) 4.477 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.127 -1.305 5.093) 5.259 1.918 ( 0.765 -5.844 -4.025) 7.137 2.648 ( -1.953 10.524 -2.517) 10.996 2.821 ( -0.874 9.738 2.842) 10.181 3.127 ( -2.667 0.367 1.695) 3.182 3.170 ( -2.083 -0.511 0.758) 2.275 3.366 ( -2.726 1.579 -2.710) 4.156 3.472 ( 2.785 -0.798 0.242) 2.907 4.068 ( 2.343 16.719 -3.973) 17.343 4.390 ( -7.445 10.686 4.397) 13.746 5.343 ( 7.353 -2.582 -0.386) 7.802 5.752 ( 9.049 -3.095 -0.149) 9.565 9.639 ( -3.949 9.852 -0.011) 10.614 10.512 ( -1.369 1.717 0.080) 2.197 10.601 ( 1.088 -4.644 2.510) 5.390 11.397 ( 1.529 -11.616 -2.345) 11.949 17.539 ( -0.965 -1.192 -0.085) 1.536 18.930 ( -0.703 -2.595 -0.087) 2.690 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 2.539 -4.728 7.601) 9.304 1.885 ( 1.124 -2.117 -6.420) 6.852 2.682 ( -4.554 9.141 -2.517) 10.518 2.883 ( -4.317 9.051 5.262) 11.324 3.060 ( -3.399 -0.862 -4.131) 5.418 3.157 ( 0.619 0.359 2.182) 2.297 3.347 ( -1.242 2.012 -3.375) 4.121 3.502 ( 1.305 -0.689 1.298) 1.965 4.204 ( -6.257 18.566 -5.585) 20.372 4.332 ( -10.954 8.865 3.243) 14.460 5.415 ( 6.026 -7.012 3.417) 9.856 5.809 ( 4.433 -8.520 -1.037) 9.661 9.654 ( -6.407 11.005 -0.114) 12.735 10.502 ( 1.481 -2.965 0.350) 3.333 10.591 ( -0.538 -0.201 1.283) 1.406 11.354 ( 6.696 -10.110 -1.280) 12.194 17.526 ( 0.301 -0.316 0.226) 0.492 18.910 ( 0.753 -1.416 -0.384) 1.650 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -0.148 -4.899 5.564) 7.415 1.909 ( 5.587 0.099 -4.721) 7.315 2.662 ( -6.098 6.435 -1.658) 9.019 2.840 ( -11.178 6.835 4.839) 13.967 3.032 ( 0.216 1.686 -5.056) 5.334 3.194 ( 1.762 1.519 1.564) 2.803 3.345 ( 0.169 1.276 -2.471) 2.786 3.505 ( -0.569 -0.693 0.819) 1.214 4.109 ( -18.064 9.494 -1.464) 20.459 4.300 ( -4.776 8.491 -1.958) 9.937 5.414 ( 0.372 -6.701 5.577) 8.725 5.734 ( -1.942 -10.001 -1.888) 10.362 9.637 ( -6.656 8.489 -0.160) 10.788 10.510 ( 0.371 0.484 0.049) 0.612 10.581 ( 1.224 -2.920 0.729) 3.249 11.419 ( 10.522 -6.186 -0.443) 12.214 17.544 ( 1.849 0.170 0.335) 1.887 18.925 ( 2.266 -0.534 -0.446) 2.371 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -5.389 -2.427 1.896) 6.207 2.040 ( 10.112 0.310 -1.454) 10.221 2.589 ( -8.439 2.610 0.281) 8.838 2.700 ( -12.868 5.616 0.754) 14.060 3.020 ( -2.667 0.299 -2.660) 3.779 3.243 ( -0.142 4.413 3.252) 5.484 3.374 ( 1.045 2.472 -1.970) 3.329 3.457 ( -3.189 -3.665 -1.636) 5.127 3.878 ( -13.285 1.264 -0.285) 13.348 4.275 ( -4.909 4.232 -1.728) 6.707 5.323 ( -6.555 -3.886 4.291) 8.745 5.564 ( -7.837 -6.308 -1.540) 10.177 9.600 ( -4.869 4.107 -0.106) 6.371 10.504 ( -2.820 2.511 0.040) 3.776 10.592 ( 3.486 -3.731 0.116) 5.107 11.570 ( 12.025 -2.256 0.073) 12.235 17.594 ( 3.812 0.310 0.266) 3.834 18.972 ( 3.676 -0.032 -0.337) 3.691 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -10.126 0.000 0.000) 10.126 2.217 ( 10.043 -0.000 -0.000) 10.043 2.387 ( -17.869 0.000 0.000) 17.869 2.560 ( -7.042 0.000 0.000) 7.042 2.932 ( -7.441 0.000 0.000) 7.441 3.188 ( -17.704 0.000 0.000) 17.704 3.316 ( 1.677 -0.000 -0.000) 1.677 3.474 ( 5.555 -0.000 -0.000) 5.555 3.755 ( -2.396 0.000 0.000) 2.396 4.221 ( -3.607 0.000 0.000) 3.607 5.152 ( -11.849 0.000 0.000) 11.849 5.367 ( -11.552 0.000 0.000) 11.552 9.559 ( -2.328 0.000 0.000) 2.328 10.478 ( -1.500 0.000 0.000) 1.500 10.604 ( -0.417 0.000 0.000) 0.417 11.760 ( 11.702 -0.000 -0.000) 11.702 17.678 ( 6.158 -0.000 -0.000) 6.158 19.043 ( 4.819 -0.000 -0.000) 4.819 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.000 20.921 13.762) 25.041 1.692 ( 0.000 9.801 1.848) 9.973 1.895 ( 0.000 10.108 -2.070) 10.318 2.452 ( 0.000 -9.214 -11.191) 14.496 2.624 ( 0.000 4.449 0.143) 4.452 2.734 ( 0.000 12.699 3.274) 13.114 3.311 ( 0.000 4.961 0.396) 4.977 3.598 ( 0.000 4.142 -4.492) 6.110 3.936 ( -0.000 -7.295 8.234) 11.001 4.039 ( 0.000 0.610 0.225) 0.650 4.999 ( 0.000 19.178 1.366) 19.226 5.201 ( 0.000 10.605 -0.260) 10.608 9.452 ( -0.000 -4.071 -0.151) 4.074 10.435 ( -0.000 -3.437 0.099) 3.438 10.638 ( -0.000 11.214 5.920) 12.681 11.953 ( 0.000 -5.148 -9.575) 10.872 17.833 ( -0.000 -8.507 -2.677) 8.919 19.222 ( -0.000 -8.506 5.202) 9.971 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -3.135 16.255 11.010) 19.882 1.917 ( 13.120 6.350 -1.921) 14.702 2.117 ( 10.767 12.642 3.042) 16.882 2.315 ( 1.012 -11.886 -10.354) 15.796 2.748 ( 9.939 4.832 -1.556) 11.161 2.865 ( 1.598 9.443 4.473) 10.570 3.328 ( -0.893 0.965 0.407) 1.377 3.578 ( -3.195 -0.578 -2.248) 3.949 3.859 ( -3.411 -4.815 4.286) 7.293 4.090 ( 4.485 -0.077 2.027) 4.922 5.187 ( -0.403 19.338 2.365) 19.486 5.301 ( -2.445 14.944 -3.319) 15.502 9.444 ( 3.293 -3.281 0.009) 4.649 10.418 ( 1.790 -2.836 -0.036) 3.353 10.732 ( -2.006 8.014 5.914) 10.160 11.851 ( -3.356 -6.034 -7.828) 10.438 17.740 ( -1.446 -6.653 -2.019) 7.102 19.142 ( -1.417 -7.449 3.234) 8.243 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -3.639 12.132 9.836) 16.036 2.027 ( 0.632 -9.782 -8.643) 13.068 2.327 ( 14.270 0.540 -6.121) 15.537 2.464 ( 10.393 13.109 5.167) 17.508 2.989 ( 3.640 5.438 5.524) 8.564 3.036 ( 17.204 6.200 -1.700) 18.366 3.311 ( -1.192 -1.309 0.813) 1.948 3.496 ( -3.398 -2.555 -1.277) 4.439 3.774 ( -2.912 -1.153 0.220) 3.140 4.181 ( 6.380 -0.724 3.190) 7.169 5.339 ( -5.245 18.083 0.771) 18.844 5.401 ( 0.312 13.267 -2.753) 13.554 9.496 ( 5.526 -1.257 0.044) 5.667 10.442 ( 3.365 -1.155 -0.111) 3.560 10.745 ( -4.821 3.535 5.326) 8.007 11.692 ( -5.891 -7.201 -5.948) 11.043 17.654 ( -1.901 -4.526 -1.267) 5.070 19.054 ( -1.967 -5.906 1.608) 6.429 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -2.339 -6.715 2.652) 7.589 1.931 ( -2.471 2.637 -2.926) 4.650 2.551 ( 9.764 3.931 -1.658) 10.656 2.727 ( 6.073 9.652 1.061) 11.453 3.115 ( 4.568 2.679 6.274) 8.210 3.259 ( -3.438 -0.528 0.011) 3.478 3.321 ( 9.598 -0.037 -2.177) 9.842 3.439 ( -0.808 -1.422 0.185) 1.646 3.816 ( 7.128 8.150 -2.966) 11.226 4.317 ( 8.918 1.373 4.202) 9.954 5.368 ( -8.026 13.042 -2.639) 15.540 5.533 ( 2.542 7.802 0.505) 8.222 9.598 ( 6.021 2.085 -0.013) 6.372 10.502 ( 3.499 1.133 -0.144) 3.681 10.671 ( -6.285 -1.105 4.359) 7.728 11.498 ( -6.613 -8.627 -4.220) 11.661 17.587 ( -1.689 -2.674 -0.605) 3.220 18.976 ( -1.781 -4.267 0.543) 4.655 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 1.061 -9.774 1.175) 9.901 1.915 ( -3.989 3.997 -0.918) 5.721 2.714 ( 4.228 6.151 -0.169) 7.466 2.863 ( 3.120 4.410 0.107) 5.403 3.167 ( -1.884 -1.051 2.433) 3.251 3.198 ( -1.654 -0.651 -0.266) 1.798 3.409 ( 0.761 0.951 -3.593) 3.794 3.414 ( 1.494 -0.814 3.099) 3.535 4.102 ( 11.212 14.361 -4.447) 18.755 4.514 ( 7.460 6.975 5.406) 11.556 5.322 ( -6.554 4.606 -2.355) 8.350 5.623 ( 3.478 0.102 0.644) 3.539 9.730 ( 4.349 6.931 -0.149) 8.184 10.491 ( -4.622 -6.256 1.721) 7.966 10.631 ( 1.521 4.578 1.495) 5.050 11.300 ( -4.576 -10.538 -2.839) 11.834 17.544 ( -1.119 -1.329 -0.146) 1.743 18.919 ( -1.058 -2.746 -0.021) 2.943 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 3.274 -6.295 4.107) 8.199 1.873 ( -2.925 1.174 -3.408) 4.642 2.802 ( -0.986 6.324 -0.483) 6.418 2.945 ( 3.091 2.274 0.862) 3.933 3.106 ( -3.342 -1.240 -0.751) 3.642 3.167 ( -1.444 -0.332 1.430) 2.059 3.376 ( -2.004 0.870 -3.170) 3.850 3.474 ( 2.515 0.049 2.139) 3.302 4.361 ( 3.800 13.912 -4.596) 15.136 4.654 ( -6.315 13.007 3.815) 14.954 5.266 ( 1.938 -4.893 0.771) 5.319 5.654 ( 3.841 -6.230 -0.319) 7.326 9.853 ( -1.772 12.352 -0.377) 12.484 10.350 ( 0.392 -12.537 1.563) 12.640 10.713 ( -1.948 9.323 0.834) 9.560 11.157 ( 2.365 -12.122 -1.804) 12.481 17.523 ( -0.326 -0.490 0.086) 0.595 18.889 ( 0.011 -1.468 -0.222) 1.485 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 3.176 -2.921 4.133) 5.975 1.846 ( 0.665 0.119 -3.668) 3.730 2.799 ( -4.651 3.456 -0.593) 5.824 3.009 ( -0.405 1.600 5.523) 5.765 3.032 ( -2.871 0.523 -5.171) 5.938 3.169 ( 1.439 0.105 0.814) 1.657 3.347 ( -1.142 0.112 -2.148) 2.436 3.506 ( 0.844 0.075 1.103) 1.391 4.458 ( -3.833 8.205 -2.778) 9.473 4.530 ( -19.959 7.753 0.590) 21.420 5.312 ( 6.564 -4.013 3.380) 8.403 5.639 ( 2.303 -6.497 -1.265) 7.009 9.857 ( -9.863 8.390 -0.239) 12.951 10.332 ( 9.334 -8.290 0.661) 12.501 10.705 ( -7.487 5.434 0.324) 9.257 11.177 ( 10.907 -6.382 -0.640) 12.653 17.524 ( 0.710 -0.069 0.122) 0.724 18.890 ( 1.260 -0.525 -0.188) 1.377 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.423 0.000 0.000) 0.423 1.899 ( 6.233 -0.000 -0.000) 6.233 2.721 ( -6.401 0.000 0.000) 6.401 2.913 ( -8.988 0.000 0.000) 8.988 3.045 ( -0.111 0.000 0.000) 0.111 3.212 ( 3.179 -0.000 -0.000) 3.179 3.343 ( 1.345 -0.000 -0.000) 1.345 3.505 ( -1.501 0.000 0.000) 1.501 4.204 ( -22.029 0.000 0.000) 22.029 4.398 ( -6.673 0.000 0.000) 6.673 5.363 ( 0.433 -0.000 -0.000) 0.433 5.609 ( -1.934 0.000 0.000) 1.934 9.733 ( -8.429 0.000 0.000) 8.429 10.453 ( 8.213 -0.000 -0.000) 8.213 10.611 ( -6.010 0.000 0.000) 6.010 11.351 ( 12.559 -0.000 -0.000) 12.559 17.546 ( 2.080 -0.000 -0.000) 2.080 18.919 ( 2.529 -0.000 -0.000) 2.529 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 3.418 -3.154) 4.650 2.002 ( 0.000 16.637 6.245) 17.771 2.133 ( -0.000 11.435 5.956) 12.893 2.147 ( 0.000 -12.856 -7.204) 14.737 2.696 ( 0.000 3.824 -3.481) 5.171 2.940 ( -0.000 6.133 5.142) 8.004 3.337 ( -0.000 -0.595 -0.145) 0.612 3.576 ( -0.000 -4.272 -1.462) 4.516 3.856 ( -0.000 -5.064 3.968) 6.433 4.055 ( -0.000 0.806 0.804) 1.139 5.372 ( 0.000 17.555 2.003) 17.669 5.487 ( 0.000 18.767 -3.466) 19.084 9.380 ( -0.000 -3.399 0.197) 3.405 10.370 ( -0.000 -3.164 -0.168) 3.169 10.841 ( -0.000 6.982 5.808) 9.082 11.807 ( 0.000 -5.732 -6.894) 8.966 17.689 ( -0.000 -5.462 -1.542) 5.676 19.091 ( -0.000 -6.801 2.160) 7.135 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 1.881 -7.540 -4.800) 9.134 1.994 ( 7.764 -2.362 -8.126) 11.484 2.138 ( -1.701 10.150 5.820) 11.823 2.420 ( 11.591 13.154 7.700) 19.149 2.815 ( 11.348 3.312 -3.993) 12.477 3.005 ( 1.266 2.501 6.573) 7.146 3.323 ( -0.602 -0.955 -0.115) 1.135 3.506 ( -2.129 -4.716 -1.625) 5.424 3.796 ( -1.797 -3.690 1.038) 4.234 4.096 ( 3.561 0.044 1.562) 3.889 5.527 ( -0.724 14.696 1.080) 14.754 5.618 ( -4.724 17.755 -2.716) 18.572 9.388 ( 4.384 -2.501 0.242) 5.053 10.366 ( 2.924 -2.381 -0.218) 3.777 10.877 ( -4.041 4.481 5.136) 7.923 11.704 ( -4.028 -5.682 -5.500) 8.875 17.633 ( -0.835 -3.871 -0.983) 4.080 19.026 ( -0.957 -5.481 1.127) 5.677 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -0.447 -13.293 -7.108) 15.080 2.101 ( -4.854 9.412 4.651) 11.567 2.326 ( 16.639 1.299 -2.647) 16.898 2.711 ( 7.359 9.536 2.713) 12.347 3.070 ( 8.845 -0.755 8.026) 11.967 3.089 ( 10.968 2.297 -2.496) 11.481 3.302 ( -0.633 -0.663 0.215) 0.942 3.434 ( -1.032 -2.162 -1.984) 3.110 3.771 ( 2.594 0.522 -1.677) 3.132 4.185 ( 7.154 -0.022 2.341) 7.527 5.623 ( -2.525 10.312 -1.859) 10.778 5.653 ( -8.646 13.485 0.464) 16.025 9.476 ( 7.981 -0.887 0.161) 8.032 10.421 ( 5.506 -0.869 -0.186) 5.577 10.814 ( -8.242 1.516 4.003) 9.287 11.542 ( -7.363 -5.651 -3.926) 10.077 17.585 ( -1.120 -2.347 -0.488) 2.646 18.963 ( -1.331 -3.886 0.398) 4.127 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 1.778 -9.542 -3.666) 10.375 2.071 ( -7.722 5.571 2.739) 9.907 2.599 ( 13.760 1.938 -0.880) 13.924 2.846 ( 2.531 2.421 0.220) 3.509 3.174 ( 1.625 0.477 2.765) 3.242 3.203 ( 1.295 -0.590 -0.364) 1.469 3.323 ( 5.159 -1.616 1.774) 5.690 3.431 ( 0.084 0.660 -1.404) 1.553 3.955 ( 15.746 6.419 -3.264) 17.315 4.363 ( 12.956 1.384 3.232) 13.424 5.570 ( -12.639 8.811 -3.251) 15.747 5.650 ( -3.364 3.470 2.184) 5.303 9.633 ( 10.385 1.387 0.024) 10.477 10.514 ( 3.734 0.160 -0.031) 3.738 10.672 ( -7.840 -0.312 2.641) 8.279 11.340 ( -9.337 -5.681 -2.457) 11.202 17.549 ( -1.029 -1.162 -0.151) 1.560 18.913 ( -1.174 -2.318 0.018) 2.599 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 4.178 -4.412 -0.448) 6.093 1.979 ( -7.603 1.799 0.453) 7.826 2.806 ( 8.002 3.267 0.510) 8.658 2.885 ( 2.167 -1.002 -0.540) 2.448 3.146 ( -2.726 -0.515 -0.479) 2.815 3.195 ( -1.674 -0.174 0.532) 1.765 3.413 ( -1.975 0.421 -1.270) 2.386 3.419 ( 4.958 -0.067 1.720) 5.248 4.292 ( 15.319 6.096 -2.614) 16.693 4.639 ( 15.183 3.031 2.984) 15.768 5.386 ( -14.772 2.586 -1.404) 15.063 5.607 ( -2.744 -1.382 0.664) 3.143 9.843 ( 11.654 3.940 -0.171) 12.304 10.382 ( -12.561 -4.194 0.938) 13.276 10.734 ( 8.085 4.193 0.734) 9.137 11.119 ( -9.678 -6.063 -1.374) 11.502 17.527 ( -0.688 -0.392 0.003) 0.791 18.882 ( -0.600 -0.979 -0.082) 1.151 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 4.970 -0.000 -0.000) 4.970 1.879 ( -4.698 0.000 0.000) 4.698 2.870 ( -1.711 0.000 0.000) 1.711 2.955 ( 5.829 -0.000 -0.000) 5.829 3.093 ( -3.252 0.000 0.000) 3.252 3.167 ( -1.093 0.000 0.000) 1.093 3.376 ( -2.233 0.000 0.000) 2.233 3.481 ( 2.429 -0.000 -0.000) 2.429 4.498 ( 4.940 -0.000 -0.000) 4.940 4.815 ( -3.346 0.000 0.000) 3.346 5.207 ( -1.776 0.000 0.000) 1.776 5.573 ( 0.662 -0.000 -0.000) 0.662 10.084 ( 13.035 -0.000 -0.000) 13.035 10.119 ( -14.243 0.000 0.000) 14.243 10.898 ( -10.772 0.000 0.000) 10.772 10.943 ( 11.750 -0.000 -0.000) 11.750 17.519 ( -0.123 0.000 0.000) 0.123 18.874 ( 0.258 -0.000 -0.000) 0.258 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 -14.961 -11.931) 19.136 1.829 ( 0.000 1.765 -2.312) 2.908 2.350 ( -0.000 7.523 7.066) 10.321 2.430 ( -0.000 17.589 7.498) 19.121 2.735 ( 0.000 2.387 -5.549) 6.040 3.018 ( -0.000 -1.198 8.160) 8.247 3.312 ( -0.000 -1.826 -0.658) 1.941 3.472 ( 0.000 -4.659 -2.333) 5.211 3.768 ( -0.000 -4.626 0.513) 4.654 4.075 ( -0.000 0.705 0.908) 1.149 5.670 ( 0.000 12.584 0.226) 12.586 5.813 ( 0.000 14.958 -1.642) 15.047 9.327 ( -0.000 -2.227 0.310) 2.248 10.316 ( -0.000 -2.242 -0.252) 2.256 10.965 ( -0.000 3.568 4.382) 5.651 11.678 ( 0.000 -4.611 -4.471) 6.423 17.605 ( -0.000 -2.818 -0.633) 2.888 18.988 ( -0.000 -4.384 0.606) 4.426 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -0.612 -11.348 -7.778) 13.772 1.984 ( 15.611 0.934 -1.999) 15.766 2.352 ( -6.623 7.123 4.662) 10.786 2.693 ( 7.071 11.897 2.107) 13.999 2.842 ( 11.994 1.782 -2.490) 12.379 3.032 ( 2.717 -3.281 9.008) 9.964 3.287 ( -0.032 -2.807 -1.432) 3.152 3.422 ( -0.707 -2.145 -2.446) 3.329 3.732 ( 0.494 -2.606 -0.606) 2.721 4.107 ( 3.041 0.360 0.978) 3.214 5.756 ( -2.184 8.487 -0.196) 8.766 5.890 ( -5.202 10.443 -0.795) 11.694 9.352 ( 5.021 -1.360 0.226) 5.206 10.328 ( 3.674 -1.363 -0.192) 3.923 10.957 ( -5.249 1.915 3.100) 6.390 11.592 ( -4.479 -3.532 -3.027) 6.458 17.578 ( -0.526 -1.680 -0.317) 1.789 18.948 ( -0.688 -2.904 0.219) 2.992 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 1.010 -5.954 -3.383) 6.922 2.238 ( 0.735 3.079 1.345) 3.439 2.345 ( 10.367 1.140 -0.224) 10.432 2.829 ( 2.089 2.358 -0.725) 3.233 3.092 ( 11.565 1.943 -1.289) 11.797 3.122 ( 7.573 -0.060 7.447) 10.621 3.256 ( 0.265 -2.950 -1.763) 3.447 3.415 ( 1.531 0.383 -1.286) 2.036 3.770 ( 7.641 0.138 -1.181) 7.733 4.198 ( 7.773 0.263 0.979) 7.838 5.757 ( -4.593 3.827 -0.717) 6.021 5.836 ( -10.081 4.965 0.223) 11.239 9.465 ( 9.330 -0.335 0.088) 9.337 10.408 ( 6.744 -0.322 -0.089) 6.752 10.845 ( -9.959 0.401 1.534) 10.084 11.451 ( -8.341 -2.182 -1.437) 8.740 17.555 ( -0.782 -0.700 -0.100) 1.054 18.913 ( -1.013 -1.355 0.026) 1.692 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 3.041 -0.000 -0.000) 3.041 2.134 ( -9.194 0.000 0.000) 9.194 2.616 ( 15.273 -0.000 -0.000) 15.273 2.859 ( 1.212 -0.000 -0.000) 1.212 3.170 ( 0.188 -0.000 -0.000) 0.188 3.221 ( -1.346 0.000 0.000) 1.346 3.303 ( 9.050 -0.000 -0.000) 9.050 3.436 ( -0.201 0.000 0.000) 0.201 4.009 ( 19.010 -0.000 -0.000) 19.010 4.387 ( 14.537 -0.000 -0.000) 14.537 5.654 ( -14.285 0.000 0.000) 14.285 5.684 ( -5.690 0.000 0.000) 5.690 9.647 ( 12.284 -0.000 -0.000) 12.284 10.514 ( 2.246 -0.000 -0.000) 2.246 10.678 ( -6.508 0.000 0.000) 6.508 11.276 ( -10.915 0.000 0.000) 10.915 17.538 ( -0.829 0.000 0.000) 0.829 18.890 ( -0.969 0.000 0.000) 0.969 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.000 -6.664 -5.034) 8.352 1.844 ( 0.000 0.567 -0.789) 0.972 2.477 ( -0.000 2.699 3.781) 4.645 2.740 ( 0.000 0.697 -3.341) 3.413 2.760 ( 0.000 14.660 -0.847) 14.684 2.971 ( -0.000 -8.396 9.119) 12.396 3.255 ( 0.000 -2.404 -2.193) 3.254 3.408 ( 0.000 -0.987 -1.386) 1.701 3.705 ( -0.000 -1.658 -0.283) 1.682 4.088 ( -0.000 0.281 0.395) 0.485 5.839 ( 0.000 4.590 -0.086) 4.591 6.009 ( 0.000 5.467 -0.440) 5.484 9.299 ( -0.000 -0.771 0.145) 0.785 10.285 ( -0.000 -0.812 -0.116) 0.820 11.023 ( -0.000 1.078 1.686) 2.001 11.599 ( 0.000 -1.797 -1.628) 2.425 17.569 ( -0.000 -0.840 -0.143) 0.852 18.933 ( -0.000 -1.515 0.077) 1.517 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.076 -0.000 -0.000) 0.076 1.988 ( 15.701 -0.000 -0.000) 15.701 2.434 ( -6.390 0.000 0.000) 6.390 2.802 ( 4.127 -0.000 -0.000) 4.127 2.918 ( 8.432 -0.000 -0.000) 8.432 2.977 ( 7.642 -0.000 -0.000) 7.642 3.239 ( -0.081 0.000 0.000) 0.081 3.401 ( 0.091 -0.000 -0.000) 0.091 3.704 ( 1.178 -0.000 -0.000) 1.178 4.114 ( 3.017 -0.000 -0.000) 3.017 5.838 ( -2.698 0.000 0.000) 2.698 5.990 ( -5.334 0.000 0.000) 5.334 9.339 ( 5.217 -0.000 -0.000) 5.217 10.314 ( 3.936 -0.000 -0.000) 3.936 10.983 ( -5.652 0.000 0.000) 5.652 11.550 ( -4.636 0.000 0.000) 4.636 17.562 ( -0.434 0.000 0.000) 0.434 18.920 ( -0.600 0.000 0.000) 0.600 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.123 ( -0.000 0.000 23.975) 23.975 0.144 ( -0.000 0.000 20.086) 20.086 0.144 ( -0.000 0.000 20.086) 20.086 1.674 ( 0.000 -0.000 -5.116) 5.116 1.674 ( 0.000 -0.000 -5.116) 5.116 2.366 ( -0.000 0.000 2.584) 2.584 2.366 ( -0.000 0.000 2.584) 2.584 3.881 ( 0.000 -0.000 -27.839) 27.839 4.033 ( 0.000 -0.000 -0.067) 0.067 4.033 ( 0.000 -0.000 -0.067) 0.067 4.391 ( -0.000 0.000 32.927) 32.927 6.423 ( 0.000 -0.000 -5.483) 5.483 9.679 ( 0.000 -0.000 -0.229) 0.229 9.679 ( 0.000 -0.000 -0.229) 0.229 10.589 ( -0.000 0.000 0.165) 0.165 10.589 ( -0.000 0.000 0.165) 0.165 18.536 ( 0.000 -0.000 -0.002) 0.002 20.768 ( 0.000 -0.000 -0.067) 0.067 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 12.757 7.365 9.486) 17.520 0.499 ( 19.204 11.088 6.005) 22.974 0.927 ( 37.439 21.615 7.902) 43.947 1.718 ( 4.137 2.388 -4.020) 6.243 1.877 ( 17.612 10.168 -9.152) 22.301 2.361 ( -0.199 -0.115 1.378) 1.397 2.621 ( 11.618 6.708 3.335) 13.824 3.712 ( -2.634 -1.521 -20.106) 20.335 4.038 ( 0.264 0.153 0.331) 0.450 4.243 ( 2.651 1.530 -8.582) 9.111 4.441 ( -0.971 -0.560 17.027) 17.064 5.305 ( -20.602 -11.895 40.818) 47.244 9.665 ( -1.391 -0.803 0.038) 1.607 9.793 ( 9.045 5.222 1.995) 10.634 10.575 ( -1.199 -0.692 -0.050) 1.386 12.021 ( 22.221 12.829 -58.181) 63.587 18.446 ( -6.580 -3.799 -2.567) 8.020 19.739 ( -21.388 -12.348 46.135) 52.329 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 14.040 8.106 7.790) 17.986 0.925 ( 17.987 10.385 2.381) 20.906 1.729 ( 32.582 18.811 6.331) 38.151 1.833 ( 6.589 3.804 -1.551) 7.765 2.249 ( 15.481 8.938 -12.911) 22.051 2.366 ( 0.591 0.341 -0.468) 0.827 2.985 ( 19.616 11.325 14.776) 27.044 3.619 ( -1.543 -0.891 -18.562) 18.648 4.046 ( 0.372 0.215 0.711) 0.831 4.189 ( -6.496 -3.751 8.716) 11.500 4.468 ( 2.423 1.399 0.083) 2.799 5.100 ( -7.408 -4.277 15.374) 17.594 9.620 ( -2.669 -1.541 0.270) 3.094 10.058 ( 13.292 7.674 3.742) 15.797 10.537 ( -2.117 -1.222 -0.236) 2.456 12.137 ( 2.247 1.297 -24.154) 24.293 18.256 ( -9.407 -5.431 -4.086) 11.605 19.515 ( -9.567 -5.523 19.685) 22.573 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 14.308 8.261 5.337) 17.363 1.297 ( 15.085 8.710 0.245) 17.421 1.988 ( 6.765 3.906 2.711) 8.268 2.365 ( 22.155 12.791 5.459) 26.158 2.393 ( 2.522 1.456 -3.515) 4.564 2.465 ( 7.682 4.435 -9.659) 13.114 3.464 ( 13.790 7.962 8.727) 18.158 3.587 ( 5.564 3.212 -3.381) 7.260 4.028 ( -9.445 -5.453 9.701) 14.596 4.057 ( 0.424 0.245 1.019) 1.130 4.579 ( 8.779 5.069 -6.206) 11.886 5.022 ( -0.939 -0.542 4.240) 4.377 9.551 ( -3.495 -2.018 0.431) 4.058 10.361 ( 12.434 7.179 4.797) 15.137 10.483 ( -2.696 -1.557 -0.363) 3.134 12.084 ( -2.438 -1.408 -13.611) 13.899 18.032 ( -9.538 -5.507 -3.759) 11.637 19.360 ( -7.734 -4.465 10.138) 13.510 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 13.551 7.823 1.673) 15.736 1.591 ( 11.509 6.645 -1.464) 13.369 2.122 ( 3.903 2.253 7.289) 8.570 2.474 ( 6.046 3.491 -6.650) 9.641 2.487 ( -0.838 -0.484 -6.439) 6.511 2.805 ( 13.920 8.037 7.046) 17.550 3.506 ( -0.335 -0.193 -7.608) 7.618 3.797 ( -6.094 -3.518 13.448) 15.178 3.899 ( 3.000 1.732 10.111) 10.688 4.069 ( 0.355 0.205 1.185) 1.254 4.824 ( 14.150 8.170 -7.727) 18.074 5.139 ( 12.122 6.999 -1.520) 14.080 9.471 ( -3.716 -2.146 0.501) 4.321 10.420 ( -2.831 -1.634 -0.415) 3.295 10.611 ( 8.875 5.124 4.729) 11.286 11.981 ( -4.240 -2.448 -8.385) 9.710 17.830 ( -7.760 -4.480 -2.788) 9.384 19.221 ( -6.443 -3.720 5.200) 9.077 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 11.786 6.804 -2.872) 13.909 1.800 ( 7.854 4.535 -2.803) 9.492 2.195 ( 1.250 0.721 8.208) 8.333 2.415 ( -4.192 -2.420 -0.596) 4.877 2.618 ( 7.737 4.467 -6.242) 10.899 3.046 ( 6.581 3.799 6.870) 10.244 3.474 ( -1.533 -0.885 -2.277) 2.884 3.626 ( -7.538 -4.352 1.012) 8.763 3.931 ( -3.402 -1.964 9.759) 10.520 4.077 ( 0.143 0.083 1.154) 1.166 5.144 ( 15.494 8.945 -5.476) 18.710 5.496 ( 18.032 10.411 -1.589) 20.882 9.394 ( -3.286 -1.897 0.474) 3.824 10.359 ( -2.476 -1.430 -0.389) 2.885 10.774 ( 5.002 2.888 3.881) 6.958 11.866 ( -4.463 -2.576 -5.127) 7.269 17.680 ( -5.303 -3.061 -1.697) 6.354 19.103 ( -4.868 -2.810 2.398) 6.111 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 8.791 5.075 -7.089) 12.381 1.929 ( 4.600 2.656 -3.612) 6.423 2.227 ( 0.111 0.064 7.058) 7.059 2.327 ( -3.836 -2.215 5.538) 7.091 2.764 ( 6.152 3.552 -4.162) 8.233 3.143 ( 1.433 0.828 5.056) 5.320 3.384 ( -6.837 -3.947 2.857) 8.395 3.540 ( 0.698 0.403 -6.587) 6.636 3.848 ( -4.645 -2.682 4.962) 7.306 4.080 ( -0.108 -0.062 0.905) 0.914 5.445 ( 11.729 6.772 -2.139) 13.711 5.854 ( 13.479 7.782 -0.852) 15.588 9.332 ( -2.276 -1.314 0.353) 2.652 10.311 ( -1.671 -0.964 -0.287) 1.950 10.858 ( 2.074 1.197 2.812) 3.694 11.768 ( -3.297 -1.903 -3.013) 4.855 17.586 ( -2.933 -1.693 -0.732) 3.465 19.019 ( -3.046 -1.759 0.779) 3.602 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 5.555 3.207 -7.134) 9.593 1.991 ( 1.932 1.115 -3.779) 4.388 2.234 ( -0.816 -0.471 5.425) 5.507 2.270 ( -3.270 -1.888 7.923) 8.777 2.857 ( 2.751 1.588 -2.120) 3.819 3.154 ( -1.138 -0.657 -0.400) 1.374 3.257 ( -3.288 -1.898 1.133) 3.962 3.563 ( 1.737 1.003 -4.571) 4.992 3.774 ( -2.528 -1.460 2.226) 3.671 4.078 ( -0.224 -0.130 0.453) 0.522 5.630 ( 4.705 2.716 1.012) 5.526 6.060 ( 4.914 2.837 -0.516) 5.698 9.297 ( -0.866 -0.500 0.156) 1.012 10.286 ( -0.547 -0.316 -0.123) 0.643 10.888 ( 0.262 0.151 1.873) 1.897 11.713 ( -0.985 -0.569 -1.693) 2.040 17.544 ( -0.841 -0.485 0.015) 0.971 18.973 ( -1.111 -0.642 -0.172) 1.295 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -0.438 -0.253 -3.077) 3.118 2.005 ( 2.292 1.323 2.297) 3.505 2.196 ( -3.776 -2.180 0.406) 4.379 2.214 ( -1.901 -1.098 3.160) 3.848 2.871 ( -1.217 -0.703 -0.187) 1.418 3.104 ( -1.463 -0.844 -6.502) 6.718 3.266 ( 2.594 1.498 1.524) 3.361 3.582 ( 0.723 0.418 -2.690) 2.817 3.752 ( 0.290 0.168 -0.038) 0.338 4.073 ( -0.199 -0.115 -0.128) 0.263 5.651 ( -3.321 -1.917 3.767) 5.376 6.061 ( -4.684 -2.704 -0.350) 5.420 9.296 ( 0.697 0.402 -0.086) 0.809 10.287 ( 0.684 0.395 0.073) 0.793 10.882 ( -1.102 -0.636 1.100) 1.682 11.720 ( 1.881 1.086 -0.782) 2.309 17.548 ( 1.143 0.660 0.544) 1.427 18.969 ( 0.803 0.464 -0.757) 1.197 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -11.166 -6.447 13.407) 18.601 1.954 ( -3.377 -1.950 -0.970) 4.019 2.166 ( -2.689 -1.553 -0.480) 3.142 2.224 ( 7.232 4.176 -9.481) 12.634 2.807 ( -4.552 -2.628 1.771) 5.546 3.060 ( -1.850 -1.068 -6.403) 6.750 3.349 ( 4.523 2.611 -2.086) 5.624 3.591 ( 0.737 0.425 -0.558) 1.017 3.781 ( 2.334 1.348 -2.698) 3.814 4.068 ( -0.203 -0.117 -0.685) 0.725 5.507 ( -10.420 -6.016 5.874) 13.390 5.860 ( -13.029 -7.522 -0.023) 15.045 9.327 ( 2.139 1.235 -0.328) 2.492 10.316 ( 1.782 1.029 0.267) 2.075 10.841 ( -2.976 -1.718 0.409) 3.460 11.791 ( 4.453 2.571 0.061) 5.142 17.598 ( 3.293 1.901 0.873) 3.902 19.004 ( 2.558 1.477 -1.142) 3.167 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -14.736 -8.508 10.025) 19.749 1.836 ( -7.578 -4.375 1.819) 8.938 2.098 ( -2.851 -1.646 -4.880) 5.887 2.395 ( 8.715 5.032 -3.752) 10.740 2.690 ( -6.273 -3.622 3.745) 8.154 2.958 ( -6.604 -3.813 -5.221) 9.242 3.444 ( 4.599 2.655 -5.788) 7.855 3.623 ( 2.198 1.269 -0.040) 2.538 3.819 ( 1.161 0.670 -4.381) 4.581 4.061 ( -0.285 -0.164 -1.059) 1.109 5.238 ( -14.512 -8.379 6.872) 18.112 5.514 ( -17.246 -9.957 0.878) 19.933 9.386 ( 3.206 1.851 -0.534) 3.741 10.365 ( 2.541 1.467 0.429) 2.966 10.745 ( -5.875 -3.392 -0.136) 6.786 11.910 ( 6.022 3.477 0.848) 7.005 17.700 ( 5.751 3.320 0.990) 6.714 19.075 ( 3.981 2.298 -1.373) 4.797 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -16.187 -9.345 7.547) 20.157 1.623 ( -12.115 -6.994 3.077) 14.323 2.014 ( -3.447 -1.990 -7.457) 8.453 2.554 ( 4.547 2.625 2.053) 5.637 2.562 ( -5.893 -3.402 5.284) 8.615 2.729 ( -13.080 -7.552 -3.305) 15.461 3.486 ( -1.197 -0.691 -14.382) 14.448 3.669 ( 1.171 0.676 2.366) 2.725 3.808 ( 0.275 0.159 -3.003) 3.020 4.051 ( -0.327 -0.189 -1.176) 1.235 4.928 ( -14.256 -8.230 5.987) 17.516 5.167 ( -12.581 -7.263 2.343) 14.715 9.462 ( 3.710 2.142 -0.672) 4.336 10.427 ( 2.838 1.638 0.535) 3.320 10.574 ( -9.506 -5.488 -0.329) 10.982 12.052 ( 6.349 3.666 1.192) 7.428 17.858 ( 8.267 4.773 0.817) 9.581 19.171 ( 4.855 2.803 -1.275) 5.749 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -16.664 -9.621 5.169) 19.924 1.317 ( -16.126 -9.311 3.053) 18.870 1.908 ( -4.387 -2.533 -7.589) 9.124 2.306 ( -22.871 -13.205 -2.197) 26.500 2.464 ( -4.048 -2.337 5.532) 7.242 2.612 ( -3.049 -1.760 9.448) 10.082 3.206 ( -18.836 -10.875 -19.101) 28.947 3.718 ( 3.164 1.827 -1.261) 3.865 3.883 ( 5.967 3.445 1.867) 7.138 4.042 ( -0.265 -0.153 -1.063) 1.106 4.669 ( -9.358 -5.403 3.803) 11.456 5.007 ( -2.991 -1.727 2.798) 4.445 9.543 ( 3.569 2.060 -0.717) 4.182 10.326 ( -12.633 -7.294 -0.069) 14.588 10.490 ( 2.639 1.524 0.564) 3.099 12.188 ( 5.587 3.225 0.189) 6.454 18.064 ( 9.995 5.770 0.173) 11.542 19.279 ( 4.967 2.868 -0.064) 5.736 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -16.028 -9.254 2.543) 18.681 0.930 ( -19.215 -11.094 3.089) 22.401 1.684 ( -32.581 -18.811 0.036) 37.622 1.794 ( -4.171 -2.408 -6.522) 8.107 2.407 ( -2.286 -1.320 4.666) 5.361 2.434 ( -18.542 -10.705 12.366) 24.725 2.736 ( -13.577 -7.839 -18.220) 24.037 3.777 ( 3.221 1.859 -11.919) 12.486 4.035 ( -0.134 -0.077 -0.798) 0.812 4.050 ( 7.008 4.046 11.840) 14.341 4.535 ( -3.720 -2.148 -0.798) 4.369 5.007 ( 1.324 0.765 6.694) 6.866 9.613 ( 2.820 1.628 -0.650) 3.321 10.034 ( -13.097 -7.562 0.441) 15.130 10.543 ( 1.998 1.154 0.506) 2.362 12.290 ( 3.737 2.158 -5.367) 6.887 18.285 ( 9.572 5.526 -1.187) 11.116 19.388 ( 4.432 2.559 5.265) 7.342 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( -0.000 14.939 16.252) 22.075 0.547 ( -0.000 22.094 9.797) 24.169 0.936 ( 0.000 42.081 8.821) 42.996 1.651 ( 0.000 2.128 -9.188) 9.431 1.914 ( 0.000 24.830 -6.990) 25.795 2.410 ( -0.000 1.821 4.700) 5.041 2.524 ( 0.000 6.477 -0.974) 6.550 3.658 ( 0.000 -3.624 -20.390) 20.709 4.029 ( 0.000 -0.123 -0.395) 0.413 4.233 ( 0.000 6.785 -11.406) 13.272 4.497 ( -0.000 -3.506 24.043) 24.297 5.410 ( -0.000 -27.483 38.846) 47.585 9.657 ( -0.000 -1.929 -0.585) 2.016 9.794 ( 0.000 10.390 2.106) 10.601 10.581 ( -0.000 -1.131 0.435) 1.212 11.885 ( 0.000 33.514 -59.107) 67.947 18.441 ( -0.000 -8.018 -2.140) 8.298 19.850 ( -0.000 -29.793 45.570) 54.445 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 6.742 14.711 15.678) 22.531 0.879 ( 9.708 21.701 5.983) 24.515 1.524 ( 19.911 32.253 7.273) 38.596 1.761 ( 9.440 4.920 -8.344) 13.526 2.189 ( 3.978 23.907 -9.357) 25.980 2.404 ( -2.079 3.727 0.602) 4.310 2.761 ( 17.839 5.537 9.336) 20.881 3.575 ( -0.553 -2.138 -19.238) 19.365 4.040 ( 1.142 0.201 -0.106) 1.164 4.236 ( -2.260 -0.995 -1.387) 2.832 4.493 ( -1.769 -0.830 12.060) 12.217 5.212 ( -7.474 -10.375 21.181) 24.741 9.633 ( -0.621 -2.352 -0.336) 2.456 9.981 ( 7.476 12.302 3.842) 14.900 10.557 ( -1.342 -1.336 0.202) 1.904 12.042 ( 4.395 8.316 -32.749) 34.073 18.302 ( -5.264 -9.012 -3.796) 11.106 19.638 ( -7.899 -13.390 25.984) 30.280 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 8.677 13.355 12.824) 20.447 1.258 ( 9.181 21.117 2.849) 23.202 1.972 ( 8.617 10.478 -4.666) 14.346 2.159 ( 21.678 20.755 7.036) 30.825 2.359 ( 0.345 5.540 0.945) 5.630 2.448 ( 0.891 10.239 -12.113) 15.885 3.222 ( 24.407 6.072 13.819) 28.697 3.520 ( 0.802 -0.711 -14.560) 14.599 4.068 ( 0.914 1.334 0.490) 1.690 4.129 ( -6.610 -5.610 6.973) 11.126 4.525 ( 2.423 5.158 -0.740) 5.747 5.073 ( -5.041 -3.889 9.396) 11.351 9.588 ( -2.302 -1.752 -0.011) 2.892 10.257 ( 10.325 10.103 5.432) 15.433 10.516 ( -2.235 -0.950 -0.022) 2.428 12.049 ( 0.163 -0.275 -18.796) 18.798 18.099 ( -7.366 -8.380 -4.142) 11.901 19.456 ( -7.331 -8.471 14.076) 17.990 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 9.281 11.169 8.425) 16.789 1.588 ( 5.955 20.160 0.388) 21.025 2.191 ( 2.586 13.814 2.652) 14.302 2.405 ( 3.252 2.274 -1.879) 4.390 2.486 ( -0.656 4.588 -11.567) 12.461 2.663 ( 16.040 11.795 7.432) 21.252 3.481 ( 1.056 0.695 -9.115) 9.202 3.674 ( 17.759 -3.197 13.131) 22.317 3.938 ( -8.207 -7.182 5.059) 12.022 4.130 ( -0.129 5.528 4.884) 7.377 4.683 ( 9.311 8.790 -5.927) 14.110 5.055 ( 3.765 3.282 0.864) 5.068 9.526 ( -3.673 -0.619 0.203) 3.730 10.454 ( -1.491 -0.274 0.357) 1.558 10.527 ( 7.784 5.972 5.293) 11.148 11.975 ( -2.002 -3.777 -11.612) 12.374 17.894 ( -7.060 -6.663 -3.364) 10.274 19.296 ( -6.432 -6.421 7.377) 11.706 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 9.050 8.152 3.208) 12.596 1.841 ( 2.136 18.914 -1.816) 19.120 2.285 ( -3.279 5.593 6.873) 9.449 2.441 ( -2.655 0.702 -3.229) 4.238 2.559 ( 6.453 10.614 -8.107) 14.833 2.977 ( 9.382 6.075 7.483) 13.450 3.469 ( -0.176 -0.292 -5.706) 5.716 3.713 ( -7.567 -7.566 4.774) 11.717 3.870 ( 5.984 -6.665 6.267) 10.932 4.164 ( -3.976 4.731 5.851) 8.510 4.956 ( 14.552 8.791 -5.813) 17.968 5.295 ( 16.004 9.460 -1.660) 18.665 9.459 ( -4.480 0.797 0.310) 4.561 10.405 ( -3.321 0.455 -0.268) 3.363 10.706 ( 6.621 1.899 5.141) 8.595 11.867 ( -2.540 -5.534 -7.257) 9.473 17.729 ( -5.434 -4.589 -2.188) 7.442 19.158 ( -5.128 -4.869 3.492) 7.886 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 8.035 4.613 -1.899) 9.458 2.009 ( -1.758 16.245 -3.441) 16.698 2.262 ( -1.235 -2.825 3.423) 4.606 2.413 ( -4.591 6.395 4.395) 9.016 2.749 ( 3.936 12.260 -4.883) 13.771 3.132 ( 3.077 1.883 6.089) 7.077 3.446 ( -2.337 -1.972 1.037) 3.229 3.535 ( -4.529 -3.819 -4.362) 7.357 3.871 ( -0.066 -4.904 4.054) 6.363 4.138 ( -4.382 3.728 2.683) 6.349 5.275 ( 14.984 6.228 -2.535) 16.424 5.665 ( 16.946 7.446 -1.105) 18.543 9.398 ( -4.588 2.254 0.314) 5.122 10.358 ( -3.351 1.603 -0.270) 3.725 10.808 ( 4.354 -1.574 3.999) 6.118 11.760 ( -1.688 -6.095 -4.464) 7.741 17.616 ( -3.440 -2.722 -1.056) 4.512 19.051 ( -3.488 -3.439 1.258) 5.057 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 6.765 1.570 -5.515) 8.868 2.065 ( -3.517 5.889 -0.173) 6.861 2.248 ( -0.655 2.459 -0.004) 2.545 2.422 ( -5.608 9.271 8.016) 13.478 2.884 ( 0.266 9.989 -2.519) 10.305 3.165 ( -0.587 -0.472 2.279) 2.401 3.316 ( -6.153 -3.478 0.721) 7.105 3.523 ( 2.425 0.600 -5.286) 5.847 3.822 ( -2.906 -0.351 1.601) 3.337 4.114 ( -2.850 2.722 1.174) 4.112 5.528 ( 10.271 1.971 0.760) 10.486 5.949 ( 10.917 2.282 -0.755) 11.178 9.355 ( -3.974 3.550 0.216) 5.333 10.326 ( -2.816 2.639 -0.184) 3.864 10.849 ( 2.895 -3.727 2.925) 5.552 11.682 ( 0.372 -5.551 -2.751) 6.206 17.555 ( -1.519 -1.253 -0.170) 1.977 18.983 ( -1.652 -2.093 -0.001) 2.667 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 6.687 0.448 -6.958) 9.661 2.033 ( -2.521 -2.924 5.805) 6.972 2.259 ( -3.934 7.880 -4.802) 10.032 2.420 ( -9.019 9.856 9.581) 16.440 2.933 ( -2.864 6.064 -1.430) 6.857 3.118 ( -2.803 -0.603 -4.762) 5.558 3.258 ( 0.073 0.854 1.504) 1.731 3.551 ( 1.768 -0.196 -3.860) 4.250 3.787 ( -2.835 2.658 0.129) 3.889 4.099 ( -1.914 2.127 0.338) 2.882 5.641 ( 2.910 -2.628 3.566) 5.300 6.051 ( 2.110 -3.474 -0.724) 4.129 9.337 ( -2.784 4.556 0.038) 5.339 10.316 ( -1.853 3.429 -0.035) 3.898 10.853 ( 1.927 -4.747 2.093) 5.535 11.659 ( 3.211 -4.122 -1.724) 5.502 17.539 ( 0.328 -0.112 0.416) 0.542 18.957 ( 0.246 -0.858 -0.679) 1.122 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -3.881 -6.858 4.956) 9.309 2.006 ( 6.019 0.167 -1.346) 6.170 2.250 ( -5.349 10.758 -8.268) 14.585 2.344 ( -12.727 8.297 8.411) 17.366 2.912 ( -5.404 4.590 -0.522) 7.109 3.069 ( -2.178 0.765 -5.743) 6.189 3.303 ( 3.011 1.822 -0.359) 3.537 3.561 ( 1.514 -1.156 -3.071) 3.614 3.779 ( -1.109 2.553 -0.730) 2.877 4.092 ( -1.487 2.311 -0.519) 2.797 5.590 ( -4.962 -6.545 5.670) 9.980 5.950 ( -6.925 -8.484 -0.738) 10.976 9.350 ( -1.309 5.149 -0.164) 5.315 10.330 ( -0.695 3.820 0.130) 3.885 10.831 ( 0.526 -5.157 1.433) 5.378 11.703 ( 6.062 -2.272 -0.996) 6.550 17.566 ( 2.330 0.861 0.711) 2.584 18.971 ( 2.079 0.214 -0.987) 2.311 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -8.890 -9.913 8.695) 15.903 2.053 ( -7.326 7.370 -0.846) 10.426 2.219 ( -9.396 5.015 2.413) 10.921 2.306 ( 3.463 8.634 -7.096) 11.700 2.833 ( -9.493 4.395 2.350) 10.721 3.007 ( -4.179 -1.460 -4.906) 6.608 3.378 ( 4.189 1.726 -3.775) 5.897 3.577 ( 2.865 -1.404 -2.143) 3.844 3.788 ( 0.632 -0.083 -1.097) 1.269 4.091 ( -1.506 3.008 -1.302) 3.608 5.390 ( -11.365 -8.776 6.714) 15.851 5.675 ( -13.720 -11.214 -0.448) 17.725 9.390 ( 0.155 5.161 -0.344) 5.175 10.365 ( 0.438 3.672 0.276) 3.708 10.772 ( -2.099 -5.397 0.925) 5.865 11.807 ( 8.057 -0.571 -0.454) 8.090 17.638 ( 4.715 1.776 0.715) 5.089 19.023 ( 3.706 1.045 -0.980) 3.973 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -13.403 -9.209 7.876) 18.069 1.899 ( -18.173 6.762 3.107) 19.637 2.139 ( -7.663 7.361 -5.377) 11.909 2.467 ( 7.594 3.281 -2.272) 8.579 2.711 ( -10.036 4.423 5.032) 12.067 2.855 ( -9.886 -4.567 -3.294) 11.377 3.432 ( 2.236 -0.880 -9.949) 10.235 3.617 ( 3.956 -2.156 0.230) 4.511 3.784 ( 0.694 -1.949 0.050) 2.070 4.090 ( -2.034 3.377 -1.675) 4.283 5.100 ( -14.378 -8.856 5.987) 17.917 5.323 ( -14.691 -9.536 0.642) 17.526 9.449 ( 1.407 4.511 -0.476) 4.750 10.413 ( 1.369 2.934 0.391) 3.261 10.655 ( -6.044 -5.485 0.714) 8.193 11.948 ( 8.683 0.556 -0.430) 8.712 17.762 ( 7.468 2.563 0.379) 7.905 19.107 ( 4.962 1.538 -0.500) 5.219 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -16.464 -7.476 5.847) 19.004 1.620 ( -21.578 2.774 3.321) 22.008 2.058 ( -10.024 8.914 -7.641) 15.438 2.491 ( -4.387 -4.823 2.934) 7.150 2.563 ( -17.015 -6.666 -0.201) 18.276 2.699 ( -1.663 7.983 5.188) 9.665 3.299 ( -10.134 -10.468 -13.663) 19.974 3.660 ( 3.508 -0.859 -3.701) 5.172 3.824 ( 4.820 0.950 6.033) 7.780 4.076 ( -2.563 2.538 -1.303) 3.835 4.802 ( -12.633 -6.810 3.202) 14.705 5.071 ( -7.322 -3.900 2.322) 8.615 9.517 ( 2.286 3.318 -0.523) 4.063 10.447 ( -4.677 -2.885 0.882) 5.566 10.486 ( -3.943 -0.383 0.494) 3.993 12.093 ( 7.932 0.938 -1.730) 8.172 17.935 ( 10.083 2.885 -0.418) 10.495 19.212 ( 5.705 1.591 1.080) 6.020 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -17.974 -5.121 3.535) 19.020 1.258 ( -23.885 -0.487 2.863) 24.061 1.939 ( -11.153 6.940 -6.805) 14.794 2.091 ( -29.079 -6.736 0.696) 29.857 2.404 ( -3.016 -5.895 5.387) 8.537 2.731 ( -6.216 7.900 7.029) 12.266 2.864 ( -22.767 -12.457 -11.808) 28.512 3.698 ( 3.517 0.639 -14.334) 14.773 3.978 ( 8.478 1.333 14.901) 17.196 4.054 ( -1.796 1.250 -0.661) 2.286 4.593 ( -7.041 -3.186 -1.092) 7.805 5.005 ( 0.161 -0.810 5.503) 5.565 9.583 ( 2.640 1.842 -0.440) 3.249 10.213 ( -13.942 -3.755 1.548) 14.521 10.520 ( 2.019 0.929 0.311) 2.244 12.209 ( 5.794 0.559 -6.317) 8.590 18.139 ( 11.429 2.168 -1.808) 11.773 19.331 ( 6.076 1.145 5.564) 8.318 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.000 18.277 19.211) 26.516 1.011 ( 0.000 21.467 7.998) 22.908 1.669 ( 0.000 4.460 -10.428) 11.341 1.730 ( 0.000 35.689 6.563) 36.287 2.420 ( 0.000 27.347 -16.315) 31.844 2.476 ( -0.000 2.729 4.339) 5.125 2.671 ( -0.000 9.423 11.378) 14.773 3.516 ( 0.000 -1.245 -17.990) 18.033 4.026 ( 0.000 0.062 -0.342) 0.348 4.240 ( -0.000 -3.481 1.711) 3.879 4.532 ( -0.000 1.080 8.558) 8.626 5.216 ( -0.000 -10.443 17.920) 20.741 9.603 ( -0.000 -3.284 -0.592) 3.337 10.071 ( 0.000 15.698 4.577) 16.351 10.550 ( -0.000 -2.284 0.434) 2.325 12.019 ( 0.000 7.511 -28.384) 29.361 18.238 ( -0.000 -10.919 -3.927) 11.604 19.618 ( -0.000 -15.033 22.071) 26.705 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 2.391 17.720 18.199) 25.513 1.325 ( 9.413 21.034 6.418) 23.921 1.820 ( 13.374 5.868 -9.380) 17.358 2.139 ( 9.519 26.566 6.026) 28.856 2.480 ( -3.148 4.172 3.604) 6.349 2.557 ( -1.647 14.650 -16.105) 21.834 2.973 ( 14.611 12.357 12.873) 23.063 3.477 ( 0.249 1.024 -14.466) 14.504 4.046 ( 1.999 0.363 -0.307) 2.055 4.168 ( -3.230 -7.127 6.418) 10.120 4.576 ( -0.410 7.557 1.357) 7.689 5.132 ( -3.948 -5.598 10.703) 12.707 9.576 ( 0.564 -3.243 -0.402) 3.316 10.268 ( 3.959 14.232 5.983) 15.938 10.524 ( -0.448 -2.168 0.256) 2.229 12.008 ( -0.263 1.396 -20.026) 20.076 18.091 ( -3.698 -10.395 -4.082) 11.764 19.491 ( -4.151 -11.892 14.581) 19.268 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 3.330 15.207 14.380) 21.192 1.698 ( 8.078 21.883 3.684) 23.615 2.114 ( 15.273 6.604 -6.822) 17.984 2.451 ( -1.335 1.539 -2.925) 3.564 2.550 ( 7.615 15.930 5.482) 18.488 2.620 ( -0.344 13.627 -5.636) 14.750 3.344 ( 17.117 1.092 8.920) 19.333 3.474 ( 0.880 1.993 -8.720) 8.988 3.991 ( -5.644 -7.944 3.004) 10.197 4.151 ( 3.621 2.299 5.930) 7.319 4.684 ( 1.918 12.664 -2.484) 13.047 5.067 ( -1.580 0.955 2.946) 3.477 9.554 ( -0.375 -1.695 -0.187) 1.746 10.458 ( 2.346 5.000 4.014) 6.828 10.514 ( 1.725 3.100 2.715) 4.467 11.940 ( -1.890 -3.208 -13.485) 13.990 17.915 ( -5.029 -8.395 -3.526) 10.402 19.338 ( -5.115 -9.134 8.399) 13.421 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 3.542 11.895 9.287) 15.501 2.009 ( 3.353 21.697 0.634) 21.964 2.304 ( 1.561 -3.733 -3.876) 5.603 2.455 ( 5.269 3.609 -3.686) 7.374 2.678 ( -3.388 20.341 -3.504) 20.917 2.897 ( 10.257 8.726 7.957) 15.641 3.460 ( -0.388 0.922 -6.099) 6.181 3.597 ( 12.546 -8.297 6.199) 16.268 3.818 ( -5.990 -6.474 1.959) 9.035 4.250 ( 1.437 2.727 7.896) 8.476 4.860 ( 5.837 12.163 -4.676) 14.278 5.169 ( 8.694 8.589 -1.189) 12.279 9.530 ( -2.027 0.911 -0.017) 2.222 10.458 ( -1.787 0.650 0.048) 1.902 10.644 ( 4.385 3.034 6.060) 8.071 11.828 ( -2.533 -6.396 -8.886) 11.238 17.757 ( -4.621 -5.908 -2.460) 7.894 19.193 ( -4.692 -6.928 4.240) 9.380 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 3.186 8.135 3.902) 9.568 2.203 ( -2.910 -7.042 -2.037) 7.887 2.231 ( 0.477 17.987 -2.631) 18.184 2.561 ( -0.001 7.161 2.758) 7.674 2.853 ( 0.196 20.239 -3.700) 20.575 3.105 ( 5.201 3.587 7.180) 9.564 3.443 ( -0.053 -0.087 -3.238) 3.239 3.569 ( -4.831 -8.522 0.760) 9.825 3.786 ( 5.365 -2.575 1.243) 6.079 4.271 ( -4.066 4.075 5.452) 7.929 5.096 ( 11.709 7.760 -3.244) 14.417 5.462 ( 14.962 8.081 -1.030) 17.036 9.505 ( -3.686 3.814 0.100) 5.305 10.435 ( -2.775 2.667 -0.135) 3.851 10.725 ( 3.615 -2.446 4.993) 6.632 11.701 ( -1.728 -8.454 -5.707) 10.345 17.640 ( -3.376 -3.652 -1.313) 5.143 19.073 ( -3.562 -5.042 1.694) 6.401 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 2.731 4.371 -0.857) 5.224 2.089 ( -0.755 -9.203 1.714) 9.392 2.371 ( -2.746 16.746 -4.698) 17.608 2.625 ( -3.406 10.728 5.657) 12.598 3.005 ( -1.250 13.328 -1.836) 13.511 3.176 ( 0.118 0.210 4.096) 4.103 3.386 ( -6.344 -4.447 0.466) 7.762 3.475 ( 2.318 0.196 -4.522) 5.085 3.852 ( 1.565 3.718 -0.559) 4.073 4.240 ( -6.306 6.054 2.785) 9.175 5.349 ( 12.550 1.973 0.138) 12.705 5.758 ( 13.598 2.449 -0.761) 13.838 9.483 ( -4.866 6.354 0.133) 8.004 10.417 ( -3.451 4.551 -0.165) 5.714 10.749 ( 3.447 -6.351 3.790) 8.160 11.592 ( 0.503 -9.233 -3.644) 9.939 17.568 ( -1.899 -1.928 -0.373) 2.732 18.988 ( -2.044 -3.392 0.240) 3.967 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 3.482 1.754 -4.337) 5.832 2.009 ( 0.208 -8.837 5.476) 10.398 2.441 ( -5.091 14.418 -5.762) 16.340 2.680 ( -5.629 12.404 7.744) 15.669 3.045 ( -4.108 4.296 -1.352) 6.096 3.153 ( -1.993 -0.053 0.161) 2.000 3.291 ( -2.378 1.558 -1.809) 3.370 3.511 ( 1.982 0.064 -2.216) 2.974 3.900 ( -3.574 9.801 -2.471) 10.721 4.197 ( -5.984 5.592 1.546) 8.335 5.525 ( 8.313 -3.166 3.287) 9.483 5.930 ( 7.578 -3.836 -0.993) 8.552 9.468 ( -5.194 8.002 0.050) 9.540 10.408 ( -3.540 5.765 -0.095) 6.765 10.745 ( 3.760 -8.245 2.842) 9.497 11.533 ( 3.739 -8.544 -2.416) 9.635 17.537 ( -0.380 -0.725 0.246) 0.855 18.942 ( -0.333 -1.961 -0.516) 2.055 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 5.792 1.316 -8.328) 10.229 1.938 ( -0.972 -8.700 9.778) 13.124 2.460 ( -6.570 13.130 -5.812) 15.790 2.679 ( -11.711 10.989 9.660) 18.740 2.991 ( -1.878 1.254 -5.627) 6.063 3.147 ( -2.270 4.121 0.341) 4.717 3.294 ( 0.009 2.633 -1.300) 2.937 3.523 ( 0.669 -0.960 -2.216) 2.505 3.895 ( -7.549 9.436 -2.662) 12.374 4.167 ( -3.832 4.957 0.224) 6.269 5.569 ( 1.349 -6.781 5.635) 8.919 5.924 ( -0.494 -9.011 -1.486) 9.146 9.465 ( -4.561 8.415 -0.086) 9.572 10.410 ( -3.020 6.025 0.019) 6.740 10.733 ( 3.675 -8.412 2.141) 9.426 11.546 ( 7.144 -6.537 -1.671) 9.827 17.542 ( 1.279 0.104 0.534) 1.390 18.937 ( 1.426 -0.773 -0.808) 1.812 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -5.154 -7.563 6.345) 11.136 2.010 ( 8.865 1.592 -4.371) 10.011 2.457 ( -6.408 11.863 -5.482) 14.555 2.550 ( -16.443 8.379 7.197) 19.809 2.986 ( -1.309 2.746 -3.532) 4.662 3.125 ( -7.586 6.962 1.239) 10.370 3.329 ( 2.178 1.588 -2.069) 3.398 3.511 ( 1.019 -2.458 -3.015) 4.021 3.831 ( -6.044 3.041 -1.221) 6.875 4.162 ( -2.858 5.398 -1.152) 6.215 5.470 ( -6.023 -8.377 6.741) 12.325 5.745 ( -8.077 -11.430 -1.917) 14.126 9.477 ( -3.236 7.499 -0.184) 8.169 10.422 ( -2.057 5.202 0.108) 5.595 10.712 ( 2.200 -7.370 1.632) 7.862 11.634 ( 9.703 -3.912 -1.216) 10.532 17.585 ( 3.286 0.688 0.500) 3.394 18.970 ( 3.100 0.115 -0.729) 3.187 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -9.891 -6.628 6.509) 13.569 2.164 ( 5.242 4.821 -4.299) 8.319 2.343 ( -16.994 4.797 4.963) 18.343 2.460 ( -3.594 8.942 -4.685) 10.715 2.940 ( -5.897 0.116 -1.466) 6.077 3.026 ( -14.482 9.907 3.806) 17.955 3.364 ( 1.992 -1.482 -6.314) 6.784 3.516 ( 4.204 -3.461 -1.014) 5.539 3.771 ( -1.637 -1.238 0.382) 2.088 4.162 ( -2.652 4.604 -1.351) 5.483 5.253 ( -11.838 -8.180 5.745) 15.494 5.460 ( -12.494 -9.253 -1.574) 15.627 9.499 ( -1.577 5.444 -0.233) 5.673 10.441 ( -0.822 3.491 0.177) 3.591 10.665 ( -1.111 -5.490 1.419) 5.778 11.777 ( 10.713 -1.619 -1.267) 10.908 17.668 ( 5.747 1.023 0.126) 5.839 19.036 ( 4.558 0.619 -0.204) 4.604 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -13.977 -4.733 4.842) 15.531 2.034 ( -21.819 3.712 2.077) 22.230 2.269 ( -3.543 7.288 -4.401) 9.222 2.479 ( 0.180 -0.936 -0.246) 0.985 2.773 ( -12.705 -2.200 0.008) 12.894 2.890 ( -11.488 7.657 1.995) 13.949 3.313 ( -3.349 -3.918 -4.571) 6.889 3.572 ( 4.779 -1.560 -1.479) 5.240 3.771 ( 2.800 -0.634 3.216) 4.311 4.150 ( -3.058 2.842 -0.483) 4.202 4.971 ( -14.036 -6.003 2.310) 15.439 5.189 ( -11.151 -3.793 -0.225) 11.781 9.526 ( 0.175 2.769 -0.218) 2.783 10.460 ( 0.114 1.220 0.278) 1.257 10.573 ( -5.535 -2.776 1.598) 6.396 11.940 ( 10.063 -0.275 -2.388) 10.346 17.796 ( 8.444 0.898 -0.647) 8.517 19.129 ( 5.695 0.641 1.122) 5.840 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -16.773 -1.963 2.954) 17.144 1.663 ( -24.017 -1.364 1.234) 24.087 2.198 ( -12.018 5.789 -4.100) 13.956 2.415 ( -3.234 -4.269 3.439) 6.365 2.489 ( -20.831 0.874 2.281) 20.973 2.781 ( -4.307 -6.236 -10.566) 13.003 3.193 ( -13.173 9.397 9.501) 18.765 3.616 ( 3.059 -0.158 -9.831) 10.297 3.873 ( 7.802 -0.577 10.633) 13.201 4.111 ( -3.550 0.865 0.560) 3.696 4.717 ( -11.467 -1.810 -1.672) 11.729 5.035 ( -4.719 -0.822 1.324) 4.970 9.556 ( 1.726 0.225 -0.081) 1.743 10.405 ( -9.636 -0.120 2.259) 9.898 10.500 ( 0.296 -0.100 0.233) 0.390 12.082 ( 7.924 -0.018 -5.532) 9.664 17.957 ( 10.648 -0.074 -1.871) 10.812 19.241 ( 6.549 0.062 4.089) 7.721 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -0.000 19.624 19.397) 27.592 1.431 ( 0.000 17.903 7.391) 19.369 1.725 ( 0.000 6.500 -8.883) 11.007 2.325 ( 0.000 22.098 3.272) 22.339 2.550 ( -0.000 3.370 1.871) 3.854 2.583 ( 0.000 2.954 -12.897) 13.231 3.085 ( -0.000 19.860 9.859) 22.172 3.470 ( 0.000 4.555 -11.543) 12.409 4.030 ( 0.000 0.386 0.122) 0.404 4.128 ( -0.000 -9.281 6.612) 11.395 4.678 ( 0.000 12.595 0.047) 12.595 5.141 ( -0.000 -3.307 7.357) 8.066 9.530 ( -0.000 -3.989 -0.286) 3.999 10.400 ( -0.000 14.982 6.665) 16.398 10.499 ( -0.000 -3.146 0.195) 3.152 11.978 ( 0.000 0.168 -17.241) 17.241 18.009 ( -0.000 -10.522 -3.874) 11.212 19.438 ( -0.000 -12.260 11.631) 16.899 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -1.180 17.797 16.509) 24.304 1.720 ( 11.866 15.677 5.391) 20.387 1.905 ( 13.170 8.117 -5.796) 16.521 2.441 ( -0.194 -1.547 -9.983) 10.104 2.627 ( 3.040 13.604 4.974) 14.800 2.662 ( 5.583 5.885 -2.945) 8.630 3.260 ( 1.749 8.146 6.817) 10.765 3.499 ( -1.150 6.404 -6.451) 9.162 3.997 ( -3.487 -6.881 2.337) 8.060 4.101 ( 4.287 -1.111 5.159) 6.799 4.819 ( -0.328 17.421 -0.729) 17.439 5.123 ( -2.189 2.524 1.800) 3.795 9.509 ( 1.906 -3.501 -0.121) 3.988 10.471 ( 0.286 -2.270 0.303) 2.308 10.560 ( 0.959 11.212 6.815) 13.156 11.915 ( -1.992 -2.602 -13.153) 13.555 17.884 ( -2.339 -8.924 -3.341) 9.811 19.326 ( -2.566 -10.573 7.624) 13.285 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -1.124 14.598 12.325) 19.138 2.069 ( 10.518 9.907 -0.083) 14.449 2.195 ( 10.547 8.089 -1.562) 13.383 2.373 ( 2.636 -3.649 -9.793) 10.778 2.831 ( 5.564 11.748 1.228) 13.056 2.870 ( 7.782 10.880 4.268) 14.041 3.357 ( 6.182 -2.271 3.489) 7.453 3.496 ( -2.874 2.123 -3.264) 4.840 3.855 ( -5.377 -6.642 1.794) 8.732 4.205 ( 6.091 -0.216 6.355) 8.805 4.979 ( -1.870 18.315 -1.965) 18.515 5.166 ( 1.902 9.286 -1.656) 9.622 9.523 ( 2.465 -1.480 -0.060) 2.876 10.464 ( 0.876 -1.141 0.028) 1.439 10.667 ( -0.214 6.068 6.588) 8.960 11.801 ( -3.720 -5.477 -9.364) 11.469 17.756 ( -3.084 -6.531 -2.441) 7.624 19.197 ( -3.406 -8.355 4.224) 9.962 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -1.481 10.944 7.650) 13.434 2.099 ( 0.230 -10.930 -6.851) 12.902 2.401 ( 2.586 14.052 0.728) 14.307 2.534 ( 9.915 7.347 -1.987) 12.499 3.029 ( 3.601 11.901 1.178) 12.489 3.090 ( 3.172 10.377 5.420) 12.129 3.436 ( 3.351 -6.919 -0.232) 7.692 3.461 ( 3.316 -1.650 -1.508) 3.999 3.737 ( -1.941 -1.270 -0.217) 2.330 4.311 ( 4.454 0.599 6.350) 7.779 5.095 ( -0.930 14.052 -3.732) 14.569 5.353 ( 7.971 10.404 -0.755) 13.128 9.558 ( 1.406 1.911 -0.041) 2.373 10.477 ( 0.512 1.263 -0.068) 1.365 10.698 ( -1.103 -0.130 5.549) 5.659 11.650 ( -3.958 -8.111 -6.337) 11.028 17.650 ( -2.747 -4.197 -1.418) 5.212 19.079 ( -3.121 -6.207 1.882) 7.198 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -1.966 6.814 3.319) 7.830 1.978 ( 0.901 -11.912 -3.182) 12.362 2.545 ( -0.224 12.389 -1.221) 12.451 2.725 ( 3.597 8.860 1.700) 9.713 3.151 ( -2.441 8.947 -1.180) 9.349 3.180 ( 0.920 0.935 5.826) 5.972 3.416 ( 0.163 -4.198 -4.496) 6.153 3.438 ( -1.011 -1.075 1.520) 2.119 3.839 ( 7.052 9.300 -2.257) 11.888 4.392 ( -0.599 6.330 4.639) 7.871 5.216 ( 4.726 5.924 -1.833) 7.797 5.581 ( 10.116 4.447 -0.334) 11.056 9.602 ( -0.901 6.064 -0.026) 6.130 10.500 ( -0.821 3.808 -0.149) 3.898 10.666 ( -0.402 -5.496 4.344) 7.017 11.496 ( -2.129 -10.255 -4.168) 11.272 17.578 ( -1.896 -2.364 -0.540) 3.078 18.987 ( -2.171 -4.296 0.466) 4.836 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -1.401 3.131 0.022) 3.430 1.898 ( 2.503 -10.234 0.527) 10.549 2.630 ( -2.819 11.527 -2.309) 12.089 2.844 ( 0.298 8.615 3.489) 9.300 3.130 ( -3.733 0.018 -0.501) 3.766 3.183 ( -1.735 -0.741 2.612) 3.223 3.341 ( -2.846 1.228 -3.841) 4.935 3.476 ( 2.434 0.386 0.419) 2.500 4.039 ( 2.107 15.771 -4.133) 16.440 4.417 ( -8.075 11.210 2.874) 14.111 5.348 ( 8.687 -2.591 1.935) 9.269 5.749 ( 8.767 -2.982 -0.769) 9.292 9.639 ( -3.930 9.770 -0.075) 10.531 10.512 ( -1.606 2.531 0.008) 2.998 10.621 ( 0.995 -5.731 3.190) 6.634 11.378 ( 1.874 -11.253 -2.804) 11.747 17.539 ( -0.841 -1.117 0.054) 1.399 18.928 ( -0.842 -2.662 -0.281) 2.807 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 1.131 1.775 -7.172) 7.475 1.860 ( 2.616 -8.719 7.806) 11.992 2.663 ( -5.057 10.231 -2.637) 11.713 2.925 ( -1.965 8.373 5.831) 10.391 3.031 ( -5.758 -1.240 -3.333) 6.768 3.172 ( 0.489 0.152 2.025) 2.088 3.323 ( -0.889 1.931 -3.266) 3.897 3.507 ( 0.916 0.056 -0.187) 0.936 4.163 ( -6.085 17.630 -5.860) 19.549 4.353 ( -11.522 9.553 2.458) 15.168 5.445 ( 6.894 -6.825 5.138) 10.978 5.799 ( 4.165 -8.653 -1.736) 9.758 9.653 ( -6.393 10.928 -0.179) 12.662 10.505 ( 0.789 -1.793 0.420) 2.003 10.603 ( -0.113 -1.697 2.096) 2.699 11.343 ( 6.948 -9.770 -1.980) 12.151 17.528 ( 0.378 -0.350 0.335) 0.614 18.907 ( 0.677 -1.338 -0.568) 1.603 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 0.280 -4.982 -0.950) 5.079 1.888 ( 5.277 -0.078 1.606) 5.516 2.648 ( -6.267 7.647 -2.177) 10.123 2.874 ( -11.734 4.310 3.861) 13.083 3.005 ( 0.524 3.453 -1.528) 3.812 3.204 ( 1.862 1.124 1.273) 2.521 3.329 ( 0.618 1.510 -1.988) 2.572 3.504 ( -1.192 -0.126 -1.212) 1.705 4.090 ( -17.014 10.471 -3.721) 20.322 4.295 ( -5.762 7.851 0.358) 9.745 5.456 ( 0.650 -7.279 6.149) 9.551 5.718 ( -2.018 -10.013 -2.583) 10.536 9.636 ( -6.637 8.488 -0.190) 10.777 10.511 ( -0.059 0.923 0.170) 0.941 10.590 ( 1.472 -3.811 1.777) 4.455 11.413 ( 10.682 -5.819 -1.467) 12.252 17.546 ( 1.880 0.066 0.315) 1.908 18.922 ( 2.236 -0.372 -0.506) 2.323 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -5.045 -4.242 4.097) 7.761 2.024 ( 9.932 1.664 -3.069) 10.528 2.587 ( -7.607 3.178 -0.945) 8.299 2.707 ( -13.755 4.481 1.112) 14.509 3.013 ( -2.900 1.452 0.733) 3.325 3.260 ( 2.294 2.871 1.616) 4.015 3.360 ( -1.496 3.840 -1.813) 4.503 3.445 ( -3.207 -2.797 -1.380) 4.474 3.872 ( -12.804 1.670 -1.405) 12.989 4.269 ( -5.007 4.842 -0.082) 6.966 5.351 ( -6.671 -6.401 3.546) 9.902 5.552 ( -7.665 -5.348 -1.729) 9.505 9.600 ( -4.868 4.171 -0.117) 6.412 10.504 ( -2.769 2.478 -0.011) 3.716 10.598 ( 3.387 -4.160 1.670) 5.618 11.565 ( 12.052 -1.947 -1.426) 12.292 17.595 ( 3.791 0.177 0.002) 3.795 18.970 ( 3.708 0.160 -0.097) 3.713 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -10.120 -2.166 3.238) 10.844 2.209 ( 9.890 1.802 -2.324) 10.318 2.388 ( -17.383 -2.058 0.323) 17.508 2.559 ( -7.232 1.517 -0.352) 7.397 2.941 ( -7.567 1.348 2.660) 8.133 3.158 ( -15.897 -6.392 -6.787) 18.429 3.347 ( 0.180 7.979 6.750) 10.453 3.474 ( 5.210 -0.566 -0.062) 5.241 3.753 ( -1.987 -0.365 -0.610) 2.111 4.226 ( -3.640 1.052 1.401) 4.039 5.148 ( -11.800 -2.912 -1.013) 12.196 5.366 ( -11.679 0.756 -0.291) 11.707 9.559 ( -2.330 0.108 -0.023) 2.333 10.478 ( -1.484 -0.093 0.003) 1.487 10.611 ( -0.354 -0.294 1.874) 1.930 11.752 ( 11.506 0.203 -2.223) 11.720 17.676 ( 6.061 -0.121 -0.624) 6.094 19.046 ( 4.994 0.169 0.814) 5.062 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -13.893 0.580 1.525) 13.988 2.011 ( -21.799 -5.986 -0.939) 22.626 2.320 ( 0.579 -2.438 1.855) 3.118 2.470 ( -4.176 1.028 -0.552) 4.336 2.788 ( -13.471 -6.580 -7.274) 16.664 2.810 ( -11.975 -0.122 1.993) 12.141 3.450 ( -1.549 10.655 11.779) 15.959 3.545 ( 3.402 0.988 -4.282) 5.558 3.775 ( 4.420 -0.528 3.026) 5.383 4.174 ( -3.221 -1.353 3.007) 4.609 4.924 ( -13.493 2.092 -4.096) 14.255 5.184 ( -11.988 3.496 -0.835) 12.515 9.529 ( 0.235 -2.473 0.150) 2.488 10.458 ( 0.092 -1.523 -0.055) 1.526 10.580 ( -5.327 2.482 2.605) 6.428 11.926 ( 9.510 0.521 -4.288) 10.445 17.788 ( 8.298 -1.066 -1.576) 8.513 19.141 ( 6.058 -0.448 2.585) 6.602 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.000 19.180 15.362) 24.574 1.696 ( 0.000 6.818 -0.908) 6.878 1.895 ( 0.000 13.871 2.149) 14.036 2.362 ( 0.000 -9.234 -13.661) 16.489 2.618 ( 0.000 3.510 -1.733) 3.914 2.765 ( 0.000 13.220 5.394) 14.278 3.324 ( -0.000 3.064 2.587) 4.010 3.576 ( 0.000 5.781 -1.488) 5.969 3.988 ( -0.000 -7.703 6.339) 9.976 4.043 ( -0.000 0.714 0.755) 1.039 5.006 ( 0.000 20.243 0.482) 20.249 5.193 ( 0.000 8.305 -1.959) 8.533 9.452 ( -0.000 -3.993 0.122) 3.995 10.434 ( -0.000 -3.495 -0.119) 3.497 10.685 ( -0.000 10.944 7.076) 13.032 11.878 ( 0.000 -3.266 -11.184) 11.651 17.813 ( -0.000 -8.020 -2.869) 8.518 19.261 ( -0.000 -10.194 5.637) 11.648 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -0.931 13.129 9.474) 16.217 1.903 ( 10.448 6.396 -1.736) 12.373 2.132 ( 7.763 8.572 -0.502) 11.576 2.251 ( 4.086 -5.048 -5.847) 8.739 2.730 ( 10.054 4.257 -3.367) 11.425 2.905 ( 1.928 9.459 6.759) 11.784 3.336 ( -0.534 0.028 1.284) 1.391 3.568 ( -3.424 -0.179 -0.337) 3.446 3.885 ( -4.536 -5.287 3.062) 7.610 4.110 ( 5.442 -0.808 3.575) 6.561 5.201 ( -0.649 20.522 1.416) 20.581 5.271 ( -2.412 13.703 -5.059) 14.804 9.444 ( 3.250 -3.221 0.210) 4.581 10.417 ( 1.812 -2.885 -0.201) 3.413 10.777 ( -2.108 7.600 6.472) 10.203 11.792 ( -3.069 -4.648 -8.578) 10.228 17.725 ( -1.365 -6.182 -2.154) 6.687 19.166 ( -1.626 -8.606 3.463) 9.418 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -4.181 12.300 8.323) 15.429 1.963 ( 0.638 -11.791 -8.445) 14.517 2.287 ( 16.038 1.806 -5.075) 16.919 2.499 ( 8.682 13.397 4.478) 16.580 3.002 ( 13.105 6.344 -2.675) 14.803 3.053 ( 8.186 5.165 7.149) 12.033 3.319 ( -0.810 -2.067 1.213) 2.530 3.487 ( -3.543 -2.278 -1.108) 4.356 3.777 ( -3.823 -1.941 0.494) 4.316 4.208 ( 6.972 -1.599 4.460) 8.430 5.325 ( -6.726 17.909 -4.646) 19.687 5.393 ( 1.665 14.109 0.603) 14.220 9.497 ( 5.462 -1.217 0.147) 5.598 10.441 ( 3.393 -1.187 -0.188) 3.599 10.783 ( -4.999 3.042 5.309) 7.901 11.649 ( -5.528 -6.235 -6.032) 10.287 17.644 ( -1.776 -4.149 -1.342) 4.709 19.066 ( -2.195 -6.587 1.735) 7.157 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.952 -13.189 -4.088) 13.841 1.934 ( -5.404 8.894 3.308) 10.921 2.541 ( 10.834 3.964 -1.151) 11.593 2.735 ( 5.162 9.672 1.225) 11.031 3.154 ( 3.872 2.609 4.350) 6.382 3.262 ( -3.441 -2.583 0.489) 4.330 3.308 ( 9.004 1.731 -1.066) 9.230 3.438 ( -0.037 -1.505 -0.529) 1.595 3.798 ( 6.416 7.473 -1.782) 10.009 4.349 ( 9.444 0.910 4.736) 10.604 5.343 ( -7.688 13.126 -4.380) 15.830 5.539 ( 2.233 8.403 1.109) 8.765 9.598 ( 5.962 2.100 0.045) 6.321 10.501 ( 3.517 1.131 -0.157) 3.698 10.701 ( -6.448 -1.606 3.995) 7.754 11.468 ( -6.313 -7.959 -3.957) 10.903 17.583 ( -1.563 -2.438 -0.627) 2.963 18.980 ( -1.958 -4.595 0.605) 5.031 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 3.301 -10.851 0.675) 11.362 1.909 ( -5.891 5.091 -0.656) 7.814 2.714 ( 4.146 6.458 0.188) 7.676 2.867 ( 3.280 3.958 0.775) 5.199 3.172 ( -3.059 -2.651 -0.645) 4.099 3.202 ( -0.602 -0.100 1.166) 1.316 3.388 ( -0.990 1.699 -1.830) 2.686 3.433 ( 2.664 -0.751 1.660) 3.227 4.074 ( 10.789 14.096 -3.308) 18.056 4.550 ( 7.426 7.060 4.576) 11.221 5.305 ( -5.481 4.450 -2.222) 7.401 5.627 ( 2.996 0.409 0.510) 3.066 9.729 ( 4.280 6.885 -0.103) 8.108 10.502 ( -4.134 -5.825 1.245) 7.250 10.642 ( 0.978 3.755 1.658) 4.220 11.280 ( -4.408 -10.086 -2.605) 11.311 17.543 ( -1.019 -1.235 -0.126) 1.606 18.918 ( -1.177 -2.833 -0.018) 3.068 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 4.388 -7.429 1.715) 8.797 1.852 ( -3.945 2.231 -1.448) 4.757 2.800 ( -1.560 6.817 -0.003) 6.993 2.947 ( 3.461 1.405 -0.577) 3.780 3.104 ( -3.109 -0.928 0.280) 3.256 3.178 ( -1.206 -0.858 1.458) 2.077 3.360 ( -2.437 1.523 -1.115) 3.083 3.482 ( 2.293 -0.017 -0.111) 2.296 4.331 ( 3.448 14.620 -3.823) 15.500 4.675 ( -7.386 12.712 2.197) 14.865 5.276 ( 4.014 -5.388 2.106) 7.041 5.650 ( 3.246 -6.078 -0.738) 6.930 9.850 ( -1.784 12.194 -0.405) 12.331 10.362 ( 0.336 -12.723 1.591) 12.826 10.720 ( -2.054 9.299 1.015) 9.577 11.143 ( 2.552 -11.821 -1.970) 12.253 17.524 ( -0.264 -0.511 0.126) 0.589 18.887 ( -0.058 -1.401 -0.271) 1.428 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 2.748 -3.404 -3.680) 5.716 1.843 ( 1.122 0.415 3.682) 3.871 2.796 ( -4.889 3.943 -0.218) 6.285 2.988 ( -0.722 1.004 -5.892) 6.020 3.057 ( -2.131 0.589 6.620) 6.979 3.174 ( 1.369 -0.459 0.745) 1.624 3.339 ( -1.348 1.194 -0.095) 1.804 3.504 ( 0.777 -0.065 -1.499) 1.689 4.427 ( -6.421 10.401 -5.278) 13.314 4.545 ( -17.510 6.821 3.030) 19.034 5.337 ( 7.049 -5.950 3.528) 9.876 5.629 ( 1.980 -5.759 -1.456) 6.262 9.854 ( -9.733 8.459 -0.405) 12.902 10.339 ( 9.191 -8.755 1.276) 12.757 10.709 ( -7.617 5.194 0.625) 9.240 11.170 ( 11.056 -5.842 -1.313) 12.573 17.525 ( 0.730 -0.164 0.142) 0.762 18.888 ( 1.234 -0.370 -0.256) 1.313 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.908 -1.270 -1.250) 2.000 1.905 ( 5.028 0.978 1.364) 5.301 2.720 ( -6.512 0.453 -0.146) 6.530 2.901 ( -8.015 -0.641 -2.802) 8.515 3.064 ( -0.725 0.200 4.679) 4.739 3.210 ( 3.063 -0.525 -0.307) 3.123 3.348 ( 1.170 1.088 1.397) 2.122 3.496 ( -1.355 0.004 -2.374) 2.733 4.194 ( -21.267 1.062 -2.661) 21.459 4.409 ( -7.369 0.815 2.986) 7.993 5.360 ( 0.337 -3.384 -0.848) 3.505 5.610 ( -1.913 1.512 0.346) 2.463 9.733 ( -8.407 0.122 -0.092) 8.408 10.456 ( 8.227 -0.438 0.917) 8.289 10.612 ( -5.972 -0.233 0.315) 5.984 11.347 ( 12.477 0.453 -1.041) 12.529 17.546 ( 2.051 -0.125 -0.061) 2.055 18.919 ( 2.559 0.187 -0.009) 2.566 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -5.015 0.360 0.939) 5.115 2.044 ( 9.826 1.268 -0.561) 9.923 2.583 ( -9.636 -3.051 -1.492) 10.218 2.698 ( -11.198 -5.366 0.242) 12.420 3.049 ( -2.742 0.340 5.066) 5.770 3.216 ( -2.792 -5.084 -3.967) 7.027 3.388 ( 2.410 -1.655 2.233) 3.679 3.465 ( -1.423 3.977 0.548) 4.259 3.877 ( -13.498 -0.669 -0.723) 13.534 4.293 ( -5.028 -3.690 3.285) 7.049 5.292 ( -6.568 1.972 -4.444) 8.171 5.573 ( -8.083 6.777 1.120) 10.607 9.601 ( -4.857 -4.024 0.078) 6.308 10.503 ( -2.872 -2.551 -0.089) 3.842 10.597 ( 3.725 3.288 1.451) 5.176 11.564 ( 11.761 2.580 -1.553) 12.140 17.591 ( 3.716 -0.419 -0.482) 3.771 18.975 ( 3.805 0.193 0.517) 3.845 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -9.889 2.644 -0.457) 10.246 2.205 ( 4.524 -3.872 1.415) 6.121 2.280 ( -14.394 -5.422 -3.916) 15.872 2.516 ( -4.827 -6.406 3.379) 8.703 2.928 ( -14.734 -9.483 -5.543) 18.378 3.013 ( -7.217 2.649 4.825) 9.076 3.446 ( 4.708 -0.994 3.280) 5.823 3.542 ( 3.628 4.239 2.610) 6.160 3.769 ( -1.833 2.660 0.523) 3.272 4.200 ( -2.499 -4.609 3.945) 6.561 5.167 ( -11.670 6.407 -6.034) 14.617 5.470 ( -13.606 9.139 0.002) 16.391 9.502 ( -1.492 -5.289 0.246) 5.501 10.438 ( -0.912 -3.604 -0.226) 3.725 10.671 ( -0.624 4.888 2.262) 5.422 11.765 ( 9.999 2.113 -2.912) 10.626 17.659 ( 5.548 -1.175 -1.125) 5.782 19.049 ( 4.900 -0.414 1.467) 5.131 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 3.458 -2.669) 4.368 1.980 ( 0.000 -3.691 -10.285) 10.927 2.154 ( -0.000 6.596 7.388) 9.904 2.180 ( -0.000 12.044 6.959) 13.909 2.666 ( 0.000 3.129 -5.155) 6.030 2.985 ( -0.000 6.490 7.429) 9.864 3.337 ( -0.000 -0.984 0.073) 0.987 3.571 ( -0.000 -4.694 0.076) 4.694 3.886 ( -0.000 -6.572 4.473) 7.950 4.062 ( -0.000 0.822 1.125) 1.393 5.380 ( 0.000 16.658 -0.103) 16.658 5.459 ( 0.000 20.102 -4.010) 20.498 9.382 ( -0.000 -3.374 0.387) 3.396 10.368 ( -0.000 -3.181 -0.319) 3.197 10.882 ( -0.000 6.472 5.699) 8.623 11.757 ( 0.000 -4.557 -6.932) 8.296 17.677 ( -0.000 -5.022 -1.674) 5.293 19.107 ( -0.000 -7.690 2.368) 8.046 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.078 -11.906 -8.277) 14.501 1.950 ( 13.320 1.476 -4.215) 14.049 2.182 ( -5.091 10.846 6.230) 13.504 2.471 ( 10.592 12.456 6.496) 17.594 2.781 ( 11.985 3.331 -5.399) 13.561 3.061 ( 1.348 2.925 8.852) 9.419 3.322 ( -0.413 -1.250 -0.343) 1.361 3.498 ( -2.189 -5.442 -0.713) 5.909 3.806 ( -2.514 -4.690 1.864) 5.638 4.109 ( 4.099 -0.387 2.008) 4.581 5.520 ( -1.214 14.705 -3.277) 15.114 5.606 ( -4.207 18.494 -0.576) 18.975 9.390 ( 4.340 -2.505 0.353) 5.023 10.364 ( 2.946 -2.374 -0.303) 3.796 10.912 ( -4.127 3.900 4.383) 7.173 11.666 ( -3.876 -4.746 -4.901) 7.846 17.625 ( -0.782 -3.518 -1.121) 3.774 19.035 ( -1.046 -6.055 1.361) 6.294 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.579 -12.561 -5.131) 13.581 2.128 ( -4.307 8.431 3.195) 9.992 2.311 ( 15.914 2.073 -1.569) 16.125 2.728 ( 6.587 8.209 2.075) 10.728 3.058 ( 15.083 1.930 -4.011) 15.726 3.139 ( 4.111 0.394 9.029) 9.928 3.303 ( -0.068 -0.956 -0.067) 0.961 3.421 ( -0.823 -2.544 -1.697) 3.167 3.765 ( 1.849 -0.008 0.128) 1.853 4.203 ( 7.734 -0.582 2.639) 8.193 5.587 ( -5.479 12.383 -6.485) 15.014 5.673 ( -5.654 12.192 3.341) 13.848 9.478 ( 7.928 -0.902 0.224) 7.982 10.419 ( 5.530 -0.848 -0.211) 5.598 10.839 ( -8.326 0.896 2.813) 8.834 11.517 ( -7.204 -4.899 -2.928) 9.191 17.581 ( -1.048 -2.114 -0.624) 2.440 18.967 ( -1.432 -4.188 0.643) 4.473 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 2.750 -9.009 0.063) 9.420 2.080 ( -8.343 5.169 -0.221) 9.817 2.595 ( 14.207 2.127 -0.312) 14.368 2.853 ( 2.438 2.038 1.539) 3.530 3.172 ( 0.935 -1.121 -2.145) 2.595 3.211 ( 0.538 0.604 1.757) 1.934 3.333 ( 5.685 -1.728 0.729) 5.987 3.425 ( 0.283 0.759 -0.088) 0.815 3.940 ( 15.114 6.595 -0.765) 16.508 4.386 ( 13.637 0.574 3.081) 13.992 5.536 ( -11.246 9.054 -5.734) 15.535 5.671 ( -4.746 3.916 3.329) 6.996 9.633 ( 10.326 1.372 0.116) 10.417 10.514 ( 3.967 0.218 -0.082) 3.974 10.687 ( -8.011 -0.996 1.400) 8.193 11.325 ( -9.306 -5.035 -1.404) 10.674 17.548 ( -0.963 -1.050 -0.261) 1.449 18.914 ( -1.256 -2.421 0.225) 2.737 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 4.493 -4.721 2.917) 7.140 1.971 ( -7.868 2.067 -2.539) 8.522 2.809 ( 8.531 3.070 0.295) 9.071 2.886 ( 1.345 -1.054 0.806) 1.890 3.141 ( -2.417 -0.078 -0.945) 2.596 3.197 ( -1.608 -0.480 0.192) 1.689 3.411 ( -1.298 0.750 0.685) 1.649 3.422 ( 4.016 -0.579 -0.733) 4.123 4.280 ( 14.877 7.277 -0.790) 16.580 4.659 ( 15.490 1.388 2.521) 15.755 5.370 ( -13.966 3.457 -2.870) 14.671 5.614 ( -3.427 -1.649 1.282) 4.013 9.842 ( 11.526 3.998 0.028) 12.200 10.387 ( -12.350 -4.685 0.265) 13.212 10.738 ( 8.259 3.839 0.255) 9.111 11.112 ( -9.914 -5.341 -0.516) 11.273 17.527 ( -0.644 -0.378 -0.056) 0.749 18.882 ( -0.654 -0.950 0.034) 1.154 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 3.895 -1.170 0.164) 4.070 1.878 ( -3.715 0.958 -0.303) 3.848 2.873 ( -1.804 -0.460 0.903) 2.069 2.947 ( 5.075 0.860 -1.837) 5.465 3.098 ( -2.473 -0.181 1.065) 2.699 3.167 ( -1.035 -0.546 -0.013) 1.170 3.385 ( -2.217 0.646 2.476) 3.386 3.472 ( 2.435 -0.301 -2.575) 3.556 4.498 ( 4.529 2.064 0.155) 4.980 4.815 ( -3.130 -1.668 -0.055) 3.547 5.207 ( -1.580 -0.524 -0.004) 1.665 5.573 ( 0.599 0.244 0.000) 0.647 10.084 ( 12.048 4.920 0.080) 13.014 10.119 ( -13.148 -5.396 -0.086) 14.213 10.898 ( -9.895 -4.281 0.047) 10.781 10.943 ( 10.785 4.665 -0.042) 11.751 17.519 ( -0.112 -0.050 -0.000) 0.123 18.874 ( 0.236 0.105 -0.000) 0.258 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 2.793 1.507 -4.153) 5.227 1.875 ( 1.094 1.048 3.674) 3.974 2.804 ( -4.644 -3.107 0.643) 5.624 2.971 ( -2.325 -1.327 -4.541) 5.271 3.070 ( -0.688 -0.917 4.787) 4.922 3.163 ( 1.429 -0.726 -0.798) 1.791 3.369 ( -1.241 0.517 3.672) 3.910 3.490 ( 0.902 -0.035 -3.308) 3.429 4.457 ( -7.732 -4.595 -2.686) 9.387 4.546 ( -15.758 -10.406 4.502) 19.413 5.290 ( 5.852 2.730 -2.780) 7.030 5.647 ( 2.644 6.890 0.941) 7.440 9.858 ( -9.946 -8.244 0.037) 12.919 10.330 ( 9.612 7.743 0.060) 12.343 10.704 ( -7.372 -5.685 -0.015) 9.309 11.179 ( 10.617 6.944 -0.093) 12.686 17.523 ( 0.680 -0.009 -0.082) 0.684 18.891 ( 1.278 0.659 0.089) 1.440 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 1.103 3.171 -2.461) 4.163 1.936 ( 4.440 1.272 2.235) 5.131 2.670 ( -6.478 -5.614 0.156) 8.574 2.813 ( -10.020 -7.629 -2.450) 12.830 3.070 ( 0.006 -1.308 5.375) 5.532 3.183 ( 1.620 -1.876 -1.573) 2.935 3.363 ( -0.413 -1.635 2.360) 2.901 3.494 ( 0.105 1.568 -2.302) 2.788 4.110 ( -17.843 -8.126 -1.171) 19.641 4.322 ( -4.731 -9.678 4.168) 11.550 5.378 ( -0.102 6.540 -4.376) 7.869 5.745 ( -1.897 9.860 1.190) 10.111 9.638 ( -6.646 -8.459 0.111) 10.758 10.510 ( 0.358 -0.618 0.097) 0.720 10.580 ( 1.530 2.585 0.372) 3.027 11.419 ( 10.211 6.555 -0.612) 12.150 17.542 ( 1.767 -0.240 -0.298) 1.808 18.928 ( 2.348 0.651 0.310) 2.456 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -5.091 4.311 -2.722) 7.205 2.065 ( 8.363 0.300 2.537) 8.744 2.447 ( -13.371 -8.817 -5.782) 17.028 2.546 ( -7.923 -10.842 5.379) 14.466 3.025 ( -6.517 -6.149 0.276) 8.965 3.123 ( -4.106 -1.108 2.250) 4.811 3.361 ( 3.746 -2.562 2.263) 5.072 3.526 ( 1.462 2.637 -1.564) 3.397 3.847 ( -6.284 -2.279 1.046) 6.765 4.194 ( -2.400 -6.704 3.151) 7.787 5.385 ( -6.688 8.699 -4.762) 11.962 5.761 ( -8.539 10.886 0.412) 13.841 9.480 ( -3.149 -7.474 0.231) 8.114 10.420 ( -2.158 -5.233 -0.198) 5.664 10.711 ( 2.839 6.700 1.409) 7.412 11.631 ( 8.983 4.508 -1.603) 10.178 17.576 ( 3.083 -0.790 -0.653) 3.249 18.981 ( 3.349 0.055 0.722) 3.426 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.000 -13.302 -8.730) 15.911 1.817 ( 0.000 2.056 -1.128) 2.345 2.399 ( -0.000 6.999 6.698) 9.687 2.470 ( 0.000 15.480 4.061) 16.004 2.692 ( 0.000 2.711 -6.239) 6.802 3.084 ( -0.000 -0.634 10.076) 10.096 3.305 ( 0.000 -2.315 -1.436) 2.724 3.458 ( -0.000 -5.306 -1.380) 5.482 3.777 ( -0.000 -5.633 1.850) 5.929 4.081 ( -0.000 0.565 0.915) 1.075 5.661 ( 0.000 13.053 -2.945) 13.381 5.805 ( 0.000 15.327 -0.478) 15.334 9.329 ( -0.000 -2.278 0.365) 2.307 10.314 ( -0.000 -2.199 -0.297) 2.219 10.991 ( -0.000 2.919 2.941) 4.144 11.650 ( 0.000 -3.755 -3.234) 4.955 17.600 ( -0.000 -2.526 -0.833) 2.660 18.994 ( -0.000 -4.791 0.947) 4.884 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.041 -9.770 -3.095) 10.249 1.975 ( 15.591 1.390 -0.520) 15.662 2.378 ( -7.441 6.174 2.335) 9.947 2.698 ( 6.393 8.926 -0.563) 10.994 2.824 ( 13.253 3.962 -2.097) 13.990 3.100 ( 2.236 -3.920 9.320) 10.355 3.273 ( 0.131 -3.395 -2.414) 4.168 3.410 ( -0.699 -1.818 -1.010) 2.194 3.734 ( 0.241 -3.036 1.292) 3.308 4.114 ( 3.281 0.025 0.913) 3.406 5.742 ( -2.549 9.360 -3.561) 10.334 5.890 ( -4.804 10.396 0.804) 11.481 9.353 ( 5.000 -1.431 0.235) 5.206 10.327 ( 3.686 -1.303 -0.195) 3.914 10.973 ( -5.282 1.224 1.224) 5.559 11.576 ( -4.425 -2.760 -1.393) 5.398 17.575 ( -0.498 -1.470 -0.553) 1.647 18.951 ( -0.726 -3.147 0.621) 3.289 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 1.375 -4.693 2.342) 5.422 2.239 ( 1.075 2.540 -1.074) 2.960 2.344 ( 9.735 1.324 -0.114) 9.825 2.829 ( 2.976 2.319 0.520) 3.808 3.080 ( 10.277 2.016 -1.882) 10.641 3.161 ( 7.981 -2.727 2.679) 8.849 3.242 ( -0.015 -2.124 -1.633) 2.679 3.413 ( 1.670 0.881 0.854) 2.072 3.772 ( 7.409 0.254 1.748) 7.617 4.204 ( 8.037 -0.413 0.781) 8.086 5.734 ( -5.760 5.452 -4.964) 9.357 5.849 ( -8.886 4.108 2.880) 10.204 9.466 ( 9.321 -0.402 0.115) 9.331 10.408 ( 6.750 -0.261 -0.083) 6.755 10.849 ( -9.939 -0.291 -0.334) 9.949 11.447 ( -8.341 -1.490 0.169) 8.475 17.553 ( -0.749 -0.568 -0.325) 0.995 18.915 ( -1.057 -1.475 0.407) 1.860 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 2.823 0.289 5.344) 6.051 2.120 ( -9.167 -0.160 -4.059) 10.027 2.618 ( 15.071 0.191 0.454) 15.079 2.867 ( 1.189 -0.440 2.172) 2.515 3.164 ( 0.624 0.735 -2.005) 2.225 3.218 ( -0.895 -0.930 -0.971) 1.615 3.296 ( 8.434 -0.375 -1.776) 8.627 3.442 ( -0.153 0.173 1.754) 1.769 4.020 ( 18.822 0.825 2.778) 19.044 4.386 ( 14.539 -1.374 -0.315) 14.607 5.624 ( -11.410 2.805 -5.870) 13.134 5.709 ( -8.512 -2.052 4.441) 9.818 9.647 ( 12.307 -0.042 0.111) 12.307 10.513 ( 2.083 0.000 -0.121) 2.086 10.673 ( -6.280 -0.650 -1.382) 6.463 11.280 ( -10.987 0.647 1.218) 11.073 17.538 ( -0.809 0.072 -0.161) 0.828 18.891 ( -1.000 -0.040 0.272) 1.037 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 2.898 3.515 3.830) 5.952 1.964 ( -6.665 -1.088 -3.469) 7.592 2.802 ( 7.598 -3.079 -0.546) 8.216 2.894 ( 2.217 0.482 2.118) 3.104 3.146 ( -2.535 0.711 -0.751) 2.738 3.190 ( -1.635 -0.039 -0.767) 1.807 3.398 ( 4.702 -0.274 -3.843) 6.079 3.430 ( -1.342 -0.083 3.333) 3.594 4.316 ( 15.273 -4.861 4.165) 16.560 4.617 ( 14.778 -4.938 -3.272) 15.921 5.389 ( -14.423 -1.102 -0.429) 14.472 5.605 ( -2.831 0.682 0.233) 2.921 9.845 ( 11.807 -3.937 0.354) 12.452 10.374 ( -12.659 3.784 -1.469) 13.294 10.728 ( 8.035 -4.370 -0.993) 9.200 11.131 ( -9.667 6.591 1.910) 11.855 17.527 ( -0.693 0.423 -0.062) 0.814 18.883 ( -0.607 0.986 0.184) 1.173 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 1.318 4.405 -2.134) 5.069 1.892 ( -1.134 0.503 1.541) 1.979 2.806 ( -0.509 -5.958 0.454) 5.997 2.940 ( 1.906 -2.688 -0.143) 3.299 3.109 ( -2.377 0.954 -0.353) 2.586 3.159 ( -1.714 0.082 -0.722) 1.861 3.400 ( -1.435 -0.827 2.489) 2.990 3.456 ( 2.320 0.403 -1.886) 3.017 4.396 ( 3.627 -13.045 4.914) 14.404 4.622 ( -5.125 -13.850 -5.080) 15.617 5.265 ( 0.332 4.919 0.598) 4.966 5.655 ( 4.289 6.225 -0.117) 7.560 9.856 ( -1.845 -12.517 0.294) 12.655 10.340 ( 0.721 12.365 -1.275) 12.451 10.708 ( -1.749 -9.306 -0.573) 9.486 11.168 ( 1.936 12.389 1.388) 12.616 17.523 ( -0.364 0.497 -0.032) 0.617 18.890 ( 0.034 1.499 0.135) 1.505 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 2.614 4.818 -2.895) 6.199 1.917 ( 1.094 1.822 2.314) 3.142 2.696 ( -4.413 -8.171 1.163) 9.359 2.856 ( -5.276 -9.440 -2.101) 11.016 3.084 ( -1.566 0.042 2.124) 2.639 3.143 ( 0.395 -0.380 -1.373) 1.479 3.366 ( -1.604 -2.554 1.672) 3.448 3.493 ( 1.421 1.726 -0.991) 2.446 4.239 ( -8.478 -19.965 3.351) 21.947 4.310 ( -8.089 -7.862 -2.505) 11.555 5.398 ( 4.990 7.433 -1.202) 9.033 5.814 ( 4.682 8.386 0.345) 9.611 9.654 ( -6.401 -11.055 0.039) 12.774 10.500 ( 1.994 3.619 -0.140) 4.134 10.585 ( -0.657 -0.769 -0.425) 1.097 11.361 ( 6.320 10.429 0.441) 12.202 17.525 ( 0.225 0.317 -0.080) 0.397 18.912 ( 0.814 1.449 0.135) 1.667 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 0.405 5.791 -2.904) 6.491 1.971 ( 4.116 1.059 2.739) 5.056 2.514 ( -7.294 -9.849 -1.838) 12.393 2.598 ( -10.226 -13.447 1.387) 16.951 3.048 ( -2.613 -4.184 1.726) 5.226 3.145 ( 0.060 -0.629 0.444) 0.773 3.305 ( -0.820 -4.064 0.002) 4.146 3.533 ( 0.929 2.607 -0.711) 2.858 3.918 ( -8.314 -9.773 0.215) 12.833 4.174 ( -2.386 -6.138 1.313) 6.715 5.514 ( 0.079 7.681 -1.745) 7.877 5.935 ( -0.523 8.636 0.197) 8.654 9.466 ( -4.463 -8.492 0.098) 9.594 10.409 ( -3.129 -5.993 -0.081) 6.761 10.721 ( 4.385 7.804 0.464) 8.963 11.555 ( 6.447 7.113 -0.495) 9.613 17.536 ( 1.070 -0.109 -0.212) 1.096 18.944 ( 1.627 0.838 0.214) 1.843 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -0.000 -4.455 1.746) 4.784 1.843 ( -0.000 0.829 0.566) 1.004 2.491 ( 0.000 0.706 0.027) 0.706 2.725 ( 0.000 2.610 -0.627) 2.685 2.743 ( 0.000 12.589 -3.859) 13.168 3.024 ( -0.000 -10.918 5.254) 12.116 3.244 ( -0.000 -1.178 -0.432) 1.255 3.404 ( -0.000 -0.352 0.286) 0.453 3.710 ( -0.000 -1.958 1.632) 2.549 4.090 ( -0.000 0.034 0.214) 0.216 5.828 ( 0.000 5.360 -2.913) 6.101 6.010 ( 0.000 5.523 0.688) 5.566 9.300 ( -0.000 -0.871 0.113) 0.878 10.284 ( -0.000 -0.731 -0.093) 0.737 11.027 ( 0.000 0.359 -0.539) 0.648 11.595 ( -0.000 -1.044 0.325) 1.093 17.567 ( 0.000 -0.657 -0.441) 0.792 18.935 ( -0.000 -1.702 0.570) 1.795 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.064 1.682 6.599) 6.810 1.993 ( 15.636 0.346 1.377) 15.700 2.423 ( -6.318 -1.227 -3.189) 7.183 2.802 ( 4.233 3.316 -0.402) 5.392 2.920 ( 9.244 5.022 -0.660) 10.541 2.955 ( 6.594 -11.326 -4.020) 13.708 3.246 ( -0.142 1.215 1.760) 2.144 3.408 ( 0.169 0.564 1.885) 1.975 3.712 ( 1.298 -0.167 2.103) 2.477 4.113 ( 3.015 -0.349 -0.179) 3.041 5.827 ( -2.867 0.903 -3.070) 4.297 5.996 ( -5.156 -0.116 1.399) 5.343 9.339 ( 5.223 -0.092 -0.020) 5.224 10.314 ( 3.933 0.076 0.020) 3.934 10.975 ( -5.612 -0.672 -2.042) 6.010 11.556 ( -4.674 0.684 1.770) 5.044 17.561 ( -0.425 0.163 -0.301) 0.546 18.922 ( -0.613 -0.155 0.488) 0.799 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.456 6.475 8.567) 10.748 2.218 ( -2.538 -3.633 -4.585) 6.376 2.349 ( 13.451 -0.574 1.130) 13.511 2.841 ( 1.645 -3.060 2.591) 4.334 3.044 ( 10.795 -2.158 -11.863) 16.184 3.113 ( 9.631 -0.001 2.268) 9.895 3.265 ( -0.149 2.423 0.886) 2.584 3.430 ( 1.270 -0.124 2.684) 2.972 3.787 ( 8.155 -0.230 3.495) 8.875 4.191 ( 7.479 -0.845 -1.081) 7.603 5.742 ( -5.073 -2.393 -4.154) 6.980 5.848 ( -9.571 -5.657 2.992) 11.513 9.464 ( 9.364 0.273 -0.047) 9.368 10.409 ( 6.734 0.379 0.081) 6.745 10.828 ( -9.857 -0.983 -2.986) 10.346 11.466 ( -8.461 2.775 2.643) 9.289 17.555 ( -0.783 0.853 -0.143) 1.166 18.914 ( -1.018 1.208 0.359) 1.620 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.495 8.823 6.845) 11.178 2.041 ( -6.988 -5.099 -5.636) 10.324 2.607 ( 13.049 -1.705 1.396) 13.234 2.850 ( 2.744 -3.377 1.493) 4.601 3.136 ( 4.578 -1.481 -7.318) 8.759 3.210 ( 0.289 1.537 0.978) 1.844 3.313 ( 3.900 1.994 -0.901) 4.472 3.445 ( 0.274 -0.923 2.637) 2.807 3.985 ( 16.181 -6.572 4.854) 18.127 4.341 ( 12.160 -2.001 -3.113) 12.711 5.572 ( -11.418 -6.413 -2.671) 13.366 5.650 ( -4.396 -5.122 2.274) 7.123 9.633 ( 10.463 -1.414 0.073) 10.559 10.514 ( 3.309 -0.062 -0.050) 3.310 10.651 ( -7.316 -0.220 -3.266) 8.015 11.359 ( -9.519 6.169 2.950) 11.721 17.550 ( -1.055 1.305 0.015) 1.678 18.913 ( -1.153 2.173 0.192) 2.468 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -1.236 6.530 -0.383) 6.657 1.919 ( -2.042 -0.976 0.017) 2.264 2.716 ( 4.233 -5.815 0.378) 7.203 2.867 ( 2.873 -5.130 1.200) 6.001 3.141 ( -0.627 -0.423 -4.735) 4.795 3.202 ( -2.222 1.396 0.759) 2.732 3.387 ( 2.443 1.320 -3.746) 4.663 3.441 ( -0.085 -0.817 4.724) 4.795 4.136 ( 11.427 -15.063 4.812) 19.510 4.475 ( 6.868 -6.895 -5.520) 11.188 5.338 ( -6.506 -4.099 2.108) 7.973 5.618 ( 3.585 -0.046 -0.685) 3.650 9.731 ( 4.379 -7.013 0.172) 8.270 10.478 ( -4.858 6.555 -1.891) 8.375 10.621 ( 2.071 -5.083 -1.092) 5.596 11.320 ( -4.928 10.862 2.587) 12.205 17.545 ( -1.176 1.455 0.141) 1.876 18.919 ( -1.005 2.614 0.020) 2.800 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.888 2.508 -2.047) 3.357 1.939 ( -0.047 4.570 1.358) 4.768 2.664 ( -1.399 -9.322 1.731) 9.584 2.807 ( -1.695 -11.130 -0.745) 11.283 3.105 ( -1.509 -0.525 -4.307) 4.594 3.173 ( -2.514 0.331 1.107) 2.766 3.374 ( -1.959 -1.860 -0.539) 2.754 3.477 ( 2.187 1.521 1.838) 3.236 4.094 ( 2.321 -18.035 3.058) 18.439 4.356 ( -6.774 -9.915 -5.005) 13.009 5.353 ( 6.306 2.794 2.590) 7.368 5.751 ( 9.288 3.204 -0.507) 9.838 9.639 ( -3.976 -9.929 -0.052) 10.695 10.511 ( -1.032 -0.739 -0.142) 1.278 10.586 ( 1.236 3.468 -1.496) 3.974 11.411 ( 1.070 11.917 1.578) 12.069 17.540 ( -1.053 1.296 0.210) 1.683 18.930 ( -0.621 2.488 -0.122) 2.567 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.000 8.079 11.099) 13.728 1.854 ( -0.000 -0.332 2.118) 2.143 2.442 ( 0.000 -3.866 -5.939) 7.087 2.743 ( 0.000 -16.076 -7.097) 17.573 2.769 ( -0.000 0.382 4.423) 4.439 2.913 ( 0.000 7.061 -5.148) 8.739 3.270 ( -0.000 2.312 1.828) 2.948 3.423 ( -0.000 1.470 2.899) 3.250 3.713 ( -0.000 1.268 1.852) 2.245 4.085 ( 0.000 -0.494 -0.509) 0.709 5.829 ( 0.000 -3.880 -2.661) 4.705 6.016 ( -0.000 -5.399 1.410) 5.580 9.298 ( 0.000 0.688 -0.152) 0.705 10.286 ( 0.000 0.880 0.120) 0.888 11.005 ( 0.000 -1.672 -3.406) 3.795 11.617 ( -0.000 2.437 3.087) 3.933 17.569 ( 0.000 1.044 -0.180) 1.060 18.934 ( 0.000 1.297 0.430) 1.367 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -1.453 11.478 11.289) 16.165 2.003 ( 15.367 -0.350 3.421) 15.747 2.312 ( -5.928 -7.602 -6.589) 11.677 2.663 ( 9.139 -14.086 -6.769) 18.104 2.856 ( 8.939 0.489 1.393) 9.060 2.984 ( 3.896 2.465 -3.886) 6.030 3.294 ( -0.255 2.214 0.597) 2.307 3.443 ( -0.746 2.070 3.323) 3.985 3.741 ( 0.890 1.975 1.867) 2.860 4.100 ( 2.840 -0.595 -0.901) 3.039 5.745 ( -2.281 -7.812 -2.963) 8.661 5.901 ( -5.104 -10.381 2.050) 11.748 9.350 ( 5.048 1.312 -0.179) 5.218 10.330 ( 3.662 1.405 0.157) 3.925 10.931 ( -5.158 -2.409 -4.171) 7.057 11.617 ( -4.586 4.127 3.870) 7.283 17.579 ( -0.536 1.927 0.024) 2.000 18.948 ( -0.676 2.608 0.223) 2.703 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -1.526 11.902 7.838) 14.333 2.062 ( -5.150 -8.862 -6.053) 11.904 2.349 ( 16.858 -0.541 3.847) 17.300 2.689 ( 9.047 -11.111 -3.913) 14.853 3.010 ( 5.779 1.307 -7.353) 9.443 3.112 ( 13.276 -1.726 2.903) 13.699 3.302 ( -0.696 0.724 0.238) 1.032 3.449 ( -1.446 1.471 2.197) 3.013 3.787 ( 3.454 -1.325 2.588) 4.515 4.171 ( 6.639 -0.302 -1.759) 6.875 5.603 ( -3.431 -9.845 -4.947) 11.540 5.676 ( -7.645 -13.243 4.424) 15.918 9.475 ( 8.035 0.884 -0.073) 8.084 10.422 ( 5.492 0.878 0.130) 5.563 10.784 ( -8.077 -1.919 -4.345) 9.370 11.571 ( -7.592 6.213 4.093) 10.630 17.587 ( -1.161 2.619 0.265) 2.877 18.962 ( -1.277 3.527 -0.082) 3.753 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -3.514 -1.991 -5.562) 6.874 1.963 ( -1.543 5.647 5.082) 7.752 2.564 ( 8.592 -4.024 1.904) 9.677 2.720 ( 7.373 -9.936 -0.817) 12.400 3.069 ( 4.751 -2.378 -6.261) 8.211 3.262 ( -2.733 1.352 0.641) 3.116 3.335 ( 8.919 -0.204 1.868) 9.115 3.437 ( -1.009 0.209 -0.120) 1.037 3.838 ( 7.570 -8.887 3.135) 12.088 4.291 ( 8.193 -1.674 -3.074) 8.909 5.379 ( -6.952 -12.185 0.210) 14.030 5.533 ( 1.909 -7.833 0.558) 8.082 9.598 ( 6.059 -2.087 0.068) 6.409 10.503 ( 3.491 -1.135 0.109) 3.673 10.641 ( -5.998 0.808 -3.979) 7.243 11.526 ( -6.992 9.126 3.763) 12.096 17.591 ( -1.770 2.940 0.477) 3.464 18.972 ( -1.670 3.897 -0.386) 4.257 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.956 -4.731 -3.635) 6.043 2.032 ( -2.252 9.725 2.751) 10.355 2.570 ( 1.623 -11.107 1.997) 11.401 2.703 ( 1.360 -10.647 -1.136) 10.793 3.090 ( 1.620 -2.112 -6.272) 6.813 3.189 ( -2.167 -6.914 3.672) 8.123 3.405 ( -2.401 1.822 -2.513) 3.924 3.462 ( 2.911 2.543 1.448) 4.128 3.868 ( 6.723 -11.425 1.580) 13.351 4.322 ( -0.237 -6.190 -4.546) 7.684 5.261 ( 4.034 -5.450 4.081) 7.914 5.580 ( 10.162 -3.793 -0.612) 10.864 9.601 ( -0.990 -6.159 -0.044) 6.238 10.502 ( -0.788 -3.806 0.127) 3.889 10.612 ( 0.458 4.964 -2.840) 5.738 11.548 ( -3.143 11.218 2.842) 11.992 17.587 ( -2.182 2.807 0.610) 3.607 18.979 ( -1.781 3.674 -0.605) 4.127 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -0.000 -1.588 3.381) 3.735 1.850 ( -0.000 15.293 13.965) 20.710 2.300 ( 0.000 -7.552 -6.964) 10.272 2.362 ( 0.000 -18.654 -11.676) 22.007 2.770 ( -0.000 -2.521 4.355) 5.032 2.973 ( 0.000 1.331 -4.185) 4.391 3.316 ( 0.000 1.660 0.418) 1.712 3.491 ( -0.000 4.021 3.048) 5.046 3.768 ( 0.000 3.489 0.272) 3.500 4.069 ( 0.000 -0.768 -0.733) 1.062 5.659 ( -0.000 -12.211 -2.850) 12.540 5.827 ( -0.000 -14.648 2.071) 14.793 9.325 ( 0.000 2.212 -0.203) 2.221 10.318 ( 0.000 2.256 0.165) 2.262 10.931 ( 0.000 -3.977 -4.845) 6.268 11.711 ( -0.000 5.250 4.718) 7.059 17.609 ( 0.000 3.154 0.319) 3.170 18.986 ( 0.000 3.913 -0.156) 3.916 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 2.006 0.940 0.814) 2.360 2.045 ( -2.558 -2.010 2.986) 4.416 2.117 ( 8.163 0.205 2.725) 8.608 2.362 ( 12.388 -13.009 -8.309) 19.792 2.837 ( 10.472 -3.461 2.167) 11.240 2.970 ( 1.377 -2.591 -2.941) 4.154 3.325 ( -0.689 0.964 0.755) 1.405 3.520 ( -2.268 4.182 2.174) 5.230 3.791 ( -1.115 2.431 -0.525) 2.725 4.087 ( 3.206 -0.245 -0.932) 3.347 5.509 ( -1.101 -14.705 -3.630) 15.186 5.639 ( -4.292 -17.169 2.861) 17.927 9.387 ( 4.415 2.527 -0.092) 5.088 10.367 ( 2.913 2.364 0.097) 3.753 10.841 ( -3.932 -4.818 -4.941) 7.943 11.742 ( -4.193 6.391 5.092) 9.184 17.639 ( -0.870 4.265 0.666) 4.403 19.020 ( -0.894 4.853 -0.692) 4.983 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -3.055 -12.408 -9.663) 16.021 2.083 ( 1.138 8.453 7.179) 11.148 2.371 ( 11.525 -0.813 5.833) 12.943 2.427 ( 12.488 -11.438 -4.889) 17.626 2.954 ( 3.275 -4.922 -3.757) 7.005 3.047 ( 17.303 -6.667 0.917) 18.566 3.310 ( -1.800 0.373 0.951) 2.070 3.504 ( -3.851 2.918 0.942) 4.923 3.773 ( -1.817 -0.080 -0.078) 1.821 4.164 ( 5.877 0.221 -1.624) 6.101 5.322 ( -3.021 -16.523 -3.571) 17.172 5.424 ( -1.498 -14.207 3.331) 14.669 9.496 ( 5.557 1.298 0.067) 5.707 10.442 ( 3.363 1.115 0.011) 3.543 10.709 ( -4.612 -3.802 -4.521) 7.495 11.732 ( -6.250 7.941 4.940) 11.248 17.662 ( -1.989 4.927 0.960) 5.399 19.044 ( -1.795 5.205 -1.193) 5.633 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 1.478 -10.744 -5.840) 12.318 2.185 ( -1.909 10.016 4.491) 11.142 2.391 ( 4.918 -15.844 -0.586) 16.600 2.555 ( 6.581 -5.344 0.861) 8.521 2.968 ( 6.070 -5.629 -4.826) 9.582 3.109 ( 0.705 -17.005 6.075) 18.071 3.394 ( 9.030 5.745 -6.002) 12.271 3.472 ( -3.012 2.964 0.278) 4.235 3.747 ( -0.179 -1.082 0.911) 1.426 4.241 ( 3.594 -2.135 -3.082) 5.193 5.138 ( 1.158 -12.831 2.029) 13.042 5.363 ( 7.189 -9.734 0.541) 12.113 9.559 ( 1.338 -1.924 0.039) 2.344 10.478 ( 0.584 -1.330 0.015) 1.453 10.630 ( -0.412 -0.419 -3.573) 3.621 11.729 ( -5.132 9.669 4.192) 11.722 17.670 ( -3.085 4.907 1.120) 5.903 19.054 ( -2.474 4.897 -1.467) 5.679 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -0.000 -3.937 3.065) 4.990 1.926 ( 0.000 -20.247 -12.968) 24.044 2.096 ( 0.000 -10.249 -4.342) 11.131 2.221 ( -0.000 15.741 11.555) 19.527 2.715 ( -0.000 -4.605 1.631) 4.886 2.914 ( -0.000 -6.136 -2.155) 6.504 3.343 ( -0.000 0.557 1.711) 1.800 3.590 ( -0.000 4.288 2.227) 4.832 3.830 ( 0.000 3.246 -3.319) 4.642 4.051 ( 0.000 -0.730 -0.326) 0.799 5.353 ( -0.000 -17.528 -3.407) 17.856 5.506 ( -0.000 -18.524 2.073) 18.639 9.379 ( 0.000 3.456 0.026) 3.456 10.371 ( 0.000 3.123 -0.011) 3.123 10.802 ( 0.000 -7.243 -5.023) 8.814 11.853 ( -0.000 6.636 5.776) 8.798 17.698 ( 0.000 5.937 1.121) 6.041 19.077 ( 0.000 5.883 -1.558) 6.086 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -3.152 -17.207 -10.895) 20.608 1.926 ( 14.213 -8.407 0.173) 16.514 2.102 ( 10.963 -9.692 -0.776) 14.654 2.385 ( -0.019 11.981 9.000) 14.984 2.752 ( 9.831 -5.229 -0.549) 11.148 2.842 ( 1.349 -9.730 -1.782) 9.983 3.335 ( -1.294 -1.509 2.737) 3.383 3.596 ( -3.355 1.591 2.710) 4.597 3.826 ( -2.434 3.147 -4.662) 6.128 4.081 ( 3.924 -0.196 -0.525) 3.964 5.167 ( -0.448 -18.428 -3.409) 18.746 5.318 ( -2.050 -15.870 1.599) 16.082 9.444 ( 3.300 3.351 0.194) 4.707 10.417 ( 1.790 2.773 -0.137) 3.304 10.694 ( -1.905 -8.196 -4.590) 9.585 11.900 ( -3.604 7.104 5.979) 9.960 17.753 ( -1.509 7.147 1.491) 7.455 19.122 ( -1.245 6.324 -2.399) 6.878 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 1.396 -15.414 -7.585) 17.236 2.049 ( 12.899 -16.630 -2.156) 21.157 2.238 ( 9.607 -1.000 4.125) 10.503 2.468 ( -0.368 2.387 3.078) 3.912 2.781 ( 5.179 -11.620 -2.402) 12.947 2.887 ( 9.353 -8.984 2.387) 13.187 3.304 ( 2.841 -1.956 -1.674) 3.834 3.553 ( -3.217 1.204 3.689) 5.040 3.802 ( -3.418 4.271 -4.872) 7.325 4.152 ( 4.655 -0.990 -1.205) 4.909 4.983 ( 0.516 -16.426 -1.126) 16.473 5.185 ( 1.931 -10.923 0.893) 11.128 9.525 ( 2.415 1.546 0.197) 2.874 10.462 ( 0.912 0.852 -0.259) 1.275 10.592 ( 0.203 -6.329 -3.656) 7.312 11.912 ( -4.928 7.989 5.514) 10.886 17.787 ( -3.394 7.433 1.657) 8.338 19.144 ( -2.498 6.001 -2.809) 7.081 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 -20.932 -11.714) 23.987 1.673 ( -0.000 -12.350 -3.382) 12.805 1.921 ( -0.000 -6.829 5.077) 8.509 2.518 ( -0.000 8.180 7.312) 10.971 2.616 ( -0.000 -5.349 -2.043) 5.726 2.718 ( -0.000 -12.522 -1.402) 12.601 3.327 ( -0.000 -5.672 5.276) 7.747 3.635 ( -0.000 -2.065 5.547) 5.919 3.874 ( 0.000 5.494 -8.944) 10.497 4.039 ( -0.000 -0.506 0.347) 0.614 4.986 ( -0.000 -18.129 -2.405) 18.288 5.197 ( -0.000 -12.410 -1.309) 12.478 9.454 ( 0.000 4.155 0.401) 4.174 10.433 ( 0.000 3.375 -0.301) 3.388 10.602 ( -0.000 -11.286 -4.134) 12.020 12.011 ( -0.000 6.597 6.670) 9.381 17.849 ( 0.000 9.028 1.910) 9.228 19.190 ( 0.000 6.946 -3.729) 7.883 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.668 -19.048 -8.457) 20.851 1.647 ( 12.674 -17.425 -4.394) 21.991 2.003 ( 13.048 -4.725 7.531) 15.789 2.501 ( -0.568 -6.650 0.109) 6.675 2.573 ( 1.665 -14.826 -2.696) 15.161 2.715 ( 7.283 2.439 0.900) 7.733 3.230 ( -1.452 -13.682 5.427) 14.791 3.611 ( -1.817 -0.695 8.417) 8.639 3.891 ( -2.484 7.183 -10.865) 13.260 4.070 ( 3.565 -0.885 0.377) 3.692 4.817 ( 0.142 -15.517 -1.251) 15.568 5.089 ( -0.613 -7.201 -2.736) 7.728 9.514 ( 1.843 3.622 0.458) 4.090 10.457 ( -0.163 -3.031 -1.640) 3.450 10.494 ( 1.538 -6.150 -2.031) 6.657 12.063 ( -2.959 6.546 6.652) 9.791 17.926 ( -2.515 9.852 2.063) 10.375 19.232 ( -1.675 6.745 -4.520) 8.290 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.000 -20.446 -7.413) 21.748 1.344 ( -0.000 -18.743 -4.684) 19.320 1.851 ( -0.000 -4.971 8.532) 9.874 2.298 ( -0.000 -25.705 0.047) 25.705 2.501 ( 0.000 -4.558 -4.817) 6.631 2.665 ( 0.000 -0.239 -4.363) 4.369 3.089 ( -0.000 -23.340 12.658) 26.551 3.651 ( -0.000 1.138 13.314) 13.362 3.959 ( 0.000 8.487 -14.734) 17.004 4.035 ( -0.000 -0.278 0.798) 0.845 4.683 ( -0.000 -11.834 -0.305) 11.838 5.040 ( 0.000 -2.583 -6.124) 6.646 9.537 ( 0.000 4.108 0.678) 4.164 10.334 ( -0.000 -14.733 -2.389) 14.925 10.494 ( 0.000 3.056 -0.520) 3.100 12.163 ( -0.000 5.600 7.222) 9.138 18.057 ( 0.000 11.294 2.157) 11.498 19.300 ( 0.000 6.784 -5.926) 9.008 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -0.000 0.000 19.760) 19.760 0.285 ( -0.000 0.000 19.760) 19.760 0.353 ( -0.000 0.000 40.253) 40.253 1.623 ( 0.000 -0.000 -9.206) 9.206 1.623 ( 0.000 -0.000 -9.206) 9.206 2.391 ( -0.000 0.000 4.212) 4.212 2.391 ( -0.000 0.000 4.212) 4.212 3.689 ( 0.000 -0.000 -25.785) 25.785 4.032 ( 0.000 -0.000 -0.118) 0.118 4.032 ( 0.000 -0.000 -0.118) 0.118 4.626 ( -0.000 0.000 31.916) 31.916 6.369 ( 0.000 -0.000 -9.242) 9.242 9.677 ( 0.000 -0.000 -0.418) 0.418 9.677 ( 0.000 -0.000 -0.418) 0.418 10.591 ( -0.000 0.000 0.299) 0.299 10.591 ( -0.000 0.000 0.299) 0.299 18.536 ( 0.000 -0.000 -0.015) 0.015 20.767 ( 0.000 -0.000 -0.117) 0.117 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 8.630 4.983 30.115) 31.721 0.557 ( 16.493 9.522 9.995) 21.508 1.003 ( 34.923 20.163 13.914) 42.658 1.674 ( 5.128 2.961 -8.256) 10.160 1.802 ( 16.819 9.710 -11.552) 22.597 2.379 ( -0.814 -0.470 3.442) 3.568 2.642 ( 15.504 8.951 2.589) 18.089 3.570 ( -2.598 -1.500 -19.911) 20.136 4.040 ( 0.395 0.228 0.185) 0.492 4.152 ( 5.661 3.268 -11.649) 13.357 4.618 ( -6.299 -3.637 26.094) 27.088 5.566 ( -28.646 -16.539 30.910) 45.272 9.664 ( -1.288 -0.744 -0.215) 1.503 9.810 ( 9.817 5.668 2.558) 11.621 10.575 ( -1.280 -0.739 0.137) 1.484 11.611 ( 36.148 20.870 -52.931) 67.409 18.432 ( -7.759 -4.479 -1.371) 9.063 20.048 ( -30.184 -17.427 37.992) 51.557 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 10.928 6.310 23.408) 26.593 0.951 ( 16.736 9.663 4.749) 19.900 1.786 ( 31.916 18.427 9.951) 38.173 1.806 ( 8.123 4.690 -5.844) 11.051 2.158 ( 15.445 8.917 -12.539) 21.801 2.372 ( -0.365 -0.211 2.141) 2.182 3.073 ( 21.909 12.649 9.967) 27.191 3.493 ( -0.179 -0.104 -16.909) 16.910 4.051 ( 0.500 0.289 0.486) 0.755 4.183 ( -0.952 -0.550 -7.429) 7.510 4.525 ( -4.511 -2.605 12.960) 13.968 5.218 ( -12.006 -6.932 17.557) 22.371 9.621 ( -2.575 -1.487 -0.015) 2.973 10.091 ( 13.713 7.917 5.404) 16.731 10.537 ( -2.190 -1.265 -0.020) 2.529 11.941 ( 8.520 4.919 -29.941) 31.516 18.227 ( -9.693 -5.597 -3.738) 11.801 19.667 ( -14.448 -8.341 22.118) 27.704 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 11.461 6.617 16.145) 20.876 1.304 ( 14.206 8.202 1.764) 16.498 1.992 ( 9.010 5.202 -1.522) 10.515 2.369 ( 9.593 5.538 -7.722) 13.503 2.378 ( 0.931 0.538 -0.442) 1.163 2.441 ( 20.972 12.108 6.058) 24.962 3.434 ( 3.094 1.786 -11.006) 11.572 3.646 ( 19.424 11.214 13.225) 26.037 4.064 ( 0.528 0.305 0.739) 0.958 4.067 ( -8.279 -4.780 1.233) 9.639 4.550 ( 6.119 3.533 -1.790) 7.289 5.061 ( -4.270 -2.465 6.613) 8.249 9.553 ( -3.422 -1.976 0.152) 3.955 10.403 ( 12.376 7.145 6.722) 15.792 10.481 ( -2.752 -1.589 -0.149) 3.181 11.972 ( 0.561 0.324 -17.391) 17.403 18.004 ( -9.285 -5.361 -3.931) 11.419 19.439 ( -10.263 -5.926 11.666) 16.630 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 10.914 6.301 8.413) 15.153 1.583 ( 10.814 6.244 -0.584) 12.501 2.169 ( 5.672 3.275 5.604) 8.620 2.429 ( 4.895 2.826 -5.603) 7.958 2.438 ( 0.748 0.432 -7.405) 7.455 2.860 ( 13.708 7.914 8.267) 17.857 3.448 ( 1.013 0.585 -8.397) 8.478 3.855 ( -10.163 -5.868 3.516) 12.251 3.994 ( 5.385 3.109 14.814) 16.066 4.076 ( 0.413 0.238 0.891) 1.010 4.774 ( 14.198 8.197 -5.648) 17.341 5.130 ( 11.134 6.428 -0.960) 12.892 9.474 ( -3.675 -2.122 0.266) 4.251 10.417 ( -2.862 -1.652 -0.233) 3.312 10.651 ( 8.463 4.886 6.404) 11.684 11.912 ( -2.507 -1.448 -10.543) 10.933 17.809 ( -7.358 -4.248 -2.908) 8.980 19.260 ( -7.824 -4.517 5.688) 10.675 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 9.471 5.468 0.703) 10.958 1.780 ( 7.361 4.250 -2.543) 8.872 2.256 ( 1.090 0.629 8.907) 8.995 2.406 ( -1.976 -1.141 -1.867) 2.948 2.570 ( 8.374 4.835 -7.077) 11.982 3.096 ( 6.148 3.550 7.010) 9.977 3.446 ( 0.622 0.359 -5.345) 5.393 3.635 ( -9.892 -5.711 1.135) 11.479 3.996 ( -5.352 -3.090 7.974) 10.089 4.085 ( 0.138 0.080 0.911) 0.925 5.115 ( 16.329 9.427 -2.523) 19.023 5.484 ( 18.282 10.555 -1.727) 21.181 9.397 ( -3.280 -1.894 0.309) 3.800 10.357 ( -2.478 -1.431 -0.259) 2.873 10.807 ( 4.480 2.587 5.248) 7.369 11.824 ( -3.386 -1.955 -6.448) 7.541 17.668 ( -4.934 -2.849 -1.597) 5.917 19.120 ( -5.610 -3.239 2.282) 6.868 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 7.350 4.244 -5.889) 10.330 1.901 ( 4.358 2.516 -3.981) 6.416 2.282 ( -0.381 -0.220 8.210) 8.222 2.364 ( -1.860 -1.074 5.125) 5.557 2.731 ( 6.920 3.995 -4.979) 9.414 3.176 ( 0.368 0.212 4.106) 4.128 3.405 ( -8.002 -4.620 2.707) 9.628 3.489 ( 1.520 0.878 -7.691) 7.889 3.876 ( -5.540 -3.199 2.679) 6.935 4.086 ( -0.185 -0.107 0.789) 0.818 5.440 ( 12.443 7.184 0.775) 14.389 5.847 ( 13.662 7.888 -1.130) 15.816 9.334 ( -2.307 -1.332 0.270) 2.678 10.310 ( -1.644 -0.949 -0.219) 1.911 10.883 ( 1.599 0.923 4.045) 4.447 11.743 ( -2.629 -1.518 -4.045) 5.057 17.582 ( -2.663 -1.538 -0.464) 3.110 19.023 ( -3.428 -1.979 0.377) 3.976 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 6.018 3.475 -9.622) 11.869 1.960 ( 1.977 1.142 -4.789) 5.305 2.280 ( -1.463 -0.844 7.208) 7.403 2.338 ( -2.975 -1.718 11.296) 11.807 2.839 ( 3.452 1.993 -3.084) 5.039 3.140 ( -3.909 -2.257 -3.254) 5.564 3.269 ( -2.521 -1.456 1.718) 3.380 3.527 ( 2.215 1.279 -5.491) 6.057 3.786 ( -2.833 -1.636 0.873) 3.386 4.081 ( -0.376 -0.217 0.511) 0.671 5.646 ( 5.310 3.066 3.387) 7.005 6.055 ( 5.005 2.890 -0.885) 5.847 9.298 ( -0.928 -0.536 0.151) 1.082 10.285 ( -0.497 -0.287 -0.118) 0.585 10.906 ( -0.133 -0.077 3.137) 3.140 11.697 ( -0.549 -0.317 -2.730) 2.803 17.545 ( -0.674 -0.389 0.317) 0.840 18.971 ( -1.293 -0.747 -0.635) 1.623 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.026 0.015 -4.833) 4.833 1.976 ( 7.037 4.063 -9.908) 12.814 2.248 ( -2.919 -1.685 5.848) 6.750 2.249 ( -8.279 -4.780 13.699) 16.705 2.866 ( -0.506 -0.292 -1.414) 1.530 3.053 ( -1.667 -0.962 -7.629) 7.868 3.276 ( 1.821 1.051 1.152) 2.397 3.553 ( 1.411 0.815 -5.041) 5.298 3.754 ( -0.238 -0.137 0.378) 0.467 4.073 ( -0.396 -0.229 0.090) 0.466 5.684 ( -2.839 -1.639 5.283) 6.217 6.057 ( -4.589 -2.650 -0.808) 5.360 9.295 ( 0.618 0.357 -0.025) 0.714 10.288 ( 0.747 0.431 0.026) 0.863 10.895 ( -1.457 -0.841 2.500) 3.013 11.710 ( 2.241 1.294 -1.989) 3.264 17.552 ( 1.227 0.708 0.710) 1.585 18.962 ( 0.729 0.421 -1.071) 1.362 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -2.220 -1.282 -3.571) 4.396 2.028 ( -12.715 -7.341 16.225) 21.881 2.147 ( 9.118 5.265 -11.979) 15.948 2.177 ( -4.440 -2.564 3.292) 6.093 2.814 ( -3.787 -2.187 0.285) 4.382 3.015 ( -1.307 -0.755 -6.011) 6.198 3.335 ( 3.302 1.907 -1.616) 4.141 3.574 ( 1.657 0.957 -3.758) 4.217 3.772 ( 1.559 0.900 -0.346) 1.833 4.064 ( -0.386 -0.223 -0.368) 0.578 5.551 ( -10.127 -5.847 6.275) 13.271 5.858 ( -12.811 -7.397 -0.587) 14.805 9.325 ( 2.058 1.188 -0.228) 2.387 10.317 ( 1.846 1.066 0.185) 2.140 10.850 ( -3.313 -1.913 2.045) 4.338 11.785 ( 4.806 2.775 -1.547) 5.761 17.604 ( 3.316 1.914 0.712) 3.894 18.997 ( 2.543 1.468 -1.034) 3.113 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -15.918 -9.190 12.540) 22.251 1.843 ( -6.277 -3.624 0.029) 7.249 2.073 ( -4.793 -2.767 -1.726) 5.797 2.358 ( 10.816 6.245 -6.769) 14.206 2.711 ( -5.496 -3.173 2.102) 6.685 2.927 ( -6.196 -3.577 -3.554) 7.988 3.400 ( 2.824 1.630 -6.023) 6.849 3.619 ( 2.957 1.707 -1.261) 3.639 3.803 ( 0.800 0.462 -0.396) 1.004 4.054 ( -0.402 -0.232 -0.708) 0.847 5.285 ( -14.574 -8.414 6.038) 17.879 5.518 ( -16.750 -9.671 0.205) 19.343 9.383 ( 3.136 1.810 -0.425) 3.646 10.368 ( 2.596 1.499 0.337) 3.017 10.751 ( -6.158 -3.556 1.835) 7.344 11.907 ( 6.309 3.643 -1.606) 7.460 17.705 ( 5.718 3.301 0.288) 6.608 19.068 ( 4.030 2.327 -0.396) 4.670 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -17.253 -9.961 9.789) 22.197 1.647 ( -11.788 -6.806 3.561) 14.069 1.964 ( -4.249 -2.453 -6.671) 8.281 2.553 ( 5.960 3.441 -2.449) 7.305 2.595 ( -5.333 -3.079 3.808) 7.240 2.715 ( -11.782 -6.802 -0.747) 13.625 3.388 ( -3.870 -2.235 -11.787) 12.606 3.669 ( 0.505 0.291 -3.128) 3.181 3.817 ( 2.063 1.191 5.758) 6.231 4.044 ( -0.367 -0.212 -0.845) 0.945 4.963 ( -14.835 -8.565 4.010) 17.592 5.184 ( -11.923 -6.884 2.215) 13.944 9.458 ( 3.663 2.115 -0.585) 4.270 10.430 ( 2.873 1.659 0.456) 3.349 10.580 ( -9.696 -5.598 1.983) 11.371 12.046 ( 6.386 3.687 -2.914) 7.929 17.859 ( 8.161 4.712 -0.645) 9.446 19.171 ( 5.093 2.941 1.404) 6.046 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -0.000 10.636 33.308) 34.965 0.628 ( -0.000 19.651 12.710) 23.403 1.023 ( -0.000 37.897 16.288) 41.249 1.577 ( 0.000 2.059 -11.508) 11.691 1.849 ( 0.000 24.455 -10.821) 26.742 2.444 ( -0.000 1.857 4.684) 5.039 2.532 ( 0.000 8.356 2.913) 8.849 3.515 ( 0.000 -3.317 -20.130) 20.402 4.027 ( 0.000 -0.174 -0.264) 0.316 4.154 ( 0.000 7.974 -9.197) 12.173 4.679 ( -0.000 -7.945 24.110) 25.385 5.644 ( -0.000 -32.219 26.609) 41.786 9.653 ( -0.000 -1.961 -0.591) 2.048 9.812 ( 0.000 11.295 2.713) 11.617 10.584 ( -0.000 -1.105 0.428) 1.186 11.497 ( 0.000 43.422 -47.820) 64.593 18.430 ( -0.000 -9.293 -1.078) 9.355 20.135 ( -0.000 -34.937 33.183) 48.184 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 4.822 11.419 30.650) 33.062 0.930 ( 8.026 20.926 8.303) 23.901 1.590 ( 19.364 30.104 11.538) 37.608 1.694 ( 11.072 5.192 -10.141) 15.887 2.109 ( 4.225 23.884 -12.611) 27.337 2.422 ( -3.229 2.643 3.844) 5.674 2.822 ( 19.558 8.059 7.604) 22.479 3.443 ( 0.047 -1.338 -18.334) 18.383 4.039 ( 1.365 0.121 -0.102) 1.374 4.190 ( -0.876 3.928 -8.360) 9.279 4.604 ( -4.587 -6.792 15.518) 17.549 5.361 ( -9.931 -14.451 20.379) 26.884 9.630 ( -0.449 -2.403 -0.424) 2.481 10.013 ( 7.916 12.910 5.213) 16.016 10.559 ( -1.478 -1.304 0.255) 1.987 11.797 ( 8.377 15.429 -34.804) 38.981 18.278 ( -5.664 -9.684 -2.854) 11.576 19.822 ( -10.795 -18.392 24.788) 32.699 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 5.985 10.872 24.111) 27.118 1.285 ( 7.819 20.870 4.493) 22.735 1.927 ( 11.026 10.040 -7.562) 16.720 2.217 ( 20.677 19.397 8.714) 29.661 2.330 ( 4.122 13.898 -9.657) 17.419 2.409 ( -2.372 2.634 2.206) 4.175 3.299 ( 21.847 6.241 6.626) 23.667 3.426 ( 5.526 0.766 -11.142) 12.460 4.070 ( 1.106 0.751 0.047) 1.337 4.144 ( -4.588 -0.742 -1.630) 4.925 4.539 ( -0.829 1.406 3.621) 3.972 5.148 ( -7.849 -6.874 11.265) 15.355 9.587 ( -2.145 -1.796 -0.200) 2.805 10.302 ( 10.421 10.206 7.132) 16.236 10.516 ( -2.302 -0.877 0.138) 2.468 11.903 ( 3.020 3.082 -21.798) 22.221 18.070 ( -7.366 -8.365 -3.801) 11.776 19.560 ( -9.658 -11.159 14.563) 20.733 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 6.323 9.392 15.908) 19.526 1.595 ( 4.827 19.944 1.548) 20.578 2.192 ( 7.381 14.203 -2.537) 16.206 2.398 ( 0.424 1.401 -9.053) 9.171 2.411 ( -0.422 5.187 -0.465) 5.225 2.723 ( 15.972 11.552 9.404) 21.840 3.413 ( 1.786 1.899 -9.911) 10.248 3.751 ( 18.430 -5.042 7.960) 20.699 3.957 ( -7.769 -6.800 0.636) 10.344 4.173 ( 0.350 7.609 6.741) 10.172 4.647 ( 8.082 8.214 -3.886) 12.161 5.065 ( 1.644 1.543 2.024) 3.030 9.527 ( -3.553 -0.653 -0.016) 3.613 10.456 ( -2.451 -0.514 0.227) 2.515 10.571 ( 8.380 6.027 7.092) 12.524 11.884 ( -0.150 -2.032 -13.506) 13.659 17.870 ( -6.776 -6.386 -3.257) 9.864 19.350 ( -7.917 -7.857 7.568) 13.479 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 6.119 7.091 7.366) 11.916 1.831 ( 1.200 18.627 -1.104) 18.698 2.322 ( -1.157 -0.570 2.283) 2.622 2.425 ( -3.099 8.101 -0.406) 8.683 2.503 ( 7.736 10.083 -7.417) 14.715 3.032 ( 8.962 5.872 7.837) 13.275 3.424 ( 0.627 0.660 -6.773) 6.834 3.733 ( -8.624 -7.714 1.202) 11.633 3.908 ( 6.509 -8.325 3.964) 11.287 4.209 ( -5.707 4.590 6.346) 9.690 4.925 ( 15.282 9.096 -2.653) 17.981 5.283 ( 15.883 9.548 -1.694) 18.609 9.461 ( -4.402 0.770 0.115) 4.471 10.404 ( -3.386 0.471 -0.114) 3.421 10.747 ( 6.156 1.557 6.271) 8.925 11.811 ( -1.334 -4.550 -8.335) 9.589 17.714 ( -5.081 -4.291 -2.030) 6.953 19.182 ( -6.000 -5.619 3.326) 8.868 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 5.479 4.320 -0.581) 7.001 1.985 ( -2.294 16.412 -3.264) 16.890 2.282 ( 0.736 -5.612 2.096) 6.035 2.448 ( -3.990 8.440 5.513) 10.842 2.714 ( 4.398 13.355 -4.770) 14.848 3.174 ( 2.193 1.392 5.644) 6.213 3.435 ( 1.778 1.035 -4.332) 4.796 3.515 ( -8.865 -6.728 -0.879) 11.164 3.892 ( -0.165 -6.083 1.726) 6.325 4.155 ( -5.480 3.922 1.981) 7.024 5.268 ( 15.787 6.506 0.725) 17.090 5.657 ( 17.078 7.664 -1.356) 18.768 9.400 ( -4.558 2.226 0.178) 5.076 10.357 ( -3.367 1.618 -0.163) 3.739 10.840 ( 3.892 -1.909 4.950) 6.579 11.725 ( -0.935 -5.522 -5.232) 7.665 17.610 ( -3.140 -2.503 -0.795) 4.093 19.059 ( -3.973 -3.804 0.893) 5.573 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 5.096 1.933 -6.986) 8.861 2.055 ( -4.054 11.059 -2.613) 12.065 2.262 ( 0.929 -3.466 3.894) 5.295 2.481 ( -4.553 9.449 8.596) 13.561 2.865 ( 0.459 11.053 -2.742) 11.397 3.176 ( -2.764 -1.544 0.900) 3.291 3.318 ( -6.083 -4.037 -0.242) 7.305 3.485 ( 2.720 1.502 -5.120) 5.989 3.827 ( -2.899 -1.101 -0.259) 3.112 4.121 ( -3.195 2.866 0.844) 4.374 5.543 ( 10.898 2.262 3.349) 11.623 5.942 ( 10.977 2.344 -1.113) 11.279 9.356 ( -3.990 3.512 0.153) 5.317 10.325 ( -2.796 2.662 -0.135) 3.863 10.873 ( 2.529 -4.012 3.913) 6.148 11.660 ( 0.823 -5.203 -3.541) 6.347 17.555 ( -1.315 -1.134 0.122) 1.741 18.982 ( -1.905 -2.238 -0.419) 2.969 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 6.132 0.930 -11.008) 12.635 2.064 ( -3.477 4.551 1.778) 5.997 2.245 ( -2.482 0.409 1.961) 3.189 2.497 ( -8.524 9.480 12.175) 17.628 2.920 ( -2.912 5.966 -2.235) 7.005 3.080 ( -4.209 -0.024 -5.868) 7.221 3.267 ( 0.323 0.252 0.910) 0.998 3.519 ( 1.640 0.522 -4.796) 5.096 3.785 ( -2.513 1.967 -0.825) 3.297 4.102 ( -2.181 2.083 0.444) 3.048 5.673 ( 3.354 -2.317 5.229) 6.630 6.045 ( 2.177 -3.542 -1.181) 4.322 9.338 ( -2.830 4.509 0.054) 5.324 10.316 ( -1.810 3.459 -0.050) 3.904 10.872 ( 1.636 -5.001 3.236) 6.177 11.644 ( 3.512 -3.870 -2.685) 5.876 17.543 ( 0.437 -0.082 0.618) 0.762 18.950 ( 0.133 -0.872 -1.007) 1.339 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 4.445 -0.078 -8.784) 9.845 2.042 ( -0.151 -3.358 6.946) 7.717 2.200 ( -6.394 7.805 -4.408) 11.011 2.414 ( -14.358 7.797 11.208) 19.814 2.903 ( -3.875 4.187 -2.133) 6.091 3.030 ( -2.869 2.493 -5.121) 6.378 3.300 ( 2.355 1.172 -0.294) 2.647 3.533 ( 1.706 -0.611 -4.596) 4.940 3.775 ( -0.923 2.143 -0.595) 2.407 4.090 ( -1.707 2.050 -0.080) 2.668 5.633 ( -4.738 -6.265 6.256) 10.042 5.942 ( -6.745 -8.654 -1.317) 11.051 9.349 ( -1.372 5.110 -0.082) 5.292 10.331 ( -0.640 3.844 0.059) 3.897 10.846 ( 0.272 -5.402 2.806) 6.093 11.691 ( 6.308 -2.051 -2.265) 7.009 17.571 ( 2.354 0.824 0.674) 2.584 18.964 ( 2.066 0.281 -1.040) 2.330 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -7.817 -9.553 8.392) 14.927 2.043 ( -5.292 4.864 -1.348) 7.313 2.236 ( -0.280 8.205 -3.963) 9.116 2.261 ( -8.852 7.309 0.734) 11.503 2.845 ( -8.554 5.194 0.883) 10.047 2.978 ( -4.076 -0.718 -3.291) 5.287 3.353 ( 2.774 0.884 -3.127) 4.273 3.558 ( 3.672 -1.039 -2.974) 4.838 3.785 ( 0.627 0.112 0.156) 0.656 4.084 ( -1.617 2.644 -0.574) 3.152 5.437 ( -11.453 -8.653 6.229) 15.648 5.669 ( -13.268 -11.437 -1.225) 17.560 9.388 ( 0.079 5.150 -0.228) 5.155 10.367 ( 0.503 3.678 0.173) 3.716 10.785 ( -2.304 -5.619 2.618) 6.613 11.797 ( 8.213 -0.402 -2.316) 8.542 17.642 ( 4.654 1.691 0.273) 4.959 19.018 ( 3.809 1.173 -0.468) 4.013 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -13.498 -10.589 9.842) 19.779 1.918 ( -16.961 7.263 2.100) 18.570 2.109 ( -10.168 6.371 -2.841) 12.331 2.439 ( 9.359 4.645 -5.756) 11.929 2.740 ( -9.649 5.389 2.855) 11.415 2.840 ( -9.518 -4.115 -0.974) 10.415 3.370 ( 0.134 -1.864 -7.016) 7.261 3.613 ( 4.127 -1.923 -1.609) 4.829 3.797 ( 1.714 -1.086 3.282) 3.858 4.082 ( -2.042 3.177 -0.694) 3.840 5.138 ( -14.960 -9.237 4.683) 18.195 5.325 ( -13.743 -9.656 -0.261) 16.799 9.446 ( 1.327 4.540 -0.365) 4.744 10.416 ( 1.438 2.924 0.290) 3.272 10.668 ( -6.172 -5.653 2.782) 8.820 11.934 ( 8.577 0.587 -3.394) 9.243 17.761 ( 7.305 2.445 -0.634) 7.729 19.109 ( 5.306 1.739 1.070) 5.685 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -0.000 14.846 30.931) 34.310 1.074 ( -0.000 20.621 9.773) 22.820 1.591 ( 0.000 4.932 -11.236) 12.270 1.791 ( 0.000 33.701 10.846) 35.403 2.300 ( 0.000 23.708 -16.884) 29.105 2.503 ( -0.000 2.284 3.129) 3.874 2.758 ( -0.000 13.781 12.496) 18.603 3.392 ( 0.000 0.248 -17.425) 17.427 4.025 ( 0.000 0.115 0.015) 0.116 4.218 ( 0.000 2.089 -5.953) 6.309 4.609 ( -0.000 -5.372 10.539) 11.830 5.343 ( -0.000 -14.411 17.321) 22.532 9.600 ( -0.000 -3.235 -0.406) 3.260 10.109 ( 0.000 16.348 6.113) 17.453 10.553 ( -0.000 -2.322 0.282) 2.339 11.808 ( 0.000 13.911 -30.065) 33.127 18.213 ( -0.000 -11.500 -3.080) 11.906 19.773 ( -0.000 -19.675 20.737) 28.585 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 1.104 14.558 26.717) 30.446 1.376 ( 8.252 20.785 7.901) 23.717 1.751 ( 13.946 6.514 -9.755) 18.223 2.191 ( 9.579 24.290 8.263) 27.387 2.425 ( -0.807 11.692 -15.178) 19.176 2.523 ( -1.936 7.023 3.133) 7.930 3.062 ( 13.422 12.466 12.036) 21.919 3.376 ( 0.832 3.211 -14.353) 14.731 4.045 ( 1.772 0.206 -0.064) 1.785 4.185 ( -2.169 -2.728 -0.667) 3.548 4.593 ( -1.485 3.828 2.701) 4.915 5.210 ( -5.166 -9.232 11.156) 15.374 9.574 ( 0.583 -3.186 -0.275) 3.251 10.317 ( 4.075 14.432 7.529) 16.780 10.526 ( -0.456 -2.171 0.178) 2.225 11.856 ( 1.094 5.456 -21.968) 22.662 18.063 ( -3.729 -10.466 -3.557) 11.666 19.595 ( -5.254 -15.087 14.106) 21.312 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 1.390 12.648 20.149) 23.830 1.728 ( 6.645 21.735 4.702) 23.209 2.065 ( 16.247 7.403 -7.037) 19.191 2.390 ( -0.508 0.871 -13.107) 13.146 2.581 ( -2.479 13.219 3.575) 13.916 2.634 ( 10.899 15.319 8.010) 20.435 3.372 ( 7.169 2.293 -4.102) 8.572 3.439 ( 10.378 1.864 1.469) 10.646 3.996 ( -4.916 -6.673 -0.924) 8.340 4.199 ( 4.345 2.978 6.890) 8.673 4.666 ( 0.838 12.162 -2.684) 12.483 5.090 ( -3.153 -1.792 3.597) 5.108 9.553 ( -0.332 -1.665 -0.193) 1.709 10.478 ( -0.208 0.753 1.583) 1.765 10.547 ( 4.113 7.122 6.365) 10.399 11.838 ( -0.522 -0.853 -14.776) 14.809 17.891 ( -4.872 -8.125 -3.239) 10.012 19.397 ( -6.209 -11.034 8.126) 15.044 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 1.239 10.126 12.550) 16.174 2.016 ( 2.216 21.164 1.379) 21.324 2.267 ( 1.490 -4.423 -6.533) 8.029 2.415 ( 9.083 5.695 -7.166) 12.895 2.675 ( -4.405 19.707 2.201) 20.313 2.958 ( 10.066 8.397 8.885) 15.836 3.414 ( 0.042 2.249 -6.770) 7.134 3.626 ( 11.858 -9.165 2.002) 15.120 3.827 ( -5.861 -6.565 0.596) 8.821 4.312 ( 1.067 2.096 9.178) 9.474 4.828 ( 5.762 12.369 -4.019) 14.225 5.161 ( 8.322 8.220 -1.080) 11.747 9.530 ( -1.961 0.910 -0.103) 2.164 10.458 ( -1.890 0.600 0.077) 1.984 10.690 ( 4.074 2.678 6.822) 8.385 11.762 ( -1.461 -5.038 -9.487) 10.841 17.740 ( -4.346 -5.562 -2.230) 7.402 19.222 ( -5.478 -7.963 3.941) 10.438 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.809 7.215 4.650) 8.622 2.181 ( 0.601 -9.262 -3.725) 10.001 2.217 ( -2.212 20.253 -1.284) 20.414 2.577 ( 2.456 6.953 1.580) 7.541 2.837 ( -0.900 20.989 -0.820) 21.024 3.156 ( 4.445 3.278 6.936) 8.866 3.412 ( 0.440 1.189 -5.377) 5.524 3.570 ( -5.557 -9.238 -0.544) 10.794 3.792 ( 5.404 -3.619 0.520) 6.525 4.307 ( -5.518 3.777 4.266) 7.932 5.083 ( 12.854 7.754 -0.422) 15.018 5.454 ( 15.001 8.385 -1.315) 17.236 9.505 ( -3.623 3.795 -0.007) 5.247 10.434 ( -2.819 2.661 -0.057) 3.877 10.763 ( 3.214 -2.843 5.454) 6.940 11.659 ( -0.997 -7.670 -6.002) 9.790 17.632 ( -3.097 -3.381 -1.065) 4.706 19.084 ( -4.059 -5.551 1.364) 7.011 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.610 4.309 -2.945) 5.255 2.106 ( 1.381 -9.096 2.883) 9.641 2.341 ( -3.761 16.917 -3.716) 17.724 2.665 ( -2.121 10.294 5.451) 11.840 2.994 ( -1.223 14.292 -1.168) 14.391 3.204 ( -1.023 -0.469 3.728) 3.894 3.377 ( -6.624 -5.897 -3.098) 9.394 3.448 ( 2.276 2.014 -2.619) 4.011 3.845 ( 1.455 2.570 -1.566) 3.343 4.255 ( -6.921 6.289 1.393) 9.454 5.360 ( 13.467 2.036 2.934) 13.933 5.751 ( 13.557 2.582 -1.210) 13.853 9.483 ( -4.836 6.317 0.040) 7.955 10.416 ( -3.457 4.551 -0.104) 5.716 10.779 ( 3.126 -6.685 4.299) 8.541 11.565 ( 0.936 -8.766 -3.998) 9.680 17.566 ( -1.682 -1.782 -0.124) 2.454 18.988 ( -2.336 -3.588 -0.086) 4.282 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 1.924 2.300 -9.369) 9.837 2.062 ( 1.794 -8.969 8.908) 12.768 2.403 ( -5.757 14.947 -4.897) 16.749 2.738 ( -4.000 11.850 8.155) 14.931 3.035 ( -5.194 3.211 -1.238) 6.230 3.152 ( -3.572 1.528 -0.485) 3.915 3.277 ( -1.303 0.499 -2.005) 2.443 3.493 ( 1.465 1.247 -2.866) 3.452 3.879 ( -3.286 8.588 -3.339) 9.782 4.206 ( -6.301 5.907 0.959) 8.690 5.556 ( 8.894 -2.929 5.210) 10.716 5.921 ( 7.517 -3.928 -1.549) 8.622 9.468 ( -5.196 7.944 0.002) 9.492 10.407 ( -3.513 5.776 -0.072) 6.761 10.768 ( 3.527 -8.534 3.574) 9.901 11.514 ( 3.985 -8.224 -3.005) 9.620 17.539 ( -0.249 -0.698 0.434) 0.859 18.937 ( -0.485 -1.969 -0.782) 2.173 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 5.171 1.593 -12.372) 13.504 2.020 ( -0.043 -8.662 12.132) 14.907 2.420 ( -7.212 14.084 -5.268) 16.677 2.756 ( -11.773 9.870 11.939) 19.457 2.949 ( -1.535 0.804 -6.035) 6.279 3.147 ( -3.029 5.870 -0.295) 6.612 3.284 ( 0.680 1.709 -1.284) 2.243 3.503 ( 0.047 -0.087 -3.363) 3.364 3.874 ( -6.559 8.664 -3.440) 11.398 4.170 ( -4.395 4.950 0.673) 6.654 5.613 ( 1.618 -6.504 6.486) 9.327 5.911 ( -0.482 -9.312 -2.153) 9.570 9.465 ( -4.573 8.362 -0.065) 9.531 10.410 ( -2.987 6.034 -0.013) 6.732 10.752 ( 3.496 -8.698 3.151) 9.890 11.531 ( 7.299 -6.263 -2.558) 9.952 17.546 ( 1.321 0.042 0.571) 1.439 18.930 ( 1.384 -0.668 -0.923) 1.792 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -0.510 -4.889 0.890) 4.996 1.992 ( 4.961 -1.222 0.346) 5.121 2.417 ( -7.233 13.379 -5.505) 16.175 2.604 ( -16.636 6.281 7.535) 19.313 2.967 ( -0.468 3.344 -1.309) 3.621 3.131 ( -7.786 8.716 0.231) 11.689 3.316 ( 1.585 0.917 -1.672) 2.480 3.488 ( 1.014 -1.947 -3.307) 3.970 3.821 ( -5.106 2.886 -1.803) 6.136 4.158 ( -3.170 5.165 -0.061) 6.060 5.518 ( -6.074 -8.391 6.652) 12.311 5.728 ( -7.878 -11.805 -2.784) 14.463 9.476 ( -3.262 7.480 -0.113) 8.161 10.423 ( -2.015 5.194 0.030) 5.571 10.729 ( 2.082 -7.655 2.970) 8.471 11.621 ( 9.755 -3.678 -2.536) 10.730 17.587 ( 3.230 0.571 0.278) 3.292 18.965 ( 3.182 0.286 -0.536) 3.239 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -9.655 -8.034 8.586) 15.215 2.129 ( 5.758 5.106 -5.667) 9.558 2.379 ( -16.577 3.317 4.437) 17.479 2.425 ( -4.792 11.014 -4.824) 12.944 2.938 ( -5.677 0.056 0.892) 5.747 3.046 ( -14.533 11.424 1.501) 18.546 3.327 ( 1.130 -2.015 -3.850) 4.490 3.510 ( 4.693 -2.503 -0.750) 5.371 3.773 ( -0.669 -1.344 0.182) 1.513 4.158 ( -2.734 4.798 0.057) 5.522 5.291 ( -12.268 -9.332 4.879) 16.168 5.445 ( -11.961 -9.088 -2.513) 15.231 9.497 ( -1.620 5.473 -0.164) 5.710 10.442 ( -0.765 3.469 0.093) 3.553 10.682 ( -1.136 -5.734 3.143) 6.637 11.761 ( 10.531 -1.484 -3.291) 11.132 17.667 ( 5.576 0.885 -0.465) 5.665 19.038 ( 4.855 0.823 0.550) 4.954 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.000 16.446 25.024) 29.945 1.487 ( -0.000 16.512 7.978) 18.338 1.663 ( 0.000 8.398 -8.189) 11.729 2.338 ( 0.000 14.269 -1.880) 14.392 2.502 ( 0.000 11.072 -7.035) 13.118 2.558 ( 0.000 2.550 0.146) 2.554 3.169 ( -0.000 16.731 12.890) 21.121 3.389 ( 0.000 7.985 -11.042) 13.627 4.032 ( -0.000 0.502 0.600) 0.783 4.155 ( -0.000 -6.847 1.087) 6.933 4.678 ( 0.000 11.197 -0.332) 11.202 5.193 ( -0.000 -7.104 7.023) 9.989 9.529 ( -0.000 -3.902 -0.001) 3.902 10.453 ( -0.000 15.028 7.979) 17.015 10.500 ( -0.000 -3.211 -0.030) 3.211 11.849 ( 0.000 3.610 -18.490) 18.839 17.983 ( -0.000 -10.431 -3.418) 10.977 19.519 ( -0.000 -14.997 10.956) 18.573 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -1.876 14.727 19.418) 24.443 1.752 ( 12.461 11.829 2.900) 17.425 1.875 ( 11.882 12.722 -2.027) 17.526 2.351 ( -0.068 -3.210 -14.697) 15.044 2.640 ( 6.011 4.630 -1.899) 7.821 2.678 ( 3.713 15.854 7.707) 18.015 3.305 ( 1.455 4.663 4.466) 6.618 3.466 ( -1.337 10.108 -1.945) 10.380 4.003 ( -3.552 -5.217 -0.345) 6.321 4.139 ( 5.030 -1.427 5.235) 7.398 4.810 ( -0.739 17.772 -2.020) 17.902 5.134 ( -2.618 -0.640 1.357) 3.018 9.509 ( 1.848 -3.418 0.092) 3.887 10.472 ( 0.418 -2.672 -0.029) 2.704 10.612 ( 0.802 11.249 7.761) 13.690 11.818 ( -1.398 -0.175 -13.738) 13.810 17.861 ( -2.261 -8.624 -3.006) 9.409 19.379 ( -3.036 -12.468 7.076) 14.654 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -2.304 12.241 13.641) 18.472 2.060 ( 9.419 4.107 -2.422) 10.557 2.187 ( 10.697 10.933 -1.025) 15.330 2.301 ( 3.947 0.713 -9.644) 10.445 2.829 ( 7.148 10.989 -1.050) 13.151 2.920 ( 7.543 10.214 8.676) 15.378 3.370 ( 4.956 -1.620 -0.438) 5.232 3.483 ( -3.149 2.016 0.238) 3.747 3.861 ( -5.545 -6.285 -0.095) 8.382 4.257 ( 6.873 -1.162 7.998) 10.609 4.958 ( -2.825 18.518 -3.979) 19.150 5.155 ( 2.216 8.666 -1.325) 9.043 9.523 ( 2.403 -1.416 0.030) 2.790 10.464 ( 0.920 -1.240 -0.071) 1.546 10.716 ( -0.425 5.602 6.771) 8.799 11.733 ( -3.034 -3.906 -9.332) 10.562 17.739 ( -2.906 -6.164 -2.182) 7.155 19.226 ( -3.917 -9.483 3.828) 10.951 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -2.992 9.324 6.674) 11.851 2.052 ( 1.291 -10.406 -6.256) 12.210 2.406 ( 2.482 12.882 0.609) 13.133 2.519 ( 10.788 9.456 -2.073) 14.495 3.035 ( 2.145 13.952 0.928) 14.147 3.139 ( 4.739 7.290 7.532) 11.504 3.426 ( -2.534 -1.365 -2.525) 3.829 3.448 ( 7.930 -6.456 -2.234) 10.467 3.738 ( -2.175 -1.911 0.260) 2.907 4.357 ( 4.034 -0.372 6.585) 7.731 5.068 ( -0.280 14.028 -3.927) 14.570 5.348 ( 7.939 10.913 -0.668) 13.512 9.558 ( 1.384 1.941 -0.031) 2.384 10.476 ( 0.520 1.214 -0.071) 1.323 10.737 ( -1.350 -0.641 5.302) 5.508 11.606 ( -3.413 -7.137 -5.980) 9.917 17.641 ( -2.529 -3.901 -1.202) 4.801 19.092 ( -3.521 -6.790 1.605) 7.816 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -3.503 6.024 -1.051) 7.047 1.968 ( 2.602 -11.144 0.602) 11.459 2.538 ( -1.075 12.740 -0.727) 12.806 2.737 ( 4.899 8.661 1.446) 10.055 3.148 ( -2.403 8.705 0.178) 9.032 3.219 ( -0.391 0.012 4.943) 4.958 3.383 ( -0.317 -3.386 -4.535) 5.669 3.443 ( -0.538 -0.588 -0.122) 0.807 3.824 ( 6.605 8.358 -1.856) 10.813 4.420 ( -1.642 6.568 3.065) 7.432 5.210 ( 6.414 5.453 0.025) 8.419 5.578 ( 9.869 4.811 -0.676) 11.000 9.601 ( -0.896 6.047 -0.060) 6.114 10.499 ( -0.831 3.776 -0.118) 3.868 10.697 ( -0.577 -5.908 4.101) 7.215 11.467 ( -1.804 -9.662 -3.874) 10.565 17.575 ( -1.700 -2.200 -0.361) 2.804 18.990 ( -2.448 -4.528 0.268) 5.154 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -2.792 2.898 -8.197) 9.132 1.934 ( 3.979 -9.817 7.726) 13.111 2.616 ( -3.701 12.341 -1.767) 13.004 2.867 ( 1.339 7.408 2.687) 7.993 3.126 ( -3.904 -0.231 -0.340) 3.925 3.203 ( -1.680 -1.107 2.766) 3.420 3.317 ( -3.204 1.813 -2.787) 4.617 3.474 ( 1.905 1.041 -0.906) 2.353 4.011 ( 1.623 15.221 -3.891) 15.794 4.430 ( -8.495 11.586 1.041) 14.404 5.369 ( 10.056 -2.816 4.005) 11.185 5.741 ( 8.428 -2.881 -1.356) 9.009 9.638 ( -3.922 9.696 -0.135) 10.460 10.512 ( -1.739 3.078 -0.014) 3.535 10.645 ( 1.028 -6.587 3.344) 7.459 11.358 ( 2.028 -10.877 -2.844) 11.424 17.539 ( -0.703 -1.082 0.184) 1.304 18.926 ( -1.014 -2.678 -0.428) 2.895 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.541 1.200 -12.041) 12.112 1.936 ( 3.282 -7.984 11.391) 14.292 2.645 ( -5.702 11.229 -2.190) 12.783 2.945 ( 0.795 4.333 -1.396) 4.622 3.033 ( -7.813 1.725 4.985) 9.427 3.186 ( 0.202 -0.033 1.738) 1.750 3.302 ( -0.910 2.388 -2.443) 3.535 3.499 ( 0.563 0.384 -1.961) 2.076 4.122 ( -6.450 17.084 -5.701) 19.130 4.367 ( -11.278 10.089 1.654) 15.222 5.486 ( 7.509 -6.868 6.218) 11.925 5.784 ( 3.864 -8.778 -2.447) 9.898 9.651 ( -6.359 10.837 -0.223) 12.567 10.508 ( 0.115 -0.501 0.388) 0.644 10.620 ( 0.466 -3.276 2.681) 4.259 11.327 ( 7.031 -9.455 -2.431) 12.031 17.531 ( 0.441 -0.414 0.387) 0.718 18.903 ( 0.597 -1.225 -0.655) 1.512 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 4.632 -0.129 -8.624) 9.790 1.932 ( 1.256 -4.835 8.505) 9.863 2.633 ( -6.738 8.794 -2.124) 11.280 2.883 ( -8.941 1.060 -1.339) 9.103 3.021 ( -1.926 5.783 5.944) 8.513 3.211 ( 1.836 0.815 0.729) 2.137 3.317 ( 0.774 2.182 -1.297) 2.654 3.489 ( -1.475 0.118 -2.780) 3.149 4.058 ( -15.579 10.824 -4.935) 19.602 4.303 ( -6.900 7.994 1.855) 10.721 5.500 ( 0.733 -8.263 6.107) 10.301 5.697 ( -2.135 -9.764 -3.220) 10.500 9.635 ( -6.592 8.460 -0.189) 10.726 10.512 ( -0.681 1.646 0.190) 1.791 10.606 ( 2.050 -4.913 2.680) 5.960 11.399 ( 10.670 -5.495 -2.327) 12.225 17.548 ( 1.854 -0.055 0.240) 1.871 18.918 ( 2.262 -0.195 -0.479) 2.321 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -3.437 -5.103 5.391) 8.180 1.997 ( 8.717 2.354 -4.359) 10.026 2.577 ( -7.469 4.273 -1.693) 8.770 2.715 ( -13.342 2.793 0.879) 13.660 3.031 ( -3.657 2.532 4.167) 6.095 3.265 ( 3.202 0.464 -0.086) 3.237 3.348 ( -3.856 5.828 -1.674) 7.185 3.439 ( -1.382 -1.691 -0.508) 2.242 3.859 ( -12.199 1.948 -2.471) 12.599 4.274 ( -5.276 5.514 1.568) 7.791 5.372 ( -6.866 -9.360 2.058) 11.789 5.540 ( -7.615 -3.836 -1.452) 8.650 9.599 ( -4.857 4.204 -0.105) 6.424 10.503 ( -2.738 2.459 -0.062) 3.681 10.615 ( 3.456 -4.530 3.021) 6.449 11.550 ( 11.838 -1.683 -2.767) 12.273 17.594 ( 3.655 0.045 -0.262) 3.665 18.970 ( 3.898 0.349 0.159) 3.917 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.000 5.514 -2.845) 6.205 1.774 ( -0.000 15.438 15.168) 21.643 1.923 ( 0.000 16.000 5.477) 16.911 2.261 ( 0.000 -7.815 -14.535) 16.503 2.599 ( 0.000 2.569 -3.434) 4.289 2.811 ( -0.000 13.353 7.692) 15.410 3.337 ( 0.000 1.767 0.416) 1.815 3.582 ( -0.000 6.239 3.499) 7.153 4.026 ( -0.000 -6.797 4.476) 8.138 4.049 ( -0.000 0.798 1.137) 1.389 5.004 ( 0.000 21.512 -1.027) 21.537 5.175 ( 0.000 5.443 -3.012) 6.221 9.454 ( -0.000 -3.933 0.376) 3.951 10.433 ( -0.000 -3.540 -0.317) 3.554 10.737 ( -0.000 10.453 7.224) 12.707 11.798 ( 0.000 -1.222 -11.075) 11.142 17.793 ( -0.000 -7.660 -2.572) 8.080 19.300 ( -0.000 -11.694 5.107) 12.761 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 9.408 6.384 2.711) 11.689 1.901 ( 0.814 7.812 1.496) 7.996 2.099 ( 2.005 -1.248 -6.620) 7.029 2.247 ( 8.598 9.502 3.486) 13.280 2.701 ( 10.261 3.573 -4.937) 11.934 2.960 ( 2.239 9.473 8.495) 12.920 3.341 ( -0.229 -0.353 -0.128) 0.440 3.576 ( -3.905 -0.797 2.656) 4.789 3.903 ( -5.717 -4.652 1.843) 7.598 4.140 ( 6.605 -1.860 4.738) 8.339 5.202 ( -2.737 22.264 -2.642) 22.587 5.235 ( -0.388 11.903 -3.395) 12.384 9.446 ( 3.177 -3.180 0.376) 4.511 10.415 ( 1.856 -2.915 -0.329) 3.472 10.822 ( -2.198 6.961 5.917) 9.396 11.732 ( -2.789 -3.123 -7.858) 8.904 17.711 ( -1.281 -5.814 -1.925) 6.257 19.190 ( -1.833 -9.594 3.108) 10.250 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -0.241 -6.228 -8.947) 10.904 1.972 ( -3.294 5.214 8.150) 10.220 2.255 ( 17.060 3.182 -3.830) 17.772 2.528 ( 7.172 13.359 3.574) 15.578 2.975 ( 16.078 5.773 -4.587) 17.688 3.112 ( 5.727 5.419 8.867) 11.865 3.324 ( -0.388 -2.271 0.179) 2.311 3.484 ( -4.456 -2.661 0.267) 5.197 3.781 ( -4.424 -1.971 0.682) 4.891 4.243 ( 7.536 -2.737 5.128) 9.517 5.281 ( -5.851 17.032 -7.124) 19.367 5.402 ( 0.970 15.660 1.484) 15.760 9.498 ( 5.376 -1.182 0.226) 5.509 10.439 ( 3.443 -1.207 -0.229) 3.656 10.818 ( -5.104 2.361 4.239) 7.042 11.609 ( -5.235 -5.161 -4.944) 8.859 17.635 ( -1.638 -3.859 -1.191) 4.358 19.078 ( -2.440 -7.134 1.568) 7.701 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 2.070 -10.448 -4.712) 11.647 1.963 ( -6.239 6.190 3.932) 9.628 2.535 ( 11.699 4.099 -0.596) 12.411 2.743 ( 4.566 9.953 1.022) 10.998 3.175 ( 4.001 2.294 1.477) 4.843 3.262 ( -1.876 -6.073 -0.391) 6.368 3.311 ( 5.876 4.400 2.000) 7.609 3.431 ( 0.689 -0.961 -1.444) 1.866 3.792 ( 5.545 7.088 -0.150) 9.001 4.383 ( 9.629 0.427 4.527) 10.649 5.308 ( -6.483 12.769 -5.176) 15.227 5.548 ( 1.565 9.190 1.266) 9.408 9.598 ( 5.891 2.128 0.092) 6.264 10.500 ( 3.542 1.128 -0.139) 3.720 10.725 ( -6.425 -2.250 2.803) 7.363 11.443 ( -6.180 -7.210 -2.871) 9.920 17.578 ( -1.415 -2.272 -0.542) 2.731 18.984 ( -2.171 -4.826 0.563) 5.321 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 3.301 -8.535 -0.312) 9.157 1.907 ( -5.796 3.014 0.176) 6.535 2.716 ( 4.082 6.724 0.362) 7.874 2.873 ( 3.106 3.744 0.749) 4.922 3.165 ( -2.930 -3.121 -1.192) 4.443 3.209 ( -0.354 -0.460 0.784) 0.976 3.384 ( -1.368 2.324 0.569) 2.756 3.436 ( 2.455 -0.838 -0.561) 2.654 4.056 ( 10.052 14.177 -1.847) 17.477 4.578 ( 6.736 7.363 3.092) 10.448 5.291 ( -3.421 3.634 -1.625) 5.249 5.630 ( 2.272 0.869 0.322) 2.453 9.728 ( 4.181 6.882 -0.056) 8.053 10.509 ( -3.589 -5.415 0.701) 6.534 10.653 ( 0.695 2.819 1.336) 3.196 11.264 ( -4.500 -9.567 -1.852) 10.733 17.542 ( -0.894 -1.190 -0.085) 1.491 18.918 ( -1.340 -2.860 -0.012) 3.159 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.576 -3.942 -4.832) 6.262 1.864 ( -0.253 -1.126 4.505) 4.650 2.802 ( -2.107 7.486 0.494) 7.793 2.935 ( 2.497 0.408 -2.483) 3.545 3.111 ( -1.482 -0.611 1.560) 2.237 3.187 ( -0.850 -1.323 1.177) 1.964 3.362 ( -3.024 2.351 1.454) 4.097 3.473 ( 2.117 -0.322 -2.307) 3.148 4.307 ( 2.666 15.263 -2.898) 15.762 4.685 ( -8.106 12.800 0.570) 15.161 5.295 ( 6.165 -6.319 3.172) 9.380 5.643 ( 2.526 -5.763 -1.110) 6.390 9.848 ( -1.871 12.068 -0.387) 12.218 10.372 ( 0.551 -12.884 1.383) 12.969 10.727 ( -2.003 9.234 1.028) 9.505 11.129 ( 2.421 -11.539 -1.815) 11.929 17.525 ( -0.187 -0.557 0.144) 0.605 18.885 ( -0.163 -1.308 -0.273) 1.346 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 1.839 -0.685 -7.260) 7.520 1.884 ( 2.091 -2.235 6.799) 7.456 2.796 ( -5.338 4.432 0.204) 6.942 2.948 ( -1.130 1.159 -5.207) 5.452 3.102 ( -0.523 -0.301 5.559) 5.591 3.180 ( 1.183 -0.931 0.680) 1.651 3.347 ( -1.911 2.472 2.180) 3.810 3.486 ( 0.742 -0.339 -3.497) 3.591 4.388 ( -8.765 10.957 -5.491) 15.068 4.569 ( -15.147 7.657 3.395) 17.308 5.361 ( 7.224 -8.345 3.121) 11.470 5.619 ( 1.744 -4.654 -1.415) 5.168 9.851 ( -9.582 8.447 -0.490) 12.783 10.350 ( 9.202 -9.063 1.662) 13.022 10.714 ( -7.740 4.979 0.877) 9.244 11.159 ( 11.046 -5.392 -1.818) 12.425 17.526 ( 0.738 -0.260 0.138) 0.795 18.886 ( 1.205 -0.219 -0.279) 1.256 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 3.641 -0.508 -0.888) 3.782 1.915 ( 2.578 0.175 1.162) 2.833 2.718 ( -6.804 0.736 -0.315) 6.851 2.881 ( -6.732 -0.567 -2.586) 7.234 3.102 ( -0.924 -0.217 5.752) 5.830 3.207 ( 2.760 -0.964 -0.588) 2.982 3.363 ( 0.654 2.073 2.798) 3.543 3.473 ( -1.005 -0.112 -4.113) 4.236 4.169 ( -19.876 1.868 -4.257) 20.412 4.438 ( -8.573 1.701 4.802) 9.973 5.351 ( 0.075 -6.093 -1.580) 6.295 5.614 ( -1.868 2.608 0.590) 3.262 9.732 ( -8.346 0.223 -0.155) 8.351 10.465 ( 8.229 -0.775 1.607) 8.421 10.615 ( -5.817 -0.483 0.673) 5.876 11.336 ( 12.240 0.858 -1.947) 12.423 17.546 ( 1.968 -0.228 -0.111) 1.984 18.919 ( 2.643 0.341 -0.016) 2.665 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 3.840 -1.912) 4.289 1.895 ( 0.000 -9.007 -12.620) 15.504 2.214 ( -0.000 11.172 8.294) 13.915 2.231 ( -0.000 12.295 7.599) 14.454 2.624 ( 0.000 2.524 -6.571) 7.039 3.044 ( -0.000 6.913 8.797) 11.188 3.335 ( 0.000 -1.213 -0.880) 1.499 3.578 ( -0.000 -5.736 1.872) 6.034 3.920 ( -0.000 -7.629 5.018) 9.132 4.071 ( -0.000 0.777 1.234) 1.458 5.364 ( 0.000 15.238 -4.709) 15.949 5.437 ( 0.000 22.122 -1.621) 22.182 9.385 ( -0.000 -3.384 0.513) 3.422 10.366 ( -0.000 -3.172 -0.418) 3.199 10.919 ( -0.000 5.739 4.415) 7.241 11.712 ( 0.000 -3.252 -5.586) 6.464 17.666 ( -0.000 -4.689 -1.523) 4.930 19.123 ( -0.000 -8.400 2.176) 8.678 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.145 -11.426 -8.502) 14.243 1.931 ( 15.058 2.947 -1.329) 15.401 2.224 ( -6.665 9.843 5.419) 13.064 2.512 ( 9.533 11.233 5.049) 15.574 2.740 ( 12.679 3.725 -6.184) 14.591 3.127 ( 1.380 3.412 9.652) 10.330 3.316 ( -0.214 -1.579 -1.339) 2.081 3.497 ( -2.351 -6.516 0.512) 6.946 3.822 ( -3.251 -5.175 2.692) 6.678 4.124 ( 4.774 -1.038 2.227) 5.369 5.484 ( -2.231 15.361 -6.511) 16.833 5.608 ( -3.085 18.691 0.921) 18.966 9.393 ( 4.290 -2.536 0.405) 5.000 10.362 ( 2.978 -2.345 -0.336) 3.805 10.937 ( -4.163 3.138 2.577) 5.815 11.637 ( -3.775 -3.703 -3.161) 6.161 17.618 ( -0.721 -3.264 -1.067) 3.508 19.045 ( -1.145 -6.477 1.360) 6.717 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 1.487 -10.292 -2.285) 10.647 2.146 ( -4.206 6.604 1.809) 8.036 2.303 ( 15.361 2.735 -0.738) 15.620 2.740 ( 6.478 7.307 1.011) 9.817 3.030 ( 15.030 2.881 -3.623) 15.727 3.199 ( 2.586 -0.356 7.842) 8.265 3.299 ( 0.910 -1.726 -1.449) 2.430 3.412 ( -0.908 -2.416 -0.442) 2.619 3.773 ( 1.369 -0.032 1.936) 2.371 4.222 ( 8.312 -1.296 2.631) 8.814 5.538 ( -5.996 12.967 -7.314) 16.049 5.695 ( -4.973 12.361 2.852) 13.626 9.479 ( 7.884 -0.926 0.247) 7.942 10.418 ( 5.561 -0.820 -0.197) 5.624 10.852 ( -8.284 0.164 0.900) 8.334 11.502 ( -7.176 -4.084 -1.187) 8.342 17.576 ( -0.956 -1.960 -0.651) 2.276 18.972 ( -1.563 -4.382 0.776) 4.717 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 3.294 -7.387 3.796) 8.935 2.069 ( -8.872 3.975 -3.028) 10.182 2.595 ( 14.333 2.272 0.238) 14.514 2.866 ( 2.541 2.330 1.945) 3.958 3.154 ( 1.321 -1.254 -2.525) 3.114 3.221 ( -0.729 0.153 1.079) 1.311 3.330 ( 6.018 -2.541 -1.678) 6.744 3.431 ( 0.421 1.309 1.529) 2.056 3.944 ( 14.221 7.022 1.591) 15.940 4.406 ( 14.167 -0.272 2.645) 14.415 5.492 ( -10.198 8.930 -6.420) 14.999 5.694 ( -5.585 4.571 3.022) 7.824 9.634 ( 10.293 1.373 0.179) 10.386 10.513 ( 4.051 0.234 -0.092) 4.059 10.691 ( -7.854 -1.700 -0.204) 8.039 11.320 ( -9.456 -4.365 -0.004) 10.415 17.546 ( -0.869 -0.988 -0.326) 1.356 18.916 ( -1.386 -2.463 0.392) 2.853 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 3.595 -4.305 5.558) 7.896 1.944 ( -7.254 1.749 -4.904) 8.929 2.809 ( 8.810 2.526 -0.240) 9.168 2.896 ( 0.153 -0.385 2.141) 2.180 3.133 ( -1.730 0.144 -1.269) 2.151 3.197 ( -1.457 -0.791 -0.200) 1.670 3.403 ( 4.438 -0.960 -3.038) 5.463 3.429 ( -1.714 0.925 2.740) 3.362 4.280 ( 14.020 8.355 0.792) 16.340 4.675 ( 15.609 0.140 1.823) 15.716 5.347 ( -12.436 3.631 -3.664) 13.464 5.624 ( -4.437 -1.512 1.489) 4.919 9.843 ( 11.433 4.107 0.201) 12.150 10.386 ( -12.063 -5.195 -0.407) 13.140 10.738 ( 8.526 3.413 -0.318) 9.189 11.112 ( -10.318 -4.581 0.459) 11.299 17.527 ( -0.571 -0.382 -0.106) 0.695 18.882 ( -0.761 -0.904 0.144) 1.191 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 1.211 -1.136 0.103) 1.664 1.876 ( -1.247 0.850 -0.189) 1.521 2.880 ( -1.681 -1.403 0.780) 2.325 2.934 ( 3.327 2.423 -1.289) 4.313 3.104 ( -1.093 -0.522 0.583) 1.344 3.167 ( -0.831 -0.999 -0.009) 1.299 3.408 ( -1.880 0.797 3.382) 3.951 3.448 ( 2.163 -0.266 -3.435) 4.068 4.499 ( 3.352 3.763 0.096) 5.041 4.815 ( -2.459 -2.964 -0.034) 3.851 5.207 ( -1.055 -1.020 -0.002) 1.468 5.573 ( 0.426 0.454 0.000) 0.623 10.085 ( 8.872 9.467 0.051) 12.975 10.118 ( -9.670 -10.341 -0.055) 14.158 10.898 ( -7.277 -7.975 0.030) 10.796 10.943 ( 7.922 8.681 -0.026) 11.752 17.519 ( -0.082 -0.091 0.000) 0.123 18.874 ( 0.173 0.191 -0.000) 0.258 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 2.775 1.709 -1.205) 3.474 1.893 ( 1.236 0.758 1.229) 1.901 2.807 ( -4.782 -3.073 0.163) 5.687 2.947 ( -2.840 -0.742 -2.148) 3.637 3.098 ( 0.594 -1.114 2.871) 3.136 3.158 ( 1.263 -1.299 -0.415) 1.858 3.395 ( -1.234 0.166 3.291) 3.519 3.463 ( 0.680 0.575 -3.441) 3.554 4.430 ( -11.467 -3.536 -4.526) 12.825 4.583 ( -11.585 -11.009 5.624) 16.942 5.274 ( 4.996 2.271 -1.822) 5.782 5.652 ( 2.965 6.986 0.546) 7.609 9.857 ( -9.966 -8.050 -0.152) 12.812 10.333 ( 9.974 7.213 0.747) 12.331 10.705 ( -7.273 -5.935 0.285) 9.392 11.176 ( 10.218 7.462 -0.794) 12.677 17.523 ( 0.645 -0.057 -0.027) 0.648 18.891 ( 1.285 0.748 -0.026) 1.488 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 -10.391 -4.747) 11.424 1.813 ( 0.000 2.440 0.073) 2.441 2.443 ( -0.000 5.512 5.266) 7.623 2.489 ( 0.000 13.046 1.226) 13.103 2.648 ( 0.000 3.965 -5.763) 6.995 3.157 ( -0.000 -0.365 10.183) 10.190 3.292 ( 0.000 -2.873 -2.283) 3.670 3.452 ( -0.000 -5.887 -0.407) 5.901 3.795 ( -0.000 -6.375 3.218) 7.141 4.088 ( -0.000 0.376 0.764) 0.851 5.630 ( 0.000 13.659 -5.483) 14.718 5.806 ( 0.000 15.617 0.516) 15.626 9.332 ( -0.000 -2.357 0.359) 2.384 10.312 ( -0.000 -2.135 -0.292) 2.155 11.005 ( 0.000 2.139 0.671) 2.242 11.634 ( -0.000 -2.827 -1.115) 3.039 17.594 ( -0.000 -2.330 -0.886) 2.493 19.002 ( -0.000 -5.063 1.121) 5.185 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.419 -6.976 1.837) 7.225 1.976 ( 15.488 1.767 0.916) 15.615 2.385 ( -8.113 4.704 -0.398) 9.387 2.685 ( 6.951 6.629 -3.225) 10.132 2.815 ( 13.329 5.874 -0.408) 14.571 3.157 ( 1.703 -6.744 6.378) 9.438 3.257 ( -0.051 -2.511 -1.489) 2.920 3.408 ( -0.528 -1.124 0.481) 1.332 3.750 ( 0.145 -3.223 2.938) 4.363 4.120 ( 3.548 -0.367 0.732) 3.642 5.708 ( -3.021 10.128 -5.689) 12.003 5.899 ( -4.270 10.434 1.551) 11.380 9.355 ( 4.988 -1.514 0.204) 5.217 10.326 ( 3.696 -1.234 -0.163) 3.900 10.974 ( -5.237 0.504 -1.018) 5.358 11.573 ( -4.450 -1.994 0.638) 4.918 17.570 ( -0.458 -1.334 -0.690) 1.570 18.957 ( -0.783 -3.296 0.912) 3.508 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 1.514 -2.858 7.397) 8.073 2.222 ( -2.103 1.728 -3.736) 4.623 2.344 ( 12.222 1.379 0.502) 12.310 2.833 ( 4.610 3.125 0.157) 5.572 3.064 ( 8.890 0.992 -2.595) 9.314 3.160 ( 8.274 -6.297 -1.967) 10.582 3.240 ( -0.746 0.146 0.991) 1.249 3.426 ( 1.705 1.283 2.534) 3.312 3.792 ( 7.478 0.510 3.807) 8.406 4.209 ( 8.260 -1.114 0.508) 8.350 5.693 ( -6.547 6.190 -6.404) 11.053 5.871 ( -8.021 4.055 3.022) 9.482 9.466 ( 9.338 -0.465 0.118) 9.350 10.407 ( 6.752 -0.206 -0.058) 6.755 10.840 ( -9.795 -0.903 -2.101) 10.058 11.454 ( -8.469 -0.890 1.704) 8.684 17.551 ( -0.691 -0.478 -0.492) 0.974 18.919 ( -1.140 -1.547 0.714) 2.050 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 2.236 0.576 9.595) 9.869 2.078 ( -9.066 -0.410 -7.598) 11.836 2.623 ( 14.500 0.371 0.978) 14.538 2.889 ( 1.173 -0.513 3.860) 4.067 3.137 ( 2.714 -0.113 -5.737) 6.348 3.208 ( -0.076 -1.164 -1.550) 1.940 3.286 ( 6.073 0.030 -0.582) 6.101 3.459 ( 0.002 0.318 2.878) 2.896 4.047 ( 18.422 1.585 4.572) 19.046 4.383 ( 14.536 -2.682 -0.649) 14.796 5.580 ( -10.554 3.168 -6.555) 12.821 5.739 ( -9.214 -1.762 3.901) 10.160 9.648 ( 12.370 -0.074 0.193) 12.372 10.512 ( 1.583 -0.020 -0.227) 1.599 10.659 ( -5.608 -1.122 -2.391) 6.199 11.292 ( -11.180 1.134 2.109) 11.434 17.536 ( -0.753 0.131 -0.293) 0.819 18.894 ( -1.087 -0.073 0.495) 1.196 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.932 2.342 6.430) 6.906 1.931 ( -5.132 -0.177 -5.850) 7.784 2.798 ( 7.126 -2.715 -0.478) 7.641 2.915 ( 1.905 -0.094 3.826) 4.276 3.133 ( -1.599 0.259 -3.101) 3.498 3.184 ( -1.551 0.127 -0.730) 1.719 3.369 ( 4.283 -0.406 -3.931) 5.828 3.458 ( -0.999 0.242 4.187) 4.312 4.350 ( 14.792 -3.562 5.110) 16.050 4.593 ( 14.388 -7.031 -3.410) 16.373 5.380 ( -12.930 0.603 -2.070) 13.109 5.610 ( -3.712 -0.165 1.016) 3.852 9.848 ( 11.967 -3.984 0.471) 12.622 10.362 ( -12.620 3.515 -1.732) 13.215 10.721 ( 8.082 -4.359 -1.022) 9.239 11.145 ( -9.861 6.859 2.047) 12.185 17.527 ( -0.660 0.464 -0.109) 0.814 18.884 ( -0.676 0.970 0.254) 1.209 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( -0.000 -1.688 7.873) 8.052 1.852 ( -0.000 1.117 1.869) 2.177 2.477 ( 0.000 -1.161 -3.960) 4.127 2.703 ( 0.000 10.236 -7.735) 12.830 2.732 ( -0.000 4.374 2.372) 4.976 3.047 ( -0.000 -13.423 2.009) 13.573 3.250 ( -0.000 0.098 1.928) 1.930 3.411 ( -0.000 0.421 1.767) 1.817 3.727 ( -0.000 -2.208 3.020) 3.741 4.091 ( -0.000 -0.205 -0.001) 0.205 5.799 ( 0.000 6.017 -4.938) 7.784 6.018 ( 0.000 5.625 1.325) 5.779 9.300 ( -0.000 -0.969 0.061) 0.971 10.284 ( -0.000 -0.652 -0.053) 0.654 11.016 ( 0.000 -0.267 -2.595) 2.608 11.604 ( -0.000 -0.402 2.149) 2.186 17.563 ( 0.000 -0.530 -0.658) 0.845 18.941 ( -0.000 -1.825 0.959) 2.062 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -0.462 3.188 11.702) 12.137 2.008 ( 15.396 0.680 2.671) 15.640 2.390 ( -6.218 -2.203 -5.881) 8.838 2.781 ( 5.805 5.621 -7.238) 10.848 2.891 ( 8.659 -3.579 -3.839) 10.125 2.960 ( 5.574 -6.714 3.884) 9.552 3.259 ( -0.327 1.204 1.591) 2.022 3.427 ( 0.281 1.035 3.268) 3.440 3.732 ( 1.590 -0.371 3.244) 3.631 4.111 ( 3.010 -0.651 -0.326) 3.097 5.797 ( -3.175 1.547 -5.061) 6.172 6.008 ( -4.819 -0.085 1.947) 5.198 9.339 ( 5.242 -0.168 -0.038) 5.245 10.315 ( 3.926 0.139 0.037) 3.929 10.955 ( -5.509 -1.154 -3.499) 6.628 11.574 ( -4.771 1.175 3.007) 5.761 17.557 ( -0.401 0.296 -0.547) 0.740 18.927 ( -0.650 -0.282 0.886) 1.135 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.180 6.345 12.137) 13.697 2.172 ( -5.466 -4.037 -8.159) 10.618 2.362 ( 15.736 0.048 2.664) 15.960 2.865 ( 1.786 -5.063 3.858) 6.611 2.952 ( 11.587 -0.946 -13.269) 17.642 3.129 ( 9.350 0.313 2.153) 9.599 3.270 ( -0.238 1.933 0.704) 2.071 3.452 ( 0.968 -0.101 3.411) 3.548 3.816 ( 8.843 -0.503 4.371) 9.877 4.183 ( 7.161 -1.266 -1.068) 7.350 5.705 ( -5.838 -1.920 -5.958) 8.559 5.871 ( -8.722 -5.513 3.296) 10.832 9.464 ( 9.415 0.229 -0.004) 9.418 10.410 ( 6.724 0.421 0.064) 6.737 10.804 ( -9.678 -1.338 -3.726) 10.456 11.487 ( -8.656 3.150 3.201) 9.752 17.553 ( -0.752 0.997 -0.359) 1.299 18.918 ( -1.070 1.061 0.679) 1.653 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -0.924 6.987 8.825) 11.294 1.993 ( -6.074 -3.797 -7.933) 10.688 2.619 ( 12.109 -1.502 1.820) 12.337 2.866 ( 3.326 -4.902 2.685) 6.504 3.077 ( 6.457 -0.808 -8.713) 10.875 3.214 ( -0.184 1.788 0.071) 1.799 3.311 ( 2.503 2.060 0.367) 3.262 3.467 ( 0.692 -1.152 3.280) 3.545 4.021 ( 16.626 -7.105 5.322) 18.847 4.320 ( 11.278 -2.259 -2.689) 11.812 5.542 ( -8.882 -4.400 -5.342) 11.260 5.673 ( -6.558 -6.422 3.565) 9.846 9.634 ( 10.548 -1.447 0.149) 10.648 10.513 ( 2.650 0.071 -0.135) 2.654 10.627 ( -6.443 -0.551 -3.241) 7.233 11.380 ( -9.791 6.442 2.871) 12.067 17.549 ( -1.035 1.452 -0.124) 1.788 18.915 ( -1.198 2.012 0.368) 2.370 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.000 8.744 15.307) 17.628 1.874 ( -0.000 -0.126 3.337) 3.340 2.395 ( 0.000 -4.313 -6.921) 8.155 2.653 ( 0.000 -12.594 -17.174) 21.297 2.801 ( -0.000 0.711 4.328) 4.386 2.909 ( -0.000 2.037 3.229) 3.818 3.280 ( -0.000 1.820 0.913) 2.036 3.448 ( -0.000 1.723 3.972) 4.330 3.729 ( -0.000 0.800 2.398) 2.528 4.081 ( 0.000 -0.636 -0.530) 0.828 5.803 ( 0.000 -3.354 -4.605) 5.697 6.028 ( -0.000 -5.305 1.739) 5.582 9.297 ( 0.000 0.635 -0.135) 0.649 10.287 ( 0.000 0.923 0.104) 0.929 10.977 ( 0.000 -2.019 -4.267) 4.721 11.641 ( -0.000 2.832 3.747) 4.697 17.567 ( 0.000 1.233 -0.470) 1.319 18.939 ( -0.000 1.089 0.858) 1.386 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -2.272 10.214 12.852) 16.573 2.032 ( 14.169 0.346 4.412) 14.844 2.260 ( -4.972 -7.661 -7.919) 12.088 2.595 ( 11.513 -13.159 -12.002) 21.207 2.866 ( 5.479 1.185 1.921) 5.926 2.977 ( 5.566 0.566 1.528) 5.799 3.297 ( -0.360 1.977 0.280) 2.029 3.469 ( -0.876 1.782 3.956) 4.426 3.756 ( 1.343 1.282 2.042) 2.760 4.095 ( 2.695 -0.697 -0.678) 2.865 5.716 ( -2.589 -7.396 -4.943) 9.265 5.916 ( -4.758 -10.246 2.239) 11.517 9.349 ( 5.075 1.296 -0.104) 5.239 10.330 ( 3.652 1.421 0.097) 3.920 10.900 ( -5.041 -2.650 -4.373) 7.181 11.645 ( -4.712 4.473 3.903) 7.579 17.578 ( -0.528 2.165 -0.273) 2.245 18.951 ( -0.691 2.313 0.624) 2.493 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -2.673 7.228 6.215) 9.900 2.018 ( -4.775 -5.357 -5.913) 9.299 2.380 ( 16.347 0.078 4.870) 17.057 2.653 ( 11.507 -11.895 -6.066) 17.627 2.972 ( 4.325 1.851 -2.992) 5.575 3.127 ( 12.617 -1.893 1.411) 12.836 3.306 ( -0.408 1.127 0.987) 1.553 3.466 ( -1.832 0.621 2.758) 3.369 3.805 ( 4.289 -2.173 2.472) 5.406 4.161 ( 6.254 -0.358 -0.934) 6.334 5.564 ( -4.054 -9.671 -6.056) 12.110 5.705 ( -6.797 -12.854 3.698) 15.004 9.475 ( 8.081 0.894 0.024) 8.131 10.423 ( 5.491 0.873 0.054) 5.560 10.754 ( -7.876 -2.082 -3.940) 9.049 11.599 ( -7.839 6.535 3.562) 10.809 17.588 ( -1.161 2.881 -0.006) 3.106 18.962 ( -1.282 3.177 0.249) 3.435 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -0.000 -1.572 4.187) 4.473 1.953 ( -0.000 14.430 14.614) 20.538 2.251 ( 0.000 -7.212 -6.476) 9.693 2.264 ( 0.000 -18.173 -15.390) 23.813 2.796 ( -0.000 -2.947 2.891) 4.129 2.960 ( -0.000 0.616 0.518) 0.805 3.320 ( 0.000 1.920 0.642) 2.024 3.515 ( -0.000 3.387 3.730) 5.038 3.770 ( 0.000 2.467 0.318) 2.488 4.065 ( 0.000 -0.741 -0.419) 0.851 5.632 ( -0.000 -11.881 -4.662) 12.763 5.841 ( -0.000 -14.533 1.779) 14.641 9.324 ( 0.000 2.235 -0.062) 2.236 10.318 ( 0.000 2.240 0.050) 2.241 10.898 ( 0.000 -4.135 -4.465) 6.086 11.743 ( -0.000 5.622 4.151) 6.988 17.610 ( 0.000 3.473 -0.056) 3.473 18.986 ( 0.000 3.462 0.323) 3.477 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -1.780 -6.569 -4.459) 8.136 2.041 ( 1.260 -4.936 -1.000) 5.192 2.173 ( 8.183 9.282 10.029) 15.927 2.304 ( 12.631 -11.775 -7.743) 18.925 2.846 ( 9.393 -3.885 0.496) 10.177 2.963 ( 1.647 -3.226 0.714) 3.692 3.335 ( -0.679 1.561 1.934) 2.576 3.537 ( -2.525 3.542 2.655) 5.096 3.788 ( -0.544 1.294 -0.374) 1.452 4.083 ( 3.050 -0.241 -0.191) 3.065 5.478 ( -1.498 -14.469 -5.173) 15.439 5.657 ( -3.755 -17.055 2.096) 17.589 9.387 ( 4.428 2.576 0.074) 5.124 10.367 ( 2.917 2.327 -0.041) 3.732 10.809 ( -3.820 -4.917 -4.026) 7.414 11.775 ( -4.341 6.810 3.942) 8.986 17.642 ( -0.881 4.624 0.220) 4.712 19.017 ( -0.869 4.284 -0.126) 4.373 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 0.000 -19.569 -13.707) 23.892 1.836 ( -0.000 -5.286 1.984) 5.646 2.074 ( -0.000 -8.211 -1.745) 8.395 2.299 ( -0.000 14.453 9.800) 17.462 2.720 ( -0.000 -5.456 -0.273) 5.462 2.910 ( -0.000 -6.557 0.990) 6.631 3.363 ( -0.000 1.392 4.070) 4.302 3.606 ( -0.000 4.204 2.167) 4.730 3.810 ( 0.000 1.618 -2.097) 2.649 4.051 ( -0.000 -0.608 0.215) 0.645 5.323 ( -0.000 -17.169 -4.776) 17.821 5.516 ( -0.000 -18.815 0.776) 18.831 9.380 ( 0.000 3.534 0.245) 3.542 10.370 ( 0.000 3.064 -0.189) 3.070 10.771 ( 0.000 -7.275 -3.621) 8.127 11.888 ( -0.000 7.174 3.910) 8.170 17.704 ( 0.000 6.348 0.469) 6.365 19.069 ( 0.000 5.114 -0.651) 5.156 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -0.000 0.000 19.229) 19.229 0.424 ( -0.000 0.000 19.229) 19.229 0.685 ( -0.000 0.000 51.944) 51.944 1.546 ( 0.000 -0.000 -11.997) 11.997 1.546 ( 0.000 -0.000 -11.997) 11.997 2.423 ( -0.000 0.000 4.690) 4.690 2.423 ( -0.000 0.000 4.690) 4.690 3.512 ( 0.000 -0.000 -24.375) 24.375 4.032 ( 0.000 -0.000 -0.145) 0.145 4.032 ( 0.000 -0.000 -0.145) 0.145 4.832 ( -0.000 0.000 25.116) 25.116 6.299 ( 0.000 -0.000 -9.695) 9.695 9.674 ( 0.000 -0.000 -0.532) 0.532 9.674 ( 0.000 -0.000 -0.532) 0.532 10.594 ( -0.000 0.000 0.379) 0.379 10.594 ( -0.000 0.000 0.379) 0.379 18.536 ( 0.000 -0.000 -0.039) 0.039 20.766 ( 0.000 -0.000 -0.140) 0.140 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 13.716 7.919 12.376) 20.100 0.700 ( 8.150 4.705 35.839) 37.054 1.136 ( 29.290 16.911 24.924) 42.013 1.604 ( 5.953 3.437 -11.207) 13.147 1.715 ( 16.660 9.619 -12.807) 23.111 2.408 ( -1.141 -0.659 4.405) 4.598 2.659 ( 16.815 9.708 2.370) 19.560 3.424 ( -1.564 -0.903 -21.204) 21.281 4.041 ( 0.491 0.284 0.012) 0.568 4.089 ( 3.705 2.139 -6.332) 7.642 4.780 ( -8.498 -4.907 18.753) 21.165 5.744 ( -27.289 -15.755 19.991) 37.317 9.662 ( -1.212 -0.700 -0.429) 1.464 9.828 ( 11.183 6.456 2.511) 13.154 10.577 ( -1.339 -0.773 0.299) 1.575 11.290 ( 35.889 20.720 -37.191) 55.682 18.425 ( -8.602 -4.966 -0.684) 9.956 20.269 ( -28.776 -16.614 24.381) 41.213 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 7.283 4.205 34.325) 35.340 0.992 ( 15.251 8.805 6.695) 18.840 1.753 ( 9.431 5.445 -9.021) 14.141 1.873 ( 30.421 17.564 14.558) 38.024 2.070 ( 15.805 9.125 -12.036) 21.862 2.394 ( -0.950 -0.548 3.813) 3.968 3.125 ( 22.904 13.224 4.496) 26.827 3.373 ( 2.154 1.244 -17.242) 17.420 4.053 ( 0.607 0.350 0.187) 0.725 4.124 ( 0.611 0.353 -7.780) 7.812 4.611 ( -8.125 -4.691 9.633) 13.447 5.345 ( -15.153 -8.749 17.658) 24.859 9.619 ( -2.491 -1.438 -0.298) 2.892 10.134 ( 14.404 8.316 6.527) 17.868 10.537 ( -2.255 -1.302 0.199) 2.611 11.726 ( 13.392 7.732 -29.569) 33.368 18.204 ( -10.272 -5.931 -2.740) 12.174 19.818 ( -17.920 -10.346 19.575) 28.484 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 7.532 4.348 25.159) 26.620 1.322 ( 13.145 7.589 3.140) 15.500 1.967 ( 11.085 6.400 -5.537) 13.946 2.299 ( 8.106 4.680 -10.579) 14.125 2.386 ( -0.341 -0.197 2.570) 2.600 2.508 ( 22.368 12.914 11.519) 28.281 3.346 ( 3.438 1.985 -13.242) 13.824 3.725 ( 22.575 13.034 7.682) 27.176 4.055 ( -5.922 -3.419 -3.118) 7.515 4.068 ( 0.627 0.362 0.345) 0.802 4.549 ( 2.943 1.699 0.998) 3.542 5.115 ( -7.771 -4.486 8.479) 12.345 9.553 ( -3.343 -1.930 -0.155) 3.863 10.455 ( 12.342 7.125 7.992) 16.339 10.481 ( -2.813 -1.624 0.092) 3.249 11.842 ( 3.614 2.087 -18.490) 18.955 17.978 ( -9.205 -5.314 -3.355) 11.146 19.521 ( -12.638 -7.297 10.947) 18.243 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 7.219 4.168 14.455) 16.687 1.582 ( 9.948 5.744 0.283) 11.491 2.195 ( 9.158 5.287 1.193) 10.642 2.382 ( 2.150 1.241 -8.207) 8.575 2.401 ( 2.162 1.248 -1.734) 3.040 2.922 ( 13.035 7.526 8.810) 17.440 3.387 ( 2.200 1.270 -8.813) 9.172 3.862 ( -9.450 -5.456 -1.077) 10.965 4.081 ( 0.489 0.282 0.460) 0.728 4.086 ( 4.579 2.644 9.948) 11.266 4.750 ( 14.188 8.191 -0.749) 16.400 5.125 ( 9.650 5.572 -0.382) 11.150 9.475 ( -3.610 -2.084 -0.017) 4.169 10.416 ( -2.910 -1.680 -0.008) 3.360 10.701 ( 8.019 4.630 7.332) 11.810 11.834 ( -0.671 -0.387 -11.220) 11.247 17.790 ( -6.995 -4.039 -2.524) 8.462 19.299 ( -9.216 -5.321 5.174) 11.833 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 6.283 3.627 3.812) 8.195 1.764 ( 6.701 3.869 -2.056) 8.006 2.321 ( 1.158 0.669 9.231) 9.327 2.389 ( 0.287 0.166 -2.678) 2.698 2.517 ( 8.896 5.136 -7.658) 12.813 3.145 ( 5.582 3.223 6.471) 9.133 3.402 ( 1.382 0.798 -6.897) 7.080 3.641 ( -10.244 -5.914 0.489) 11.839 4.039 ( -7.094 -4.096 3.821) 9.039 4.090 ( 0.179 0.103 0.529) 0.568 5.111 ( 16.872 9.741 1.625) 19.549 5.472 ( 18.459 10.658 -1.738) 21.386 9.398 ( -3.243 -1.872 0.089) 3.746 10.355 ( -2.505 -1.446 -0.081) 2.894 10.847 ( 3.975 2.295 5.941) 7.508 11.776 ( -2.310 -1.334 -6.883) 7.382 17.658 ( -4.560 -2.632 -1.236) 5.408 19.135 ( -6.376 -3.681 1.782) 7.574 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 5.090 2.939 -5.678) 8.172 1.874 ( 3.930 2.269 -3.720) 5.868 2.342 ( -0.697 -0.403 8.499) 8.537 2.401 ( 0.663 0.383 5.290) 5.345 2.694 ( 7.632 4.406 -5.444) 10.358 3.202 ( -0.993 -0.573 3.375) 3.564 3.414 ( -8.702 -5.024 -2.828) 10.438 3.441 ( 2.164 1.249 -3.176) 4.041 3.885 ( -6.112 -3.529 -0.229) 7.062 4.091 ( -0.194 -0.112 0.549) 0.593 5.456 ( 12.915 7.457 3.632) 15.349 5.838 ( 13.790 7.962 -1.283) 15.975 9.336 ( -2.304 -1.330 0.138) 2.664 10.308 ( -1.644 -0.949 -0.111) 1.902 10.915 ( 1.192 0.688 4.764) 4.959 11.712 ( -2.026 -1.170 -4.559) 5.124 17.580 ( -2.392 -1.381 -0.121) 2.764 19.024 ( -3.819 -2.205 -0.087) 4.410 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 5.111 2.951 -12.637) 13.947 1.926 ( 1.783 1.029 -4.677) 5.110 2.334 ( -1.807 -1.043 7.756) 8.032 2.430 ( -1.026 -0.592 14.229) 14.278 2.814 ( 4.028 2.326 -3.826) 6.023 3.113 ( -6.493 -3.749 -4.116) 8.553 3.278 ( -1.891 -1.092 0.632) 2.273 3.488 ( 2.220 1.282 -5.157) 5.759 3.786 ( -2.718 -1.569 -1.011) 3.298 4.085 ( -0.452 -0.261 0.486) 0.713 5.677 ( 5.683 3.281 5.141) 8.336 6.048 ( 5.053 2.917 -1.186) 5.954 9.299 ( -0.957 -0.553 0.119) 1.112 10.284 ( -0.472 -0.272 -0.091) 0.552 10.932 ( -0.440 -0.254 4.030) 4.062 11.675 ( -0.200 -0.116 -3.461) 3.469 17.548 ( -0.533 -0.308 0.567) 0.837 18.965 ( -1.455 -0.840 -0.994) 1.951 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 7.628 4.404 -15.584) 17.901 1.935 ( 0.110 0.064 -4.968) 4.970 2.294 ( -3.475 -2.006 6.932) 8.009 2.371 ( -8.743 -5.048 19.573) 22.023 2.851 ( 0.084 0.049 -2.593) 2.595 2.998 ( -1.544 -0.891 -7.695) 7.899 3.282 ( 1.393 0.804 0.521) 1.691 3.515 ( 1.565 0.904 -5.340) 5.638 3.754 ( -0.113 -0.065 -0.633) 0.646 4.075 ( -0.534 -0.309 0.297) 0.685 5.724 ( -2.611 -1.507 5.921) 6.645 6.050 ( -4.535 -2.618 -1.244) 5.383 9.295 ( 0.562 0.324 0.039) 0.650 10.288 ( 0.792 0.457 -0.025) 0.915 10.917 ( -1.712 -0.989 3.623) 4.127 11.692 ( 2.483 1.434 -3.002) 4.151 17.558 ( 1.243 0.718 0.757) 1.623 18.954 ( 0.728 0.420 -1.205) 1.469 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -1.580 -0.912 -4.446) 4.806 2.055 ( 10.991 6.346 -13.865) 18.796 2.147 ( -14.375 -8.299 17.068) 23.808 2.209 ( -5.600 -3.233 5.426) 8.441 2.811 ( -3.104 -1.792 -1.304) 3.814 2.978 ( -0.444 -0.256 -4.149) 4.180 3.326 ( 2.297 1.326 -1.105) 2.874 3.544 ( 2.350 1.357 -4.291) 5.077 3.771 ( 1.568 0.905 0.014) 1.811 4.063 ( -0.542 -0.313 0.025) 0.626 5.594 ( -10.106 -5.835 5.816) 13.039 5.852 ( -12.646 -7.301 -1.203) 14.652 9.324 ( 1.986 1.146 -0.090) 2.295 10.318 ( 1.902 1.098 0.073) 2.197 10.869 ( -3.526 -2.036 3.461) 5.344 11.769 ( 4.952 2.859 -3.017) 6.466 17.608 ( 3.215 1.856 0.422) 3.736 18.990 ( 2.698 1.558 -0.745) 3.203 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -0.000 17.376 14.228) 22.458 0.765 ( -0.000 13.476 31.306) 34.083 1.187 ( -0.000 28.069 31.322) 42.058 1.490 ( 0.000 2.318 -12.862) 13.069 1.764 ( 0.000 23.953 -12.661) 27.094 2.474 ( -0.000 1.621 3.902) 4.226 2.560 ( -0.000 10.011 4.595) 11.015 3.367 ( 0.000 -2.043 -21.850) 21.945 4.025 ( 0.000 -0.154 -0.082) 0.174 4.104 ( 0.000 5.881 -5.329) 7.936 4.822 ( -0.000 -10.296 15.469) 18.583 5.796 ( -0.000 -28.836 17.222) 33.587 9.649 ( -0.000 -1.942 -0.497) 2.004 9.831 ( 0.000 12.916 2.660) 13.187 10.587 ( -0.000 -1.120 0.349) 1.174 11.212 ( 0.000 40.165 -32.525) 51.683 18.424 ( -0.000 -10.106 -0.555) 10.121 20.324 ( -0.000 -31.542 20.558) 37.650 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 5.412 17.643 17.530) 25.453 1.010 ( 4.830 11.292 28.325) 30.873 1.610 ( 11.759 5.436 -11.001) 16.996 1.702 ( 18.238 26.985 18.092) 37.257 2.016 ( 4.758 22.867 -13.103) 26.781 2.453 ( -3.348 2.647 4.397) 6.128 2.869 ( 19.464 10.584 5.552) 22.841 3.307 ( 0.712 -0.093 -20.180) 20.193 4.039 ( 1.429 0.181 0.002) 1.441 4.136 ( -0.877 4.432 -6.581) 7.983 4.692 ( -5.872 -9.277 8.765) 14.049 5.499 ( -10.920 -16.530 18.179) 26.888 9.627 ( -0.398 -2.378 -0.436) 2.451 10.053 ( 8.504 13.916 5.948) 17.360 10.561 ( -1.521 -1.330 0.263) 2.037 11.561 ( 10.535 19.220 -30.680) 37.704 18.261 ( -6.100 -10.440 -1.869) 12.234 19.981 ( -12.177 -20.830 19.557) 31.059 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 3.387 7.673 30.616) 31.744 1.322 ( 6.396 20.437 5.913) 22.215 1.867 ( 12.421 10.260 -9.163) 18.534 2.218 ( 6.616 12.046 -10.997) 17.601 2.325 ( 18.931 18.753 11.849) 29.162 2.439 ( -3.247 3.421 4.970) 6.852 3.278 ( 5.259 4.253 -12.173) 13.926 3.392 ( 23.401 5.284 0.977) 24.010 4.067 ( 0.326 -0.682 -0.974) 1.232 4.125 ( -2.115 4.006 -2.604) 5.226 4.562 ( -2.854 -1.426 2.422) 4.006 5.231 ( -10.102 -9.709 11.786) 18.309 9.585 ( -2.066 -1.777 -0.352) 2.748 10.357 ( 10.504 10.317 8.020) 16.765 10.518 ( -2.262 -0.785 0.313) 2.415 11.747 ( 5.539 5.991 -21.378) 22.882 18.046 ( -7.504 -8.534 -2.942) 11.739 19.658 ( -11.528 -13.324 12.579) 21.649 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 3.044 6.623 21.247) 22.463 1.610 ( 3.595 19.631 2.575) 20.123 2.159 ( 10.189 14.498 -6.373) 18.832 2.314 ( 2.624 1.248 -12.177) 12.519 2.438 ( -3.178 5.331 5.343) 8.190 2.795 ( 15.117 10.897 10.707) 21.492 3.340 ( 2.957 3.301 -10.654) 11.539 3.782 ( 17.254 -5.838 0.514) 18.222 3.955 ( -6.157 -6.197 -0.485) 8.749 4.218 ( 1.171 10.203 5.554) 11.675 4.630 ( 7.850 6.929 -0.740) 10.497 5.083 ( -0.755 -0.650 3.011) 3.172 9.526 ( -3.469 -0.636 -0.232) 3.534 10.458 ( -2.810 -0.586 0.268) 2.883 10.625 ( 8.385 5.833 7.776) 12.837 11.787 ( 1.676 -0.311 -13.385) 13.493 17.849 ( -6.566 -6.205 -2.646) 9.413 19.400 ( -9.275 -9.144 6.506) 14.559 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 2.678 5.076 10.710) 12.151 1.826 ( 0.145 18.291 -0.406) 18.296 2.307 ( 2.271 -4.769 -5.876) 7.901 2.438 ( 2.568 18.307 -0.143) 18.487 2.463 ( 1.579 5.124 -0.303) 5.370 3.086 ( 8.262 5.624 7.124) 12.273 3.374 ( 1.052 1.262 -7.201) 7.386 3.732 ( -7.909 -7.420 -1.332) 10.926 3.926 ( 6.315 -8.899 1.280) 10.986 4.247 ( -7.471 4.383 3.712) 9.424 4.923 ( 16.135 8.792 2.195) 18.505 5.271 ( 15.654 9.495 -1.649) 18.383 9.461 ( -4.329 0.782 -0.100) 4.401 10.404 ( -3.446 0.454 0.058) 3.476 10.793 ( 5.732 1.186 6.492) 8.741 11.752 ( -0.191 -3.577 -8.145) 8.898 17.701 ( -4.748 -4.038 -1.553) 6.423 19.204 ( -6.838 -6.301 2.615) 9.659 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.321 3.111 0.353) 3.898 1.964 ( -2.982 16.290 -2.814) 16.798 2.292 ( 3.499 -6.379 0.702) 7.309 2.491 ( -3.536 8.959 6.207) 11.459 2.682 ( 4.370 14.824 -4.045) 15.975 3.212 ( 1.245 0.914 4.933) 5.169 3.391 ( 2.158 1.615 -7.455) 7.927 3.516 ( -8.994 -7.150 0.561) 11.504 3.896 ( -0.444 -6.699 -0.550) 6.736 4.164 ( -6.131 4.006 0.586) 7.348 5.285 ( 16.295 6.533 4.026) 18.012 5.647 ( 17.191 7.779 -1.470) 18.927 9.401 ( -4.512 2.228 0.009) 5.032 10.356 ( -3.395 1.606 -0.027) 3.756 10.876 ( 3.545 -2.232 5.177) 6.660 11.687 ( -0.309 -4.986 -5.224) 7.228 17.605 ( -2.846 -2.312 -0.408) 3.690 19.064 ( -4.452 -4.127 0.382) 6.082 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 2.776 1.469 -8.580) 9.136 2.032 ( -4.764 13.482 -3.596) 14.744 2.299 ( 2.919 -5.954 5.909) 8.882 2.544 ( -3.000 9.615 8.746) 13.340 2.846 ( 0.393 12.230 -2.591) 12.508 3.180 ( -5.398 -2.796 0.392) 6.092 3.310 ( -4.846 -3.800 -2.176) 6.532 3.452 ( 2.292 1.693 -3.857) 4.796 3.818 ( -2.858 -1.437 -2.053) 3.801 4.125 ( -3.233 2.942 0.361) 4.386 5.574 ( 11.236 2.424 5.346) 12.677 5.933 ( 11.021 2.316 -1.387) 11.347 9.357 ( -3.976 3.494 0.062) 5.293 10.324 ( -2.798 2.666 -0.063) 3.865 10.903 ( 2.302 -4.264 4.371) 6.525 11.633 ( 1.135 -4.897 -3.860) 6.338 17.557 ( -1.126 -1.044 0.394) 1.586 18.977 ( -2.150 -2.348 -0.768) 3.275 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 5.377 1.150 -13.870) 14.920 2.056 ( -5.464 11.316 -3.129) 12.950 2.284 ( -0.403 -5.632 7.689) 9.539 2.593 ( -6.791 8.848 14.524) 18.313 2.903 ( -3.585 5.513 -2.600) 7.072 3.037 ( -5.330 0.812 -6.077) 8.124 3.270 ( 0.570 -0.045 0.051) 0.574 3.485 ( 1.340 0.861 -4.737) 4.997 3.774 ( -2.014 1.587 -2.129) 3.333 4.105 ( -2.290 2.098 0.463) 3.140 5.714 ( 3.511 -2.119 6.056) 7.313 6.035 ( 2.229 -3.684 -1.589) 4.590 9.338 ( -2.843 4.473 0.058) 5.300 10.315 ( -1.792 3.477 -0.055) 3.912 10.898 ( 1.480 -5.212 3.978) 6.722 11.622 ( 3.675 -3.664 -3.336) 6.169 17.548 ( 0.502 -0.088 0.717) 0.879 18.943 ( 0.061 -0.848 -1.167) 1.443 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 8.031 1.573 -12.034) 14.553 2.059 ( -4.075 7.813 -2.246) 9.093 2.207 ( -5.296 -3.700 5.882) 8.737 2.502 ( -15.851 6.078 13.210) 21.510 2.884 ( -2.324 4.047 -2.872) 5.480 2.997 ( -3.198 4.297 -3.823) 6.580 3.298 ( 1.991 0.777 -0.245) 2.152 3.500 ( 1.809 -0.200 -4.540) 4.891 3.768 ( -0.328 1.905 -1.372) 2.370 4.091 ( -1.872 1.944 0.336) 2.719 5.677 ( -4.799 -6.075 5.995) 9.791 5.931 ( -6.597 -8.905 -1.867) 11.238 9.349 ( -1.410 5.073 0.012) 5.265 10.331 ( -0.605 3.863 -0.021) 3.910 10.870 ( 0.161 -5.590 3.851) 6.790 11.671 ( 6.372 -1.900 -3.297) 7.421 17.575 ( 2.287 0.741 0.520) 2.460 18.957 ( 2.161 0.403 -0.913) 2.380 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.000 19.706 10.980) 22.558 1.164 ( -0.000 12.217 34.045) 36.171 1.510 ( 0.000 5.630 -11.494) 12.799 1.888 ( -0.000 29.845 16.469) 34.087 2.184 ( 0.000 22.083 -15.100) 26.752 2.520 ( -0.000 1.676 1.642) 2.347 2.845 ( -0.000 16.789 11.829) 20.538 3.262 ( 0.000 2.173 -19.466) 19.587 4.026 ( -0.000 0.226 0.371) 0.434 4.172 ( 0.000 3.698 -6.222) 7.238 4.665 ( -0.000 -8.270 5.112) 9.722 5.460 ( -0.000 -17.149 15.444) 23.078 9.598 ( -0.000 -3.153 -0.154) 3.157 10.156 ( 0.000 17.281 6.931) 18.620 10.554 ( -0.000 -2.384 0.085) 2.385 11.603 ( 0.000 17.902 -27.016) 32.409 18.195 ( -0.000 -12.206 -2.126) 12.390 19.906 ( -0.000 -22.371 16.446) 27.765 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.358 11.025 29.257) 31.267 1.437 ( 6.818 20.381 9.626) 23.549 1.682 ( 14.421 7.443 -9.746) 18.931 2.229 ( 5.503 15.425 -3.303) 16.707 2.351 ( 3.885 18.658 0.370) 19.062 2.543 ( -0.473 4.802 2.283) 5.339 3.143 ( 11.028 13.588 10.838) 20.585 3.268 ( 1.592 6.048 -16.151) 17.320 4.045 ( 1.249 -0.093 0.070) 1.255 4.170 ( -0.802 0.922 -2.981) 3.222 4.606 ( -2.161 1.012 0.508) 2.440 5.288 ( -5.980 -12.603 10.321) 17.353 9.573 ( 0.511 -3.091 -0.102) 3.135 10.373 ( 4.135 14.595 8.115) 17.204 10.527 ( -0.350 -2.132 0.112) 2.163 11.703 ( 2.235 8.784 -20.583) 22.490 18.041 ( -3.808 -10.724 -2.670) 11.689 19.687 ( -6.079 -17.488 11.544) 21.818 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -0.345 9.227 23.129) 24.904 1.765 ( 5.260 21.330 5.453) 22.636 2.015 ( 16.933 8.580 -6.949) 20.214 2.283 ( -0.059 1.449 -16.353) 16.417 2.607 ( -2.097 11.004 3.649) 11.781 2.707 ( 12.125 14.355 11.834) 22.207 3.313 ( 2.555 5.550 -10.444) 12.100 3.466 ( 13.224 1.030 4.001) 13.854 3.985 ( -4.618 -6.008 -2.029) 7.844 4.245 ( 5.955 5.157 6.041) 9.927 4.645 ( 0.260 11.022 -3.176) 11.473 5.117 ( -4.463 -4.725 3.756) 7.507 9.551 ( -0.371 -1.590 -0.167) 1.641 10.485 ( -0.930 -0.709 0.516) 1.278 10.598 ( 4.703 8.232 7.479) 12.076 11.735 ( 0.764 1.347 -13.751) 13.838 17.870 ( -4.768 -7.997 -2.517) 9.645 19.450 ( -7.136 -12.598 6.609) 15.916 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -1.126 7.298 14.536) 16.304 2.029 ( 1.251 20.260 2.070) 20.404 2.210 ( 0.911 -3.965 -9.592) 10.419 2.362 ( 12.316 8.524 -6.958) 16.515 2.701 ( -4.183 17.898 4.689) 18.969 3.021 ( 9.279 7.968 8.640) 14.975 3.364 ( 0.466 3.444 -7.097) 7.903 3.627 ( 10.136 -9.169 -1.698) 13.773 3.829 ( -4.770 -6.331 0.234) 7.930 4.373 ( -0.369 2.047 7.355) 7.644 4.806 ( 7.338 11.746 -1.909) 13.980 5.154 ( 7.795 7.697 -0.861) 10.988 9.529 ( -1.946 0.953 -0.171) 2.174 10.459 ( -1.923 0.530 0.113) 1.998 10.738 ( 3.784 2.231 6.406) 7.768 11.697 ( -0.495 -3.733 -8.479) 9.277 17.726 ( -4.099 -5.307 -1.670) 6.911 19.247 ( -6.184 -8.818 3.023) 11.186 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -1.822 5.094 5.018) 7.379 2.153 ( 2.907 -8.053 -4.320) 9.590 2.211 ( -3.390 20.112 -0.555) 20.403 2.582 ( 5.125 7.500 0.020) 9.084 2.842 ( -2.561 20.815 2.230) 21.091 3.202 ( 3.676 3.101 5.977) 7.672 3.369 ( 0.117 1.785 -6.545) 6.785 3.561 ( -4.626 -9.271 -2.081) 10.568 3.794 ( 4.728 -4.130 0.006) 6.278 4.328 ( -7.051 3.743 1.659) 8.153 5.091 ( 14.314 7.204 2.904) 16.286 5.444 ( 14.964 8.595 -1.446) 17.317 9.505 ( -3.584 3.809 -0.114) 5.231 10.434 ( -2.845 2.624 0.032) 3.870 10.800 ( 2.971 -3.261 4.961) 6.639 11.618 ( -0.446 -6.935 -5.246) 8.707 17.626 ( -2.830 -3.176 -0.651) 4.303 19.092 ( -4.528 -5.950 0.815) 7.521 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -1.872 2.905 -4.311) 5.525 2.128 ( 3.465 -7.553 3.186) 8.900 2.318 ( -4.562 16.791 -2.537) 17.583 2.701 ( -0.623 9.885 4.580) 10.913 2.989 ( -1.738 14.931 -0.069) 15.032 3.230 ( -1.979 -0.879 3.535) 4.145 3.345 ( -4.862 -4.427 -5.623) 8.652 3.435 ( 0.487 1.071 -1.410) 1.836 3.831 ( 1.084 1.856 -2.372) 3.201 4.260 ( -7.123 6.464 -0.185) 9.620 5.390 ( 14.158 1.919 5.276) 15.230 5.741 ( 13.496 2.608 -1.588) 13.837 9.483 ( -4.804 6.299 -0.063) 7.922 10.416 ( -3.464 4.530 -0.022) 5.703 10.809 ( 3.010 -7.000 4.106) 8.655 11.537 ( 1.164 -8.348 -3.698) 9.204 17.566 ( -1.476 -1.688 0.145) 2.247 18.987 ( -2.621 -3.715 -0.396) 4.563 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.323 1.732 -11.555) 11.689 2.128 ( 2.895 -7.461 8.976) 12.026 2.373 ( -6.193 14.874 -3.558) 16.500 2.792 ( -1.751 10.854 6.547) 12.796 3.031 ( -6.198 2.826 0.432) 6.826 3.148 ( -5.545 3.153 -0.467) 6.396 3.263 ( -0.235 -0.223 -1.864) 1.892 3.471 ( 0.922 1.913 -3.303) 3.927 3.853 ( -3.154 7.708 -4.061) 9.266 4.211 ( -6.179 6.177 0.339) 8.744 5.598 ( 9.162 -2.794 6.388) 11.513 5.908 ( 7.463 -4.119 -2.085) 8.775 9.468 ( -5.174 7.896 -0.050) 9.440 10.407 ( -3.506 5.775 -0.030) 6.756 10.795 ( 3.484 -8.781 3.780) 10.175 11.491 ( 4.047 -7.951 -3.164) 9.466 17.543 ( -0.142 -0.710 0.549) 0.909 18.931 ( -0.623 -1.934 -0.916) 2.229 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 5.424 2.247 -13.445) 14.671 2.104 ( -0.177 -8.161 10.961) 13.667 2.387 ( -7.715 14.382 -4.121) 16.833 2.845 ( -13.054 7.147 12.403) 19.373 2.909 ( 0.253 2.341 -4.410) 4.999 3.142 ( -3.735 7.340 -1.307) 8.339 3.276 ( 1.300 1.002 -0.975) 1.908 3.477 ( -0.376 0.461 -3.713) 3.760 3.847 ( -5.623 7.958 -4.131) 10.584 4.176 ( -4.670 5.183 0.934) 7.039 5.660 ( 1.594 -6.284 6.586) 9.242 5.893 ( -0.471 -9.726 -2.801) 10.133 9.464 ( -4.555 8.310 -0.035) 9.477 10.410 ( -2.979 6.037 -0.041) 6.732 10.777 ( 3.489 -8.925 3.738) 10.285 11.510 ( 7.278 -6.044 -3.124) 9.963 17.550 ( 1.307 -0.049 0.510) 1.404 18.924 ( 1.393 -0.534 -0.878) 1.731 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 11.447 4.198) 12.192 1.550 ( -0.000 12.715 26.285) 29.199 1.616 ( 0.000 14.043 -3.185) 14.400 2.273 ( 0.000 4.364 -14.919) 15.544 2.513 ( -0.000 19.484 8.863) 21.405 2.553 ( 0.000 1.689 -1.496) 2.256 3.246 ( 0.000 9.154 3.243) 9.712 3.326 ( 0.000 17.778 -1.586) 17.849 4.038 ( -0.000 0.632 0.962) 1.151 4.150 ( 0.000 -4.245 -1.932) 4.663 4.670 ( 0.000 9.861 -2.169) 10.097 5.239 ( -0.000 -10.787 5.920) 12.304 9.530 ( -0.000 -3.816 0.284) 3.827 10.499 ( -0.000 -3.276 -0.249) 3.285 10.511 ( -0.000 14.975 8.157) 17.053 11.721 ( 0.000 6.601 -16.903) 18.146 17.961 ( -0.000 -10.516 -2.595) 10.831 19.590 ( -0.000 -17.090 8.725) 19.189 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -1.160 10.711 19.041) 21.878 1.754 ( 13.317 7.849 -1.950) 15.580 1.884 ( 9.012 17.221 4.188) 19.883 2.238 ( 0.263 -2.418 -16.596) 16.773 2.623 ( 6.454 3.621 -2.944) 7.965 2.745 ( 4.331 15.130 10.842) 19.111 3.305 ( 0.931 4.375 -4.444) 6.305 3.485 ( -2.216 11.669 7.088) 13.832 3.996 ( -4.101 -4.635 -1.311) 6.327 4.173 ( 6.624 0.030 4.464) 7.988 4.789 ( -1.127 17.841 -3.857) 18.288 5.142 ( -2.794 -3.768 0.906) 4.778 9.511 ( 1.741 -3.338 0.291) 3.776 10.471 ( 0.529 -2.832 -0.236) 2.890 10.667 ( 0.687 10.880 7.250) 13.092 11.725 ( -0.852 2.076 -12.008) 12.216 17.842 ( -2.204 -8.477 -2.288) 9.052 19.424 ( -3.419 -13.939 5.492) 15.367 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -3.294 8.637 13.207) 16.121 2.035 ( 7.257 -0.259 -4.559) 8.574 2.165 ( 13.307 6.299 -6.155) 15.957 2.255 ( 3.688 12.206 -2.162) 12.933 2.818 ( 9.278 9.411 -2.013) 13.368 2.986 ( 7.145 9.599 9.642) 15.368 3.351 ( 3.079 0.977 -4.259) 5.346 3.499 ( -3.897 0.803 3.816) 5.513 3.856 ( -5.401 -5.682 -1.111) 7.918 4.316 ( 7.559 -1.857 8.141) 11.263 4.923 ( -3.123 18.098 -5.822) 19.267 5.147 ( 2.443 8.446 -0.690) 8.819 9.523 ( 2.294 -1.345 0.115) 2.662 10.463 ( 1.001 -1.318 -0.137) 1.661 10.761 ( -0.590 4.983 5.572) 7.499 11.672 ( -2.449 -2.418 -7.511) 8.262 17.725 ( -2.749 -5.922 -1.609) 6.724 19.250 ( -4.355 -10.336 2.846) 11.572 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -4.113 5.643 4.567) 8.344 2.013 ( 2.116 -7.879 -4.375) 9.257 2.410 ( 3.123 11.555 0.409) 11.977 2.506 ( 10.682 11.796 -1.600) 15.994 3.043 ( 3.030 13.357 1.189) 13.748 3.190 ( 4.616 6.352 6.708) 10.327 3.402 ( -2.100 3.087 -3.799) 5.327 3.432 ( 4.981 -9.665 -1.851) 11.029 3.740 ( -1.922 -2.081 0.397) 2.860 4.400 ( 2.803 -0.992 5.116) 5.917 5.042 ( 1.678 13.442 -3.161) 13.910 5.344 ( 7.663 11.419 -0.458) 13.760 9.558 ( 1.327 1.989 -0.018) 2.391 10.476 ( 0.551 1.163 -0.053) 1.288 10.771 ( -1.427 -1.223 3.921) 4.348 11.568 ( -3.062 -6.226 -4.379) 8.204 17.634 ( -2.325 -3.706 -0.799) 4.447 19.101 ( -3.886 -7.196 1.072) 8.248 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -4.715 3.028 -2.670) 6.207 1.980 ( 3.770 -8.214 2.061) 9.270 2.534 ( -1.753 12.982 -0.413) 13.107 2.745 ( 6.000 8.678 0.934) 10.591 3.153 ( -2.659 7.964 1.309) 8.497 3.249 ( -1.387 -1.768 3.258) 3.958 3.355 ( -0.552 -1.077 -3.234) 3.453 3.437 ( 0.088 -0.126 -1.633) 1.641 3.812 ( 5.758 7.750 -1.424) 9.760 4.434 ( -2.952 7.022 0.758) 7.655 5.217 ( 8.647 4.503 2.103) 9.974 5.572 ( 9.466 5.151 -0.920) 10.816 9.601 ( -0.920 6.055 -0.091) 6.125 10.499 ( -0.833 3.734 -0.058) 3.826 10.722 ( -0.475 -6.338 3.032) 7.042 11.442 ( -1.739 -9.121 -2.789) 9.696 17.573 ( -1.512 -2.111 -0.123) 2.599 18.991 ( -2.718 -4.653 0.026) 5.389 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -4.270 1.533 -8.877) 9.969 1.990 ( 5.222 -8.215 7.603) 12.352 2.605 ( -4.438 12.985 -1.224) 13.777 2.879 ( 1.695 5.846 0.726) 6.130 3.128 ( -3.308 -0.019 0.834) 3.412 3.220 ( -0.879 -1.669 1.748) 2.572 3.305 ( -4.409 3.094 -0.211) 5.390 3.463 ( 1.520 1.252 -2.177) 2.935 3.984 ( 0.882 15.078 -3.546) 15.514 4.432 ( -8.525 11.865 -0.618) 14.623 5.404 ( 11.239 -3.213 5.518) 12.926 5.729 ( 8.006 -2.797 -1.923) 8.696 9.637 ( -3.927 9.639 -0.183) 10.410 10.512 ( -1.802 3.406 0.014) 3.854 10.667 ( 1.278 -7.204 2.865) 7.857 11.339 ( 1.925 -10.556 -2.370) 10.989 17.541 ( -0.573 -1.095 0.283) 1.268 18.923 ( -1.191 -2.639 -0.502) 2.939 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -0.005 1.678 -11.964) 12.081 2.014 ( 3.772 -8.038 10.210) 13.530 2.632 ( -6.354 12.082 -1.579) 13.742 2.920 ( -0.486 1.338 -4.499) 4.719 3.086 ( -4.816 3.412 8.198) 10.102 3.197 ( -0.356 -0.234 1.545) 1.603 3.289 ( -1.525 3.436 -1.230) 3.955 3.481 ( 0.352 0.369 -2.991) 3.034 4.082 ( -7.064 16.813 -5.371) 19.012 4.377 ( -10.574 10.640 1.063) 15.039 5.532 ( 7.863 -7.109 6.663) 12.521 5.764 ( 3.512 -8.873 -3.175) 10.057 9.650 ( -6.309 10.747 -0.231) 12.464 10.510 ( -0.426 0.591 0.316) 0.794 10.640 ( 1.119 -4.574 2.825) 5.491 11.309 ( 6.909 -9.218 -2.510) 11.790 17.534 ( 0.481 -0.498 0.373) 0.787 18.898 ( 0.527 -1.098 -0.630) 1.371 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 5.777 -3.384) 6.695 1.869 ( -0.000 8.806 9.886) 13.239 1.969 ( -0.000 16.600 7.273) 18.123 2.164 ( 0.000 -3.528 -11.393) 11.927 2.570 ( 0.000 1.652 -4.842) 5.116 2.874 ( -0.000 12.855 9.653) 16.075 3.326 ( 0.000 2.574 -3.235) 4.134 3.624 ( -0.000 4.515 7.890) 9.091 4.054 ( -0.000 -4.872 3.445) 5.967 4.058 ( -0.000 0.845 1.302) 1.553 4.988 ( 0.000 22.496 -3.856) 22.824 5.153 ( 0.000 2.850 -2.702) 3.927 9.457 ( -0.000 -3.900 0.568) 3.941 10.430 ( -0.000 -3.564 -0.463) 3.594 10.784 ( -0.000 9.770 5.889) 11.408 11.725 ( 0.000 0.701 -8.850) 8.877 17.777 ( -0.000 -7.449 -1.928) 7.695 19.332 ( -0.000 -12.801 3.823) 13.360 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 14.405 4.403 -1.517) 15.139 1.895 ( -0.451 -0.891 -5.530) 5.619 2.077 ( -2.464 4.901 2.192) 5.907 2.282 ( 8.810 13.588 5.582) 17.129 2.661 ( 10.516 2.888 -6.239) 12.564 3.024 ( 2.417 9.258 9.326) 13.362 3.332 ( -0.070 0.163 -2.189) 2.196 3.604 ( -4.237 -2.426 5.152) 7.098 3.913 ( -6.944 -3.401 1.098) 7.810 4.176 ( 7.719 -2.919 5.248) 9.780 5.156 ( -3.725 18.273 -8.744) 20.597 5.231 ( 0.711 15.959 0.865) 15.998 9.450 ( 3.086 -3.165 0.480) 4.447 10.412 ( 1.917 -2.924 -0.402) 3.519 10.857 ( -2.252 6.178 3.944) 7.668 11.684 ( -2.574 -1.684 -5.398) 6.213 17.699 ( -1.206 -5.590 -1.414) 5.891 19.209 ( -2.008 -10.272 2.275) 10.711 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 1.098 -7.454 -8.426) 11.303 2.029 ( -4.387 5.574 7.600) 10.396 2.232 ( 17.668 4.393 -2.669) 18.401 2.550 ( 5.875 12.991 2.704) 14.512 2.939 ( 17.336 5.505 -5.274) 18.939 3.175 ( 4.831 5.542 8.598) 11.313 3.319 ( 0.045 -1.969 -1.632) 2.558 3.493 ( -5.601 -3.870 2.396) 7.217 3.786 ( -4.805 -1.305 0.657) 5.022 4.279 ( 7.909 -3.886 4.937) 10.101 5.227 ( -4.911 16.806 -7.924) 19.218 5.413 ( 0.545 16.503 1.489) 16.579 9.500 ( 5.281 -1.160 0.264) 5.414 10.437 ( 3.509 -1.214 -0.228) 3.720 10.841 ( -5.081 1.616 2.077) 5.722 11.582 ( -5.097 -4.166 -2.643) 7.094 17.628 ( -1.508 -3.696 -0.851) 4.081 19.088 ( -2.660 -7.462 1.147) 8.005 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.652 -7.523 -2.358) 8.318 1.985 ( -6.689 3.508 2.029) 7.820 2.532 ( 12.244 4.317 -0.133) 12.984 2.749 ( 4.264 10.211 0.462) 11.075 3.176 ( 5.695 1.579 -0.998) 5.994 3.261 ( -2.415 -5.887 0.308) 6.370 3.328 ( 4.038 3.551 2.104) 5.774 3.422 ( 0.605 -0.247 -0.759) 1.001 3.795 ( 4.741 7.226 0.931) 8.692 4.412 ( 9.361 0.156 3.485) 9.990 5.271 ( -4.751 12.100 -5.016) 13.934 5.556 ( 0.886 9.892 1.215) 10.006 9.599 ( 5.817 2.164 0.115) 6.207 10.499 ( 3.573 1.127 -0.089) 3.748 10.739 ( -6.179 -2.907 0.916) 6.889 11.429 ( -6.276 -6.531 -1.073) 9.121 17.575 ( -1.268 -2.200 -0.367) 2.566 18.988 ( -2.383 -4.922 0.427) 5.485 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.376 -4.751 -0.326) 4.777 1.909 ( -3.093 -0.442 0.245) 3.134 2.718 ( 4.042 6.906 0.181) 8.004 2.877 ( 2.586 3.801 0.291) 4.606 3.158 ( -2.416 -3.475 -0.523) 4.264 3.213 ( -0.299 -0.558 0.220) 0.670 3.392 ( -0.499 2.442 1.254) 2.790 3.428 ( 1.387 -0.844 -1.228) 2.036 4.048 ( 9.069 14.542 -0.558) 17.147 4.593 ( 5.525 7.968 1.098) 9.758 5.283 ( -0.667 2.256 -0.602) 2.428 5.632 ( 1.412 1.395 0.109) 1.988 9.728 ( 4.068 6.918 -0.017) 8.025 10.512 ( -3.167 -5.221 0.220) 6.110 10.660 ( 0.842 2.073 0.515) 2.296 11.255 ( -4.868 -9.083 -0.673) 10.327 17.542 ( -0.766 -1.200 -0.030) 1.424 18.918 ( -1.520 -2.823 -0.004) 3.206 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -3.353 -0.615 -6.720) 7.535 1.904 ( 3.347 -4.157 6.043) 8.062 2.806 ( -2.414 8.278 0.621) 8.646 2.915 ( 1.040 -0.136 -2.969) 3.149 3.123 ( 0.152 -0.818 1.664) 1.860 3.194 ( -0.381 -1.585 0.688) 1.769 3.379 ( -3.373 3.036 3.264) 5.590 3.451 ( 1.986 -0.736 -3.362) 3.973 4.290 ( 1.548 15.851 -1.950) 16.045 4.684 ( -8.232 13.129 -0.805) 15.517 5.320 ( 8.028 -7.552 3.742) 11.640 5.634 ( 1.719 -5.273 -1.389) 5.717 9.845 ( -2.007 11.985 -0.321) 12.157 10.381 ( 0.979 -12.993 0.975) 13.067 10.734 ( -1.748 9.153 0.792) 9.352 11.118 ( 1.947 -11.327 -1.296) 11.566 17.526 ( -0.110 -0.618 0.137) 0.643 18.884 ( -0.285 -1.206 -0.228) 1.260 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 4.440 -1.047) 4.562 1.807 ( 0.000 -8.565 -11.868) 14.635 2.267 ( -0.000 10.531 6.721) 12.493 2.287 ( -0.000 12.317 7.991) 14.682 2.573 ( 0.000 1.996 -7.688) 7.943 3.108 ( -0.000 7.168 9.095) 11.580 3.324 ( 0.000 -1.122 -2.010) 2.302 3.596 ( -0.000 -7.163 2.905) 7.730 3.957 ( -0.000 -8.353 5.505) 10.004 4.080 ( -0.000 0.682 1.124) 1.315 5.316 ( 0.000 15.924 -8.208) 17.915 5.434 ( 0.000 22.212 0.410) 22.215 9.389 ( -0.000 -3.428 0.554) 3.472 10.362 ( -0.000 -3.136 -0.447) 3.168 10.942 ( 0.000 4.911 1.900) 5.266 11.681 ( 0.000 -2.040 -2.810) 3.473 17.656 ( -0.000 -4.506 -1.135) 4.647 19.137 ( -0.000 -8.829 1.637) 8.980 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.753 -8.622 -6.489) 10.817 1.928 ( 15.541 3.507 0.234) 15.934 2.258 ( -7.627 8.077 4.068) 11.830 2.542 ( 8.316 9.279 3.218) 12.869 2.696 ( 13.612 5.000 -5.905) 15.657 3.195 ( 1.336 3.793 9.322) 10.152 3.303 ( -0.165 -1.842 -2.291) 2.945 3.504 ( -2.396 -7.804 1.306) 8.267 3.844 ( -4.032 -5.138 3.177) 7.263 4.140 ( 5.503 -1.843 2.171) 6.197 5.432 ( -2.721 16.141 -7.833) 18.146 5.616 ( -2.418 18.784 1.288) 18.983 9.396 ( 4.243 -2.591 0.388) 4.987 10.360 ( 3.015 -2.298 -0.312) 3.804 10.947 ( -4.121 2.371 -0.007) 4.755 11.623 ( -3.764 -2.778 -0.541) 4.709 17.611 ( -0.662 -3.146 -0.837) 3.322 19.054 ( -1.238 -6.683 1.133) 6.890 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 2.267 -7.102 0.905) 7.510 2.153 ( -5.187 4.383 0.109) 6.791 2.300 ( 15.633 3.260 0.104) 15.969 2.741 ( 6.904 6.514 -0.791) 9.524 3.007 ( 14.926 4.062 -2.629) 15.690 3.250 ( 0.119 -1.565 6.042) 6.242 3.284 ( 2.032 -2.890 -2.175) 4.148 3.415 ( -0.713 -1.750 1.074) 2.174 3.791 ( 1.120 0.429 2.890) 3.129 4.240 ( 8.804 -2.036 2.270) 9.318 5.485 ( -6.017 13.297 -7.453) 16.388 5.713 ( -4.675 12.639 2.352) 13.680 9.481 ( 7.855 -0.955 0.223) 7.916 10.417 ( 5.595 -0.790 -0.146) 5.652 10.851 ( -8.104 -0.485 -1.270) 8.218 11.501 ( -7.300 -3.416 0.867) 8.106 17.572 ( -0.861 -1.910 -0.567) 2.170 18.978 ( -1.701 -4.437 0.774) 4.815 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 3.447 -5.171 6.976) 9.343 2.038 ( -9.306 2.279 -5.604) 11.100 2.598 ( 14.085 2.425 0.736) 14.311 2.877 ( 3.080 3.270 1.158) 4.639 3.138 ( 1.527 -1.835 -1.977) 3.100 3.226 ( -1.430 -0.583 0.071) 1.546 3.314 ( 6.098 -2.858 -2.252) 7.101 3.446 ( 0.425 1.702 2.491) 3.047 3.961 ( 13.292 7.615 2.962) 15.603 4.423 ( 14.489 -0.994 1.853) 14.641 5.446 ( -9.306 8.652 -6.327) 14.195 5.714 ( -6.079 5.111 2.486) 8.322 9.636 ( 10.289 1.390 0.201) 10.384 10.512 ( 4.012 0.209 -0.061) 4.018 10.684 ( -7.444 -2.246 -1.754) 7.971 11.325 ( -9.750 -3.848 1.369) 10.570 17.543 ( -0.762 -0.986 -0.333) 1.290 18.919 ( -1.539 -2.438 0.489) 2.925 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -0.000 -6.507 -0.594) 6.534 1.818 ( 0.000 2.901 1.218) 3.146 2.467 ( 0.000 2.200 0.818) 2.347 2.488 ( 0.000 10.434 -1.401) 10.528 2.618 ( 0.000 6.999 -2.151) 7.322 3.226 ( -0.000 -1.110 8.429) 8.501 3.276 ( 0.000 -2.621 -1.598) 3.070 3.451 ( -0.000 -6.298 -0.033) 6.298 3.821 ( -0.000 -6.872 4.055) 7.980 4.092 ( -0.000 0.171 0.488) 0.517 5.586 ( 0.000 14.285 -6.794) 15.819 5.812 ( 0.000 15.828 1.005) 15.860 9.334 ( -0.000 -2.451 0.291) 2.468 10.310 ( -0.000 -2.060 -0.236) 2.074 11.000 ( 0.000 1.455 -1.823) 2.333 11.635 ( -0.000 -2.079 1.308) 2.456 17.588 ( -0.000 -2.258 -0.788) 2.392 19.010 ( -0.000 -5.157 1.102) 5.273 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 0.505 -3.489 6.002) 6.960 1.987 ( 15.318 2.117 2.215) 15.621 2.372 ( -8.303 2.894 -3.229) 9.368 2.652 ( 8.011 5.220 -5.811) 11.189 2.818 ( 12.617 6.750 1.081) 14.350 3.184 ( 1.103 -10.289 1.059) 10.402 3.261 ( -0.467 -0.847 2.845) 3.005 3.416 ( -0.159 -0.061 1.548) 1.558 3.774 ( 0.122 -3.250 3.655) 4.892 4.124 ( 3.820 -0.769 0.459) 3.924 5.664 ( -3.329 10.673 -6.586) 12.976 5.911 ( -3.879 10.551 1.681) 11.367 9.356 ( 4.987 -1.595 0.135) 5.238 10.325 ( 3.703 -1.169 -0.102) 3.885 10.959 ( -5.122 -0.025 -2.951) 5.912 11.585 ( -4.545 -1.462 2.432) 5.358 17.565 ( -0.414 -1.293 -0.706) 1.530 18.964 ( -0.848 -3.325 1.041) 3.585 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 1.474 -0.801 10.726) 10.856 2.185 ( -5.754 0.399 -6.780) 8.901 2.353 ( 14.908 1.660 1.970) 15.129 2.825 ( 7.310 4.232 -2.698) 8.867 3.044 ( 6.971 -2.410 -2.783) 7.883 3.148 ( 7.385 -5.090 -0.819) 9.006 3.250 ( -0.659 0.227 1.676) 1.815 3.447 ( 1.590 1.536 3.262) 3.940 3.822 ( 7.755 0.812 4.421) 8.964 4.211 ( 8.412 -1.763 0.149) 8.596 5.645 ( -6.888 6.516 -6.780) 11.656 5.891 ( -7.559 4.223 2.602) 9.041 9.467 ( 9.375 -0.511 0.094) 9.389 10.407 ( 6.752 -0.166 -0.017) 6.754 10.821 ( -9.576 -1.281 -3.309) 10.212 11.470 ( -8.679 -0.534 2.752) 9.120 17.547 ( -0.618 -0.447 -0.571) 0.953 18.925 ( -1.249 -1.557 0.893) 2.187 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -0.000 1.217 12.140) 12.201 1.869 ( -0.000 1.427 3.046) 3.364 2.439 ( 0.000 -2.049 -6.419) 6.738 2.632 ( 0.000 6.516 -12.150) 13.787 2.755 ( -0.000 5.108 3.914) 6.436 3.062 ( -0.000 -12.787 2.463) 13.022 3.266 ( -0.000 -0.255 2.096) 2.112 3.428 ( -0.000 1.313 3.057) 3.327 3.751 ( -0.000 -2.479 3.348) 4.166 4.090 ( 0.000 -0.396 -0.211) 0.448 5.760 ( 0.000 6.470 -5.961) 8.797 6.028 ( 0.000 5.744 1.488) 5.933 9.300 ( -0.000 -1.049 -0.003) 1.049 10.284 ( -0.000 -0.588 -0.003) 0.588 10.992 ( 0.000 -0.629 -3.921) 3.971 11.624 ( -0.000 -0.045 3.326) 3.326 17.558 ( 0.000 -0.478 -0.757) 0.895 18.948 ( -0.000 -1.863 1.176) 2.203 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -1.048 4.389 14.258) 14.955 2.031 ( 14.731 0.965 3.625) 15.201 2.341 ( -6.070 -2.880 -7.780) 10.280 2.698 ( 8.902 1.437 -14.352) 16.950 2.886 ( 6.874 -2.288 1.614) 7.423 2.995 ( 4.633 -4.754 5.533) 8.642 3.268 ( -0.438 0.779 0.800) 1.200 3.453 ( 0.272 1.364 4.167) 4.393 3.755 ( 1.953 -0.640 3.136) 3.749 4.108 ( 2.996 -0.859 -0.422) 3.145 5.757 ( -3.427 1.907 -6.006) 7.173 6.022 ( -4.523 0.012 1.895) 4.904 9.339 ( 5.267 -0.215 -0.052) 5.272 10.315 ( 3.917 0.178 0.050) 3.921 10.927 ( -5.380 -1.366 -4.125) 6.916 11.597 ( -4.893 1.392 3.503) 6.177 17.553 ( -0.366 0.376 -0.693) 0.870 18.934 ( -0.704 -0.358 1.126) 1.375 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -0.000 8.898 16.949) 19.142 1.901 ( -0.000 0.040 4.344) 4.344 2.345 ( 0.000 -4.319 -7.209) 8.404 2.516 ( 0.000 -10.597 -20.476) 23.055 2.829 ( -0.000 0.562 3.619) 3.662 2.946 ( -0.000 -0.837 6.561) 6.614 3.283 ( 0.000 1.532 0.148) 1.539 3.479 ( -0.000 1.806 4.783) 5.112 3.745 ( -0.000 0.301 1.841) 1.865 4.077 ( 0.000 -0.680 -0.455) 0.818 5.766 ( 0.000 -3.052 -5.682) 6.450 6.040 ( -0.000 -5.239 1.599) 5.477 9.296 ( 0.000 0.621 -0.095) 0.628 10.287 ( 0.000 0.936 0.071) 0.938 10.946 ( 0.000 -2.106 -4.280) 4.770 11.668 ( -0.000 2.964 3.654) 4.706 17.563 ( 0.000 1.371 -0.673) 1.528 18.946 ( -0.000 0.928 1.131) 1.463 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -0.000 0.000 18.475) 18.475 0.559 ( -0.000 0.000 18.475) 18.475 1.079 ( -0.000 0.000 57.836) 57.836 1.454 ( 0.000 -0.000 -13.671) 13.671 1.454 ( 0.000 -0.000 -13.671) 13.671 2.456 ( -0.000 0.000 4.299) 4.299 2.456 ( -0.000 0.000 4.299) 4.299 3.335 ( 0.000 -0.000 -25.618) 25.618 4.030 ( 0.000 -0.000 -0.144) 0.144 4.030 ( 0.000 -0.000 -0.144) 0.144 4.975 ( -0.000 0.000 14.796) 14.796 6.240 ( 0.000 -0.000 -6.342) 6.342 9.670 ( 0.000 -0.000 -0.553) 0.553 9.670 ( 0.000 -0.000 -0.553) 0.553 10.596 ( -0.000 0.000 0.393) 0.393 10.596 ( -0.000 0.000 0.393) 0.393 18.536 ( 0.000 -0.000 -0.066) 0.066 20.765 ( 0.000 -0.000 -0.136) 0.136 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 11.340 6.547 13.556) 18.848 0.923 ( 15.087 8.711 25.613) 30.976 1.375 ( 17.981 10.381 41.677) 46.562 1.517 ( 6.620 3.822 -12.993) 15.075 1.623 ( 16.886 9.749 -12.680) 23.258 2.440 ( -1.202 -0.694 4.436) 4.648 2.674 ( 16.713 9.649 1.770) 19.379 3.263 ( -0.427 -0.246 -24.594) 24.599 4.040 ( 0.539 0.311 -0.162) 0.643 4.057 ( 2.026 1.170 -3.003) 3.806 4.879 ( -10.001 -5.774 9.001) 14.642 5.863 ( -22.708 -13.110 13.997) 29.723 9.658 ( -1.176 -0.679 -0.566) 1.471 9.845 ( 12.934 7.467 2.110) 15.083 10.580 ( -1.366 -0.789 0.406) 1.629 11.075 ( 30.129 17.395 -23.880) 42.197 18.422 ( -9.077 -5.241 -0.371) 10.488 20.405 ( -24.639 -14.225 14.544) 31.953 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 13.694 7.906 8.214) 17.819 1.204 ( 5.587 3.226 35.582) 36.163 1.681 ( 10.483 6.052 -10.996) 16.353 1.967 ( 19.177 11.072 -3.451) 22.411 2.017 ( 24.460 14.122 12.873) 31.040 2.424 ( -1.144 -0.660 4.444) 4.636 3.134 ( 18.704 10.799 -3.150) 21.826 3.245 ( 8.855 5.112 -17.779) 20.510 4.053 ( 0.675 0.390 -0.143) 0.793 4.081 ( 0.563 0.325 -4.157) 4.208 4.657 ( -9.531 -5.503 3.663) 11.599 5.465 ( -16.949 -9.785 15.819) 25.165 9.616 ( -2.433 -1.405 -0.527) 2.858 10.182 ( 15.347 8.861 6.805) 18.983 10.539 ( -2.299 -1.327 0.381) 2.682 11.529 ( 16.080 9.284 -25.085) 31.209 18.188 ( -10.855 -6.267 -1.789) 12.662 19.941 ( -19.779 -11.419 14.850) 27.242 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 11.950 6.899 4.362) 14.472 1.382 ( 3.830 2.211 29.147) 29.481 1.917 ( 12.556 7.249 -8.195) 16.654 2.222 ( 8.437 4.871 -11.205) 14.848 2.412 ( -0.866 -0.500 4.346) 4.460 2.600 ( 20.820 12.021 14.130) 27.886 3.245 ( 5.251 3.032 -15.251) 16.412 3.742 ( 22.892 13.217 -3.061) 26.610 4.043 ( -3.515 -2.029 0.502) 4.089 4.068 ( 0.706 0.407 -0.103) 0.821 4.558 ( 1.946 1.124 1.384) 2.640 5.178 ( -10.832 -6.254 8.786) 15.285 9.551 ( -3.270 -1.888 -0.433) 3.800 10.482 ( -2.868 -1.656 0.315) 3.326 10.514 ( 12.325 7.116 8.115) 16.382 11.715 ( 6.203 3.581 -16.737) 18.206 17.957 ( -9.249 -5.340 -2.433) 10.953 19.592 ( -14.511 -8.378 8.669) 18.865 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 3.123 1.803 18.311) 18.662 1.587 ( 8.962 5.174 1.120) 10.408 2.183 ( 12.393 7.155 -4.487) 14.998 2.321 ( 3.492 2.016 -9.061) 9.918 2.408 ( -0.218 -0.126 3.471) 3.480 2.982 ( 11.827 6.828 7.716) 15.686 3.324 ( 3.508 2.025 -8.529) 9.442 3.843 ( -7.667 -4.427 -4.064) 9.742 4.083 ( 0.570 0.329 -0.041) 0.660 4.130 ( 3.827 2.209 2.467) 5.061 4.767 ( 14.424 8.328 5.340) 17.491 5.125 ( 7.715 4.455 0.093) 8.910 9.474 ( -3.536 -2.041 -0.297) 4.093 10.417 ( -2.966 -1.712 0.218) 3.432 10.753 ( 7.601 4.389 7.060) 11.265 11.757 ( 0.972 0.561 -10.049) 10.111 17.774 ( -6.715 -3.877 -1.797) 7.960 19.332 ( -10.404 -6.007 3.875) 12.623 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 2.395 1.383 6.403) 6.975 1.751 ( 5.964 3.443 -1.417) 7.031 2.368 ( 2.665 1.539 -3.291) 4.505 2.387 ( 1.620 0.935 9.202) 9.391 2.462 ( 9.059 5.230 -7.966) 13.148 3.185 ( 5.270 3.042 4.676) 7.674 3.351 ( 1.246 0.720 -6.982) 7.129 3.641 ( -9.602 -5.544 -0.538) 11.101 4.049 ( -8.006 -4.622 -0.760) 9.276 4.092 ( 0.258 0.149 0.066) 0.305 5.138 ( 16.730 9.659 5.699) 20.141 5.460 ( 18.602 10.740 -1.626) 21.541 9.398 ( -3.181 -1.836 -0.148) 3.676 10.355 ( -2.551 -1.473 0.110) 2.948 10.889 ( 3.584 2.069 5.639) 6.995 11.729 ( -1.427 -0.824 -6.161) 6.377 17.651 ( -4.235 -2.445 -0.692) 4.939 19.145 ( -7.043 -4.066 1.003) 8.195 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 1.918 1.107 -5.010) 5.478 1.849 ( 3.446 1.990 -3.102) 5.046 2.401 ( -0.891 -0.514 7.887) 7.954 2.438 ( 3.578 2.066 4.994) 6.481 2.655 ( 8.218 4.745 -5.259) 10.850 3.225 ( -2.266 -1.308 2.963) 3.953 3.364 ( -1.626 -0.939 -8.424) 8.630 3.444 ( -4.702 -2.714 1.237) 5.568 3.874 ( -6.315 -3.646 -2.631) 7.752 4.094 ( -0.133 -0.077 0.223) 0.271 5.490 ( 13.030 7.523 5.799) 16.124 5.829 ( 13.846 7.994 -1.311) 16.042 9.336 ( -2.267 -1.309 -0.019) 2.617 10.308 ( -1.672 -0.965 0.016) 1.930 10.949 ( 0.938 0.542 4.741) 4.863 11.679 ( -1.609 -0.929 -4.360) 4.740 17.580 ( -2.161 -1.248 0.240) 2.507 19.022 ( -4.156 -2.399 -0.536) 4.828 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 3.338 1.927 -13.778) 14.307 1.895 ( 1.515 0.875 -4.020) 4.384 2.389 ( -1.942 -1.121 7.520) 7.847 2.534 ( 2.030 1.172 14.667) 14.853 2.785 ( 4.402 2.541 -4.205) 6.597 3.084 ( -8.954 -5.169 -3.729) 10.991 3.277 ( -1.119 -0.646 -0.895) 1.572 3.454 ( 1.829 1.056 -4.224) 4.722 3.772 ( -2.434 -1.405 -2.584) 3.818 4.088 ( -0.440 -0.254 0.381) 0.635 5.717 ( 5.775 3.334 6.024) 8.987 6.038 ( 5.043 2.911 -1.402) 5.989 9.300 ( -0.951 -0.549 0.067) 1.100 10.284 ( -0.476 -0.275 -0.048) 0.552 10.962 ( -0.599 -0.346 4.359) 4.413 11.649 ( -0.006 -0.004 -3.722) 3.722 17.553 ( -0.440 -0.254 0.724) 0.885 18.957 ( -1.568 -0.905 -1.186) 2.164 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -0.000 15.516 14.633) 21.328 0.947 ( -0.000 21.319 20.435) 29.531 1.396 ( 0.000 2.812 -13.346) 13.639 1.466 ( -0.000 15.055 43.679) 46.200 1.676 ( 0.000 23.674 -10.168) 25.765 2.498 ( -0.000 1.205 2.683) 2.942 2.594 ( 0.000 11.474 4.794) 12.435 3.198 ( 0.000 -0.594 -25.847) 25.854 4.026 ( -0.000 -0.067 0.116) 0.134 4.075 ( 0.000 3.959 -3.073) 5.012 4.898 ( -0.000 -11.746 6.116) 13.243 5.900 ( -0.000 -23.697 12.403) 26.746 9.646 ( -0.000 -1.874 -0.320) 1.901 9.849 ( 0.000 14.993 2.163) 15.148 10.589 ( -0.000 -1.172 0.213) 1.192 11.025 ( 0.000 32.997 -20.548) 38.872 18.421 ( -0.000 -10.558 -0.316) 10.563 20.438 ( -0.000 -26.798 12.048) 29.382 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 4.861 19.327 10.899) 22.715 1.245 ( 5.512 9.655 30.319) 32.293 1.526 ( 12.229 5.671 -11.981) 18.035 1.848 ( 12.889 21.055 13.489) 28.132 1.945 ( 7.323 22.350 2.436) 23.645 2.482 ( -2.792 2.467 3.724) 5.267 2.902 ( 18.102 12.941 3.690) 22.556 3.149 ( 1.399 1.652 -24.524) 24.619 4.039 ( 1.390 0.364 0.264) 1.461 4.098 ( -0.854 3.674 -4.208) 5.651 4.730 ( -6.424 -10.338 2.411) 12.408 5.617 ( -11.065 -17.418 14.701) 25.337 9.624 ( -0.475 -2.284 -0.373) 2.363 10.096 ( 9.215 15.262 5.785) 18.744 10.562 ( -1.465 -1.409 0.226) 2.045 11.367 ( 11.119 20.120 -23.588) 32.937 18.251 ( -6.434 -11.040 -1.139) 12.829 20.099 ( -12.521 -21.496 13.489) 28.299 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 4.991 19.978 7.074) 21.773 1.444 ( 1.930 5.069 30.768) 31.243 1.799 ( 13.132 10.952 -9.824) 19.721 2.126 ( 6.021 10.106 -13.763) 18.106 2.435 ( 18.807 17.051 18.137) 31.199 2.475 ( -3.098 3.957 4.933) 7.042 3.166 ( 3.873 5.324 -18.385) 19.528 3.396 ( 24.873 7.899 -0.854) 26.111 4.057 ( -1.152 -1.869 -1.535) 2.679 4.115 ( 0.607 6.508 -0.318) 6.544 4.571 ( -3.288 -2.586 0.273) 4.192 5.310 ( -11.604 -11.995 10.120) 19.518 9.582 ( -2.079 -1.699 -0.442) 2.721 10.413 ( 10.442 10.271 7.493) 16.452 10.521 ( -2.001 -0.535 0.521) 2.136 11.606 ( 7.392 8.065 -17.730) 20.834 18.028 ( -7.676 -8.764 -1.960) 11.814 19.736 ( -12.805 -14.805 9.175) 21.618 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.163 3.686 23.227) 23.519 1.631 ( 2.279 19.229 3.506) 19.678 2.105 ( 10.830 14.793 -8.568) 20.237 2.228 ( 4.788 0.513 -12.137) 13.058 2.480 ( -3.678 6.228 6.196) 9.524 2.871 ( 13.300 9.820 10.105) 19.376 3.263 ( 4.680 4.992 -10.598) 12.615 3.760 ( 14.624 -4.677 -6.133) 16.533 3.956 ( -3.629 -6.398 0.708) 7.390 4.246 ( 0.964 11.897 1.971) 12.097 4.638 ( 9.585 6.076 2.895) 11.712 5.106 ( -2.997 -2.900 3.270) 5.300 9.524 ( -3.434 -0.573 -0.406) 3.505 10.460 ( -2.946 -0.650 0.354) 3.037 10.678 ( 8.234 5.584 6.878) 12.095 11.699 ( 3.187 1.119 -10.879) 11.391 17.833 ( -6.425 -6.111 -1.752) 9.039 19.440 ( -10.332 -10.121 4.556) 15.164 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -0.836 2.476 12.831) 13.094 1.825 ( -0.970 17.919 0.275) 17.947 2.252 ( 5.059 -3.374 -8.789) 10.687 2.404 ( 8.692 13.647 -5.804) 17.189 2.504 ( -4.379 9.858 7.616) 13.204 3.128 ( 7.453 5.594 4.026) 10.151 3.326 ( 1.267 1.442 -5.782) 6.092 3.715 ( -6.247 -7.009 -3.406) 9.988 3.929 ( 5.575 -8.869 -0.228) 10.479 4.258 ( -8.420 4.744 -0.415) 9.673 4.956 ( 16.561 7.804 6.919) 19.571 5.260 ( 15.362 9.370 -1.555) 18.061 9.459 ( -4.274 0.832 -0.296) 4.364 10.405 ( -3.490 0.407 0.220) 3.520 10.836 ( 5.455 0.858 5.416) 7.735 11.699 ( 0.664 -2.787 -6.383) 6.996 17.692 ( -4.477 -3.856 -0.865) 5.972 19.218 ( -7.518 -6.817 1.517) 10.261 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -1.255 1.100 1.724) 2.399 1.946 ( -3.688 16.014 -2.155) 16.574 2.292 ( 6.430 -5.648 -0.724) 8.588 2.532 ( -2.289 8.373 5.027) 10.031 2.660 ( 3.279 16.521 -1.928) 16.953 3.244 ( 0.708 0.811 3.799) 3.949 3.335 ( 1.469 1.301 -8.072) 8.307 3.518 ( -7.920 -6.842 -0.183) 10.467 3.885 ( -0.982 -6.809 -2.195) 7.221 4.163 ( -6.068 4.042 -0.812) 7.336 5.323 ( 16.352 6.309 6.551) 18.711 5.636 ( 17.283 7.776 -1.469) 19.009 9.400 ( -4.459 2.259 -0.161) 5.001 10.356 ( -3.430 1.571 0.114) 3.775 10.911 ( 3.416 -2.474 4.434) 6.119 11.653 ( 0.041 -4.593 -4.234) 6.246 17.604 ( -2.602 -2.178 0.038) 3.393 19.064 ( -4.848 -4.356 -0.186) 6.520 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.109 0.310 -8.428) 8.434 2.007 ( -5.362 14.188 -3.228) 15.507 2.340 ( 4.866 -6.293 5.398) 9.614 2.603 ( -1.174 9.704 7.816) 12.515 2.829 ( 0.097 13.404 -2.037) 13.558 3.183 ( -8.008 -3.954 0.482) 8.944 3.288 ( -2.493 -2.379 -3.816) 5.141 3.430 ( 1.133 0.922 -2.515) 2.908 3.799 ( -2.854 -1.518 -3.294) 4.615 4.126 ( -2.992 2.950 -0.095) 4.203 5.617 ( 11.235 2.469 6.457) 13.191 5.922 ( 11.048 2.180 -1.583) 11.371 9.357 ( -3.935 3.497 -0.041) 5.265 10.324 ( -2.822 2.652 0.022) 3.873 10.934 ( 2.285 -4.429 4.098) 6.453 11.606 ( 1.219 -4.696 -3.534) 6.002 17.561 ( -0.984 -0.998 0.601) 1.525 18.971 ( -2.344 -2.404 -0.989) 3.500 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -0.000 18.954 11.279) 22.056 1.389 ( -0.000 12.915 28.144) 30.966 1.429 ( 0.000 6.364 -10.930) 12.648 1.990 ( 0.000 21.263 2.080) 21.364 2.126 ( 0.000 22.743 8.966) 24.447 2.526 ( 0.000 0.992 0.091) 0.997 2.924 ( -0.000 19.486 9.966) 21.886 3.111 ( 0.000 4.884 -22.855) 23.371 4.030 ( -0.000 0.374 0.656) 0.755 4.132 ( 0.000 3.641 -4.941) 6.138 4.683 ( -0.000 -9.454 0.393) 9.462 5.558 ( -0.000 -18.976 11.858) 22.376 9.598 ( -0.000 -3.052 0.123) 3.055 10.205 ( 0.000 18.433 6.612) 19.583 10.554 ( -0.000 -2.461 -0.125) 2.464 11.430 ( 0.000 19.593 -20.907) 28.653 18.182 ( -0.000 -12.801 -1.336) 12.870 20.005 ( -0.000 -23.577 11.221) 26.111 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 5.959 18.783 10.546) 22.350 1.564 ( 0.622 9.748 23.540) 25.486 1.616 ( 14.110 8.617 -6.560) 17.787 2.141 ( 1.309 9.606 -16.642) 19.260 2.433 ( 7.712 19.699 17.820) 27.660 2.554 ( 1.240 3.627 0.895) 3.936 3.140 ( 1.847 8.774 -18.810) 20.838 3.218 ( 8.520 16.398 9.474) 20.767 4.045 ( 0.410 -0.652 0.031) 0.771 4.149 ( 0.844 3.236 -2.597) 4.234 4.601 ( -2.327 -0.549 -1.717) 2.943 5.353 ( -6.403 -15.276 7.635) 18.238 9.573 ( 0.361 -2.973 0.087) 2.996 10.428 ( 4.031 14.491 7.051) 16.612 10.528 ( -0.055 -1.857 0.135) 1.863 11.571 ( 3.059 11.060 -16.022) 19.707 18.025 ( -3.884 -11.014 -1.722) 11.805 19.756 ( -6.606 -19.022 7.853) 21.614 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -1.470 5.964 22.582) 23.403 1.805 ( 4.147 20.571 5.948) 21.811 1.967 ( 17.277 10.025 -6.459) 20.993 2.162 ( 0.654 1.549 -17.574) 17.654 2.630 ( 0.053 9.300 2.591) 9.655 2.796 ( 10.983 12.709 12.626) 21.014 3.234 ( 3.133 8.344 -11.367) 14.444 3.488 ( 10.032 2.190 2.142) 10.489 3.971 ( -4.350 -5.896 -1.652) 7.511 4.283 ( 7.184 7.740 4.451) 11.460 4.622 ( 0.685 9.480 -3.027) 9.975 5.141 ( -5.288 -7.228 2.899) 9.413 9.550 ( -0.486 -1.483 -0.113) 1.565 10.487 ( -0.989 -1.133 0.199) 1.517 10.648 ( 4.691 8.227 6.057) 11.242 11.648 ( 1.777 3.080 -10.066) 10.676 17.855 ( -4.699 -7.966 -1.573) 9.382 19.490 ( -7.802 -13.673 4.266) 16.310 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -3.151 3.948 14.657) 15.502 2.045 ( 0.920 18.017 2.562) 18.222 2.134 ( 0.904 -0.700 -11.447) 11.504 2.318 ( 13.866 10.029 -5.405) 17.946 2.737 ( -3.091 16.386 5.109) 17.440 3.075 ( 7.832 7.735 5.729) 12.410 3.317 ( 1.060 4.347 -5.566) 7.141 3.605 ( 7.856 -8.265 -4.201) 12.152 3.832 ( -3.428 -6.330 0.609) 7.225 4.409 ( -2.857 3.157 2.387) 4.881 4.805 ( 10.572 9.994 1.922) 14.675 5.149 ( 7.185 7.153 -0.601) 10.156 9.527 ( -1.985 1.030 -0.210) 2.246 10.460 ( -1.900 0.444 0.149) 1.957 10.778 ( 3.629 1.798 4.436) 6.006 11.645 ( 0.163 -2.714 -5.595) 6.221 17.717 ( -3.905 -5.160 -0.901) 6.533 19.264 ( -6.716 -9.383 1.676) 11.660 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -4.346 2.185 5.702) 7.495 2.119 ( 4.676 -5.681 -5.123) 8.966 2.210 ( -3.955 19.459 0.402) 19.861 2.578 ( 7.095 8.768 -1.177) 11.340 2.866 ( -3.777 19.868 4.366) 20.690 3.237 ( 3.513 3.902 3.138) 6.117 3.323 ( -0.943 1.328 -5.674) 5.903 3.541 ( -3.089 -8.898 -3.365) 10.002 3.793 ( 3.611 -4.364 -0.244) 5.669 4.329 ( -8.007 4.050 -1.342) 9.072 5.123 ( 15.583 6.212 5.812) 17.754 5.433 ( 14.825 8.715 -1.470) 17.259 9.504 ( -3.575 3.854 -0.202) 5.260 10.435 ( -2.850 2.566 0.118) 3.837 10.831 ( 2.992 -3.601 3.331) 5.746 11.587 ( -0.232 -6.403 -3.306) 7.210 17.623 ( -2.615 -3.063 -0.143) 4.030 19.095 ( -4.896 -6.180 0.143) 7.886 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -4.568 0.765 -3.483) 5.795 2.147 ( 5.103 -5.038 1.888) 7.415 2.305 ( -4.932 16.133 -1.253) 16.917 2.728 ( 0.913 9.500 2.899) 9.975 2.993 ( -2.736 15.172 1.286) 15.470 3.254 ( -2.170 -1.171 3.170) 4.017 3.302 ( -3.816 -1.849 -5.988) 7.338 3.425 ( -0.608 -0.405 -1.527) 1.693 3.812 ( 0.484 1.436 -2.906) 3.277 4.254 ( -6.842 6.575 -1.468) 9.602 5.433 ( 14.510 1.686 6.811) 16.117 5.728 ( 13.403 2.509 -1.946) 13.774 9.482 ( -4.775 6.303 -0.158) 7.909 10.416 ( -3.472 4.494 0.068) 5.679 10.835 ( 3.174 -7.219 3.075) 8.464 11.514 ( 1.093 -8.072 -2.629) 8.560 17.568 ( -1.314 -1.659 0.388) 2.152 18.983 ( -2.853 -3.751 -0.640) 4.756 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.000 7.287 -6.241) 9.594 1.643 ( -0.000 18.843 8.370) 20.618 1.727 ( -0.000 9.569 22.452) 24.406 2.151 ( 0.000 2.898 -18.381) 18.608 2.537 ( 0.000 0.850 -2.923) 3.044 2.604 ( -0.000 18.014 15.458) 23.737 3.184 ( 0.000 10.564 -13.928) 17.482 3.395 ( -0.000 20.292 14.225) 24.781 4.046 ( -0.000 0.750 1.141) 1.365 4.132 ( 0.000 -2.328 -2.897) 3.717 4.648 ( 0.000 8.787 -3.887) 9.608 5.274 ( -0.000 -13.715 3.538) 14.164 9.533 ( -0.000 -3.745 0.523) 3.781 10.496 ( -0.000 -3.331 -0.429) 3.358 10.565 ( -0.000 14.802 6.516) 16.173 11.616 ( 0.000 8.821 -12.287) 15.126 17.946 ( -0.000 -10.661 -1.637) 10.786 19.641 ( -0.000 -18.430 5.570) 19.253 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 15.511 7.350 -4.301) 17.695 1.822 ( -1.711 7.410 16.060) 17.770 1.918 ( 6.443 15.527 4.016) 17.283 2.125 ( 0.726 1.285 -13.622) 13.701 2.598 ( 7.004 2.453 -4.160) 8.508 2.829 ( 4.348 13.474 12.121) 18.638 3.256 ( 0.899 7.658 -8.176) 11.238 3.551 ( -3.959 10.530 10.605) 15.461 3.985 ( -4.684 -4.491 -1.618) 6.687 4.203 ( 8.379 1.938 3.976) 9.475 4.755 ( -1.346 17.413 -5.554) 18.327 5.146 ( -2.719 -6.072 0.030) 6.653 9.513 ( 1.601 -3.273 0.442) 3.670 10.469 ( 0.642 -2.913 -0.366) 3.005 10.711 ( 0.598 10.352 4.806) 11.429 11.653 ( -0.440 3.829 -7.660) 8.575 17.829 ( -2.160 -8.438 -1.359) 8.815 19.456 ( -3.680 -14.854 3.231) 15.640 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -2.487 2.439 5.352) 6.386 2.005 ( 2.703 -0.480 -1.447) 3.104 2.115 ( 17.206 6.790 -6.528) 19.615 2.260 ( 3.074 17.276 2.614) 17.741 2.799 ( 11.591 7.766 -3.297) 14.337 3.051 ( 6.193 9.034 8.159) 13.658 3.317 ( 2.339 3.016 -4.658) 6.022 3.532 ( -5.981 0.681 5.180) 7.942 3.847 ( -5.039 -5.317 -1.352) 7.450 4.369 ( 7.685 -2.164 6.647) 10.389 4.877 ( -2.352 17.227 -6.642) 18.612 5.145 ( 2.503 8.613 -0.108) 8.970 9.524 ( 2.156 -1.279 0.179) 2.513 10.462 ( 1.107 -1.377 -0.169) 1.775 10.791 ( -0.642 4.370 2.788) 5.223 11.631 ( -2.102 -1.292 -3.799) 4.530 17.717 ( -2.626 -5.813 -0.836) 6.433 19.266 ( -4.664 -10.814 1.465) 11.867 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -2.948 0.442 1.626) 3.396 1.992 ( 0.944 -3.490 -1.568) 3.941 2.412 ( 4.545 10.151 0.146) 11.123 2.498 ( 9.447 13.873 -0.608) 16.795 3.050 ( 5.173 12.019 0.545) 13.096 3.228 ( 4.004 6.082 3.172) 7.942 3.378 ( 0.587 3.529 -2.259) 4.231 3.423 ( -1.077 -8.349 -0.712) 8.448 3.742 ( -1.482 -2.132 0.180) 2.602 4.426 ( 0.864 -0.787 1.958) 2.280 5.026 ( 4.744 12.125 -1.243) 13.079 5.342 ( 7.214 11.855 -0.163) 13.878 9.557 ( 1.244 2.046 -0.006) 2.395 10.476 ( 0.602 1.115 -0.020) 1.268 10.791 ( -1.261 -1.720 1.464) 2.587 11.546 ( -3.023 -5.583 -1.625) 6.554 17.630 ( -2.163 -3.634 -0.279) 4.239 19.107 ( -4.159 -7.368 0.376) 8.470 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -6.061 0.507 -0.734) 6.126 1.990 ( 4.881 -5.824 0.469) 7.613 2.532 ( -2.201 13.025 -0.180) 13.211 2.750 ( 6.641 8.743 0.257) 10.982 3.165 ( -2.544 6.922 1.797) 7.591 3.262 ( -2.447 -4.356 0.540) 5.025 3.339 ( -0.113 2.771 -1.370) 3.093 3.424 ( 0.239 0.175 -1.434) 1.464 3.803 ( 4.756 7.529 -1.253) 8.992 4.430 ( -4.037 7.620 -1.627) 8.776 5.239 ( 10.924 3.248 3.921) 12.053 5.565 ( 8.890 5.450 -1.091) 10.485 9.600 ( -0.969 6.081 -0.112) 6.158 10.499 ( -0.826 3.693 0.017) 3.784 10.738 ( -0.067 -6.674 1.226) 6.786 11.429 ( -1.994 -8.763 -1.007) 9.043 17.573 ( -1.361 -2.111 0.133) 2.515 18.990 ( -2.938 -4.652 -0.219) 5.506 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 6.709 -3.169) 7.420 1.882 ( 0.000 -1.596 -7.436) 7.606 2.024 ( -0.000 16.559 8.098) 18.433 2.129 ( -0.000 5.319 2.848) 6.033 2.531 ( 0.000 0.779 -5.856) 5.908 2.945 ( -0.000 11.816 10.068) 15.524 3.296 ( 0.000 4.532 -4.923) 6.692 3.687 ( -0.000 1.433 9.341) 9.450 4.067 ( -0.000 0.850 1.235) 1.499 4.078 ( -0.000 -2.307 3.454) 4.154 4.948 ( 0.000 21.756 -7.257) 22.935 5.138 ( 0.000 2.377 -1.539) 2.832 9.462 ( -0.000 -3.901 0.667) 3.957 10.427 ( -0.000 -3.563 -0.534) 3.603 10.816 ( 0.000 9.040 2.786) 9.460 11.677 ( 0.000 2.176 -4.391) 4.900 17.766 ( -0.000 -7.372 -1.071) 7.450 19.353 ( -0.000 -13.404 2.035) 13.558 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 2.959 -3.207 -9.829) 10.754 1.842 ( 13.874 3.589 -3.917) 14.856 2.121 ( -4.870 7.625 8.510) 12.420 2.322 ( 8.010 14.213 5.771) 17.305 2.613 ( 10.766 2.265 -7.208) 13.153 3.088 ( 2.351 8.916 8.323) 12.422 3.313 ( -0.002 1.046 -2.803) 2.992 3.645 ( -4.141 -4.551 5.897) 8.523 3.920 ( -8.239 -1.963 0.837) 8.511 4.213 ( 8.515 -3.842 4.953) 10.574 5.088 ( -3.234 17.425 -10.073) 20.385 5.239 ( 0.561 17.162 1.280) 17.219 9.453 ( 2.993 -3.180 0.503) 4.396 10.409 ( 1.986 -2.908 -0.407) 3.545 10.875 ( -2.235 5.460 0.693) 5.941 11.659 ( -2.486 -0.643 -1.417) 2.933 17.691 ( -1.147 -5.520 -0.715) 5.683 19.221 ( -2.127 -10.561 1.111) 10.830 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.520 -5.739 -6.966) 9.370 2.079 ( -5.659 3.748 6.340) 9.288 2.217 ( 18.223 5.414 -1.539) 19.073 2.566 ( 4.801 12.115 1.963) 13.178 2.901 ( 18.338 5.755 -5.294) 19.935 3.229 ( 3.782 6.046 5.701) 9.130 3.306 ( 0.374 -1.907 -1.108) 2.237 3.516 ( -6.206 -5.462 3.622) 9.026 3.790 ( -5.158 -0.235 0.464) 5.184 4.311 ( 7.930 -4.722 3.686) 9.939 5.171 ( -3.796 16.781 -7.537) 18.783 5.423 ( 0.310 16.967 1.461) 17.032 9.502 ( 5.192 -1.155 0.256) 5.325 10.436 ( 3.581 -1.207 -0.189) 3.784 10.846 ( -4.904 1.026 -0.741) 5.065 11.573 ( -5.170 -3.510 0.415) 6.263 17.624 ( -1.406 -3.676 -0.383) 3.954 19.094 ( -2.823 -7.529 0.546) 8.060 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 -5.921 -10.399) 11.966 1.742 ( 0.000 5.185 -0.168) 5.188 2.310 ( -0.000 8.497 5.163) 9.943 2.345 ( -0.000 12.212 8.178) 14.698 2.515 ( 0.000 1.498 -8.493) 8.624 3.169 ( -0.000 7.308 7.481) 10.459 3.309 ( 0.000 -0.872 -1.751) 1.956 3.616 ( -0.000 -8.611 2.719) 9.030 3.997 ( -0.000 -8.926 5.436) 10.451 4.087 ( -0.000 0.555 0.831) 0.999 5.253 ( 0.000 17.193 -9.216) 19.508 5.440 ( 0.000 21.886 1.066) 21.912 9.393 ( -0.000 -3.499 0.500) 3.535 10.359 ( -0.000 -3.080 -0.399) 3.106 10.944 ( 0.000 4.243 -1.289) 4.435 11.674 ( -0.000 -1.237 0.796) 1.471 17.650 ( -0.000 -4.485 -0.582) 4.522 19.146 ( -0.000 -8.923 0.846) 8.963 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 1.273 -4.807 -3.900) 6.320 1.933 ( 15.706 4.101 1.310) 16.286 2.281 ( -8.144 5.660 2.388) 10.201 2.553 ( 7.304 5.552 -0.449) 9.186 2.662 ( 14.294 8.220 -2.889) 16.740 3.252 ( 1.259 3.836 4.483) 6.034 3.291 ( -0.272 -1.615 1.146) 1.999 3.513 ( -2.238 -9.085 1.106) 9.421 3.866 ( -4.811 -4.761 3.062) 7.429 4.154 ( 6.148 -2.657 1.743) 6.921 5.375 ( -2.826 16.839 -7.840) 18.788 5.626 ( -2.073 18.853 1.403) 19.018 9.398 ( 4.206 -2.660 0.302) 4.986 10.358 ( 3.049 -2.242 -0.234) 3.792 10.937 ( -4.004 1.849 -2.607) 5.123 11.630 ( -3.849 -2.248 2.196) 4.969 17.606 ( -0.615 -3.175 -0.476) 3.269 19.061 ( -1.310 -6.646 0.719) 6.812 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -0.000 -2.111 2.902) 3.588 1.830 ( -0.000 3.421 2.247) 4.093 2.449 ( 0.000 -0.630 -5.311) 5.349 2.470 ( 0.000 7.467 -3.641) 8.308 2.623 ( 0.000 9.492 3.267) 10.038 3.244 ( 0.000 -3.601 -2.151) 4.195 3.303 ( -0.000 -0.449 8.267) 8.280 3.450 ( -0.000 -6.348 -0.465) 6.365 3.850 ( -0.000 -7.188 3.936) 8.195 4.094 ( -0.000 -0.015 0.141) 0.142 5.536 ( 0.000 14.795 -6.891) 16.321 5.820 ( 0.000 15.956 1.225) 16.003 9.336 ( -0.000 -2.543 0.171) 2.549 10.309 ( -0.000 -1.988 -0.139) 1.993 10.980 ( 0.000 1.084 -3.766) 3.919 11.652 ( -0.000 -1.738 3.275) 3.708 17.583 ( -0.000 -2.318 -0.560) 2.384 19.017 ( -0.000 -5.062 0.894) 5.141 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.000 0.000 17.346) 17.346 0.687 ( -0.000 0.000 17.346) 17.346 1.354 ( 0.000 -0.000 -14.337) 14.337 1.354 ( 0.000 -0.000 -14.337) 14.337 1.496 ( -0.000 0.000 58.756) 58.756 2.483 ( -0.000 0.000 3.363) 3.363 2.483 ( -0.000 0.000 3.363) 3.363 3.140 ( 0.000 -0.000 -29.713) 29.713 4.030 ( 0.000 -0.000 -0.119) 0.119 4.030 ( 0.000 -0.000 -0.119) 0.119 5.043 ( -0.000 0.000 4.802) 4.802 6.213 ( 0.000 -0.000 -1.453) 1.453 9.666 ( 0.000 -0.000 -0.479) 0.479 9.666 ( 0.000 -0.000 -0.479) 0.479 10.599 ( -0.000 0.000 0.339) 0.339 10.599 ( -0.000 0.000 0.339) 0.339 18.535 ( 0.000 -0.000 -0.081) 0.081 20.764 ( 0.000 -0.000 -0.110) 0.110 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 9.500 5.485 13.846) 17.665 1.074 ( 20.539 11.858 17.904) 29.716 1.421 ( 7.143 4.124 -13.802) 16.079 1.518 ( 16.993 9.811 -12.027) 23.015 1.723 ( 9.601 5.543 49.576) 50.800 2.469 ( -1.056 -0.610 3.840) 4.029 2.683 ( 16.011 9.244 0.737) 18.503 3.069 ( 0.569 0.328 -29.955) 29.962 4.038 ( 0.528 0.305 -0.311) 0.684 4.043 ( 1.176 0.679 -1.135) 1.770 4.915 ( -10.681 -6.167 1.698) 12.450 5.949 ( -18.630 -10.756 10.332) 23.865 9.654 ( -1.186 -0.685 -0.603) 1.496 9.858 ( 14.663 8.466 1.547) 17.002 10.583 ( -1.357 -0.784 0.441) 1.628 10.941 ( 24.123 13.928 -14.225) 31.278 18.420 ( -9.328 -5.385 -0.213) 10.773 20.484 ( -21.042 -12.148 8.201) 25.644 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 12.204 7.046 9.349) 16.911 1.439 ( 7.051 4.071 29.623) 30.721 1.598 ( 11.343 6.549 -12.064) 17.807 1.892 ( 16.412 9.475 -11.988) 22.424 2.187 ( 22.097 12.758 28.837) 38.505 2.456 ( -1.044 -0.603 4.311) 4.476 3.037 ( 4.804 2.774 -23.626) 24.268 3.162 ( 24.334 14.049 -6.035) 28.739 4.051 ( 0.695 0.401 -0.453) 0.921 4.064 ( 0.710 0.410 -0.828) 1.165 4.669 ( -9.827 -5.674 0.202) 11.349 5.565 ( -17.852 -10.307 11.779) 23.742 9.612 ( -2.410 -1.392 -0.660) 2.860 10.228 ( 16.403 9.470 5.766) 19.799 10.542 ( -2.315 -1.336 0.493) 2.718 11.375 ( 17.012 9.822 -17.868) 26.554 18.178 ( -11.290 -6.518 -1.026) 13.077 20.028 ( -20.550 -11.864 9.562) 25.583 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 10.659 6.154 5.428) 13.451 1.589 ( 1.306 0.754 28.298) 28.339 1.853 ( 13.609 7.857 -9.591) 18.409 2.139 ( 8.687 5.015 -12.040) 15.671 2.445 ( -0.828 -0.478 4.944) 5.036 2.704 ( 17.664 10.198 14.162) 24.831 3.132 ( 8.417 4.859 -15.821) 18.568 3.690 ( 20.567 11.874 -10.733) 26.062 4.060 ( -0.936 -0.540 3.599) 3.758 4.066 ( 0.752 0.434 -0.540) 1.023 4.570 ( 2.939 1.697 2.075) 3.977 5.235 ( -12.904 -7.450 7.020) 16.471 9.547 ( -3.218 -1.858 -0.631) 3.769 10.485 ( -2.907 -1.678 0.480) 3.390 10.567 ( 12.335 7.121 6.395) 15.613 11.611 ( 8.019 4.630 -11.953) 15.120 17.943 ( -9.326 -5.384 -1.408) 10.860 19.642 ( -15.771 -9.106 5.471) 19.015 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 7.903 4.563 1.909) 9.323 1.652 ( -0.584 -0.337 19.482) 19.494 2.139 ( 13.622 7.865 -7.361) 17.367 2.253 ( 4.895 2.826 -9.927) 11.423 2.443 ( -0.519 -0.300 5.907) 5.938 3.022 ( 10.263 5.926 2.478) 12.107 3.274 ( 4.906 2.832 -4.773) 7.407 3.805 ( -5.042 -2.911 -6.502) 8.728 4.081 ( 0.646 0.373 -0.539) 0.921 4.127 ( 2.509 1.448 -2.424) 3.777 4.820 ( 15.368 8.872 9.051) 19.920 5.126 ( 5.531 3.193 0.412) 6.400 9.471 ( -3.464 -2.000 -0.521) 4.034 10.419 ( -3.020 -1.744 0.403) 3.510 10.797 ( 7.337 4.236 5.099) 9.888 11.696 ( 2.109 1.217 -6.714) 7.142 17.765 ( -6.523 -3.766 -0.881) 7.584 19.353 ( -11.245 -6.492 2.063) 13.148 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -1.645 -0.950 8.568) 8.776 1.744 ( 5.211 3.009 -0.666) 6.054 2.342 ( 5.093 2.941 -4.032) 7.131 2.403 ( 10.752 6.208 -8.047) 14.795 2.453 ( 0.543 0.313 8.870) 8.892 3.202 ( 5.958 3.440 -0.924) 6.941 3.311 ( 0.033 0.019 -3.177) 3.177 3.633 ( -8.601 -4.966 -1.729) 10.081 4.031 ( -8.087 -4.669 -4.023) 10.168 4.091 ( 0.364 0.210 -0.411) 0.588 5.189 ( 15.956 9.212 8.386) 20.243 5.449 ( 18.752 10.826 -1.404) 21.698 9.396 ( -3.105 -1.793 -0.356) 3.604 10.357 ( -2.609 -1.506 0.281) 3.026 10.925 ( 3.443 1.988 4.062) 5.684 11.692 ( -0.956 -0.552 -4.076) 4.223 17.648 ( -4.001 -2.310 -0.055) 4.620 19.149 ( -7.516 -4.339 0.080) 8.679 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.000 14.059 13.552) 19.527 1.072 ( -0.000 24.591 15.591) 29.117 1.303 ( 0.000 3.506 -12.446) 12.930 1.552 ( 0.000 21.952 -12.324) 25.175 1.848 ( -0.000 9.402 49.788) 50.668 2.512 ( -0.000 0.687 1.262) 1.437 2.626 ( 0.000 12.782 4.069) 13.414 2.994 ( 0.000 0.911 -31.633) 31.647 4.027 ( -0.000 0.073 0.290) 0.299 4.058 ( 0.000 2.635 -1.848) 3.219 4.918 ( -0.000 -12.256 0.281) 12.259 5.976 ( -0.000 -19.855 8.778) 21.709 9.645 ( -0.000 -1.771 -0.090) 1.773 9.862 ( 0.000 17.025 1.436) 17.085 10.590 ( -0.000 -1.252 0.042) 1.253 10.912 ( 0.000 26.447 -11.783) 28.953 18.419 ( -0.000 -10.800 -0.186) 10.802 20.502 ( -0.000 -23.161 6.545) 24.068 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 3.885 18.444 10.999) 21.823 1.419 ( 9.612 10.552 9.060) 16.907 1.452 ( 11.521 8.988 1.038) 14.649 1.800 ( 6.795 20.129 -13.279) 25.053 2.138 ( 9.128 14.839 37.053) 40.944 2.504 ( -1.736 1.983 2.424) 3.581 2.920 ( 16.126 14.301 -0.353) 21.557 2.958 ( 1.936 4.807 -27.481) 27.965 4.043 ( 1.405 0.596 0.667) 1.666 4.074 ( -0.628 2.763 -2.588) 3.838 4.734 ( -6.488 -10.657 -0.611) 12.491 5.705 ( -10.900 -17.837 9.621) 23.011 9.622 ( -0.664 -2.137 -0.251) 2.252 10.133 ( 9.914 16.693 4.394) 19.906 10.564 ( -1.321 -1.527 0.152) 2.025 11.229 ( 10.894 19.466 -14.940) 26.848 18.244 ( -6.640 -11.433 -0.612) 13.235 20.174 ( -12.423 -21.405 7.770) 25.940 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 3.653 19.358 7.931) 21.236 1.644 ( 3.309 4.394 22.388) 23.054 1.734 ( 12.114 11.438 -5.876) 17.667 2.025 ( 6.894 8.462 -14.616) 18.241 2.507 ( -2.264 4.082 4.094) 6.208 2.574 ( 15.342 13.724 19.728) 28.512 3.025 ( 6.346 8.428 -20.223) 22.809 3.377 ( 21.885 9.778 -4.259) 24.345 4.049 ( -1.500 -2.157 -0.782) 2.742 4.117 ( 2.157 6.953 0.793) 7.323 4.571 ( -2.721 -2.924 -0.073) 3.995 5.370 ( -12.317 -13.514 6.439) 19.386 9.579 ( -2.178 -1.577 -0.456) 2.727 10.458 ( 9.868 9.654 4.864) 14.637 10.525 ( -1.202 0.253 0.727) 1.427 11.502 ( 8.525 9.237 -10.916) 16.648 18.018 ( -7.800 -8.952 -1.005) 11.916 19.787 ( -13.543 -15.659 5.085) 21.319 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 1.038 18.460 4.196) 18.959 1.729 ( -1.898 1.531 21.784) 21.920 2.038 ( 10.271 13.734 -10.483) 20.100 2.144 ( 7.382 1.699 -10.982) 13.341 2.524 ( -3.318 6.785 6.010) 9.652 2.925 ( 10.338 8.678 3.555) 13.958 3.201 ( 7.204 6.602 -5.265) 11.099 3.703 ( 12.624 -2.626 -9.577) 16.061 3.964 ( -2.004 -6.689 1.326) 7.108 4.247 ( -0.299 11.803 -1.426) 11.892 4.669 ( 12.370 6.273 5.546) 14.937 5.128 ( -4.494 -4.664 2.585) 6.974 9.520 ( -3.455 -0.475 -0.507) 3.524 10.463 ( -2.972 -0.731 0.417) 3.089 10.718 ( 8.151 5.409 3.949) 10.549 11.639 ( 4.111 2.013 -5.793) 7.383 17.824 ( -6.331 -6.075 -0.728) 8.804 19.464 ( -11.000 -10.709 2.078) 15.492 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -3.745 -0.160 13.481) 13.992 1.830 ( -2.119 17.496 0.989) 17.652 2.186 ( 7.573 -1.754 -9.520) 12.290 2.363 ( 8.601 13.425 -5.732) 16.943 2.559 ( -3.991 10.344 7.765) 13.535 3.133 ( 6.763 6.065 -3.192) 9.629 3.302 ( 1.293 1.020 -0.490) 1.719 3.685 ( -4.080 -6.536 -5.087) 9.233 3.925 ( 4.212 -8.544 -0.735) 9.554 4.244 ( -8.348 5.275 -3.497) 10.476 5.016 ( 16.580 6.670 9.614) 20.293 5.249 ( 15.033 9.231 -1.435) 17.699 9.457 ( -4.246 0.910 -0.439) 4.365 10.407 ( -3.512 0.340 0.343) 3.545 10.867 ( 5.468 0.693 2.848) 6.204 11.665 ( 0.999 -2.371 -2.977) 3.934 17.689 ( -4.290 -3.760 -0.076) 5.705 19.225 ( -7.950 -7.102 0.212) 10.663 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 17.195 2.918) 17.441 1.369 ( 0.000 8.317 -1.802) 8.510 1.559 ( -0.000 15.773 19.753) 25.278 1.916 ( 0.000 17.971 -15.428) 23.685 2.305 ( -0.000 16.355 32.469) 36.356 2.521 ( 0.000 0.303 -1.374) 1.408 2.908 ( 0.000 11.072 -24.378) 26.775 3.015 ( 0.000 19.784 5.958) 20.662 4.036 ( -0.000 0.531 0.816) 0.973 4.102 ( 0.000 3.044 -3.652) 4.754 4.678 ( -0.000 -10.025 -1.396) 10.121 5.625 ( -0.000 -20.160 6.597) 21.212 9.599 ( -0.000 -2.949 0.381) 2.974 10.246 ( 0.000 19.552 4.653) 20.098 10.552 ( -0.000 -2.540 -0.315) 2.560 11.310 ( 0.000 19.848 -12.474) 23.442 18.175 ( -0.000 -13.194 -0.699) 13.213 20.066 ( -0.000 -23.976 5.940) 24.701 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 14.518 10.736 -8.808) 20.090 1.571 ( 5.177 17.940 9.960) 21.163 1.743 ( 1.229 8.196 20.833) 22.421 2.015 ( 1.108 8.241 -18.287) 20.089 2.540 ( 3.437 4.389 2.434) 6.083 2.589 ( 5.708 12.984 16.855) 22.028 3.001 ( 3.219 13.622 -19.169) 23.735 3.283 ( 4.834 18.585 8.448) 20.979 4.045 ( -0.508 -1.401 -0.030) 1.491 4.134 ( 2.624 4.763 -1.680) 5.691 4.586 ( -2.131 -1.711 -2.145) 3.474 5.393 ( -6.462 -17.012 3.387) 18.511 9.574 ( 0.157 -2.851 0.261) 2.868 10.468 ( 3.552 13.463 3.713) 14.410 10.529 ( 0.587 -0.747 0.249) 0.982 11.482 ( 3.574 12.293 -8.349) 15.284 18.016 ( -3.925 -11.225 -0.802) 11.919 19.797 ( -6.877 -19.810 3.649) 21.284 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.448 6.192 10.184) 11.927 1.858 ( 2.826 17.236 11.127) 20.710 1.926 ( 15.647 10.479 -4.889) 19.457 2.040 ( 1.526 2.431 -14.674) 14.952 2.642 ( 2.621 7.691 0.926) 8.178 2.873 ( 8.342 11.221 7.134) 15.697 3.164 ( 5.025 10.736 -6.627) 13.580 3.498 ( 5.608 4.337 0.625) 7.117 3.963 ( -3.895 -6.113 -0.606) 7.274 4.306 ( 6.940 9.985 1.736) 12.284 4.606 ( 2.480 7.577 -1.328) 8.083 5.156 ( -5.447 -8.773 1.090) 10.384 9.550 ( -0.656 -1.363 -0.040) 1.513 10.488 ( -0.882 -1.327 0.055) 1.594 10.679 ( 4.626 8.057 2.378) 9.590 11.598 ( 2.346 4.061 -3.762) 6.013 17.848 ( -4.643 -7.982 -0.533) 9.250 19.510 ( -8.167 -14.202 1.470) 16.448 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -3.549 0.666 10.811) 11.398 2.040 ( 4.486 -1.576 -8.188) 9.469 2.081 ( -2.956 20.713 1.836) 21.003 2.285 ( 14.162 10.880 -4.125) 18.329 2.771 ( -1.349 15.125 4.480) 15.832 3.091 ( 5.837 8.474 -1.940) 10.471 3.296 ( 1.853 4.268 0.278) 4.661 3.570 ( 5.543 -6.722 -5.289) 10.192 3.838 ( -2.467 -6.598 1.096) 7.129 4.406 ( -4.982 4.735 -3.116) 7.547 4.833 ( 13.902 7.859 5.453) 16.875 5.145 ( 6.614 6.727 -0.302) 9.438 9.526 ( -2.070 1.127 -0.213) 2.367 10.461 ( -1.837 0.353 0.171) 1.878 10.798 ( 3.730 1.552 1.014) 4.165 11.621 ( 0.324 -2.237 -1.090) 2.509 17.714 ( -3.776 -5.119 -0.032) 6.361 19.271 ( -7.011 -9.599 0.110) 11.887 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 9.040 -6.912) 11.380 1.710 ( -0.000 17.765 10.003) 20.387 1.848 ( -0.000 5.196 7.389) 9.033 2.032 ( 0.000 5.448 -11.043) 12.313 2.512 ( 0.000 0.086 -4.039) 4.040 2.718 ( -0.000 14.257 15.050) 20.731 3.084 ( 0.000 15.405 -12.516) 19.849 3.499 ( -0.000 20.387 14.660) 25.111 4.054 ( -0.000 0.836 1.113) 1.392 4.110 ( 0.000 -1.019 -3.152) 3.312 4.618 ( 0.000 7.438 -4.333) 8.607 5.287 ( -0.000 -15.476 0.075) 15.476 9.537 ( -0.000 -3.699 0.677) 3.761 10.493 ( -0.000 -3.366 -0.538) 3.408 10.598 ( 0.000 14.549 2.635) 14.786 11.554 ( 0.000 10.094 -4.728) 11.146 17.938 ( -0.000 -10.776 -0.639) 10.795 19.668 ( -0.000 -19.040 1.947) 19.140 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 15.620 8.724 -4.611) 18.476 1.859 ( 0.996 -1.198 -11.465) 11.570 1.957 ( 4.589 14.473 11.137) 18.830 2.085 ( 0.028 9.132 3.568) 9.804 2.564 ( 7.412 1.390 -5.261) 9.195 2.906 ( 3.611 11.916 8.289) 14.958 3.203 ( 1.375 10.354 -5.355) 11.737 3.629 ( -6.148 9.793 10.874) 15.873 3.974 ( -4.997 -4.601 -1.556) 6.968 4.230 ( 9.766 3.837 3.260) 10.988 4.712 ( -1.282 16.120 -6.328) 17.365 5.142 ( -2.382 -6.958 -1.287) 7.466 9.517 ( 1.450 -3.235 0.518) 3.583 10.466 ( 0.756 -2.948 -0.425) 3.073 10.731 ( 0.562 9.904 0.556) 9.936 11.621 ( -0.243 4.747 -1.104) 4.880 17.823 ( -2.124 -8.461 -0.331) 8.729 19.469 ( -3.800 -15.169 0.612) 15.650 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.000 7.883 -2.618) 8.306 1.786 ( 0.000 -3.561 -17.478) 17.837 2.083 ( -0.000 16.265 8.207) 18.219 2.182 ( -0.000 7.130 9.810) 12.128 2.488 ( 0.000 -0.020 -6.337) 6.337 3.007 ( -0.000 10.996 6.304) 12.675 3.266 ( 0.000 6.080 -2.437) 6.550 3.752 ( -0.000 -2.192 8.489) 8.768 4.075 ( -0.000 0.814 0.961) 1.260 4.104 ( -0.000 0.482 3.741) 3.772 4.888 ( 0.000 19.684 -9.386) 21.807 5.130 ( 0.000 3.974 -0.759) 4.046 9.467 ( -0.000 -3.936 0.651) 3.989 10.423 ( -0.000 -3.536 -0.514) 3.573 10.821 ( 0.000 8.538 -1.430) 8.657 11.666 ( -0.000 2.828 1.431) 3.170 17.762 ( -0.000 -7.405 -0.106) 7.406 19.361 ( -0.000 -13.463 -0.009) 13.463 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -0.000 0.000 15.079) 15.079 0.803 ( -0.000 0.000 15.079) 15.079 1.254 ( 0.000 -0.000 -13.440) 13.440 1.254 ( 0.000 -0.000 -13.440) 13.440 1.906 ( -0.000 0.000 55.887) 55.887 2.503 ( -0.000 0.000 2.119) 2.119 2.503 ( -0.000 0.000 2.119) 2.119 2.907 ( 0.000 -0.000 -36.014) 36.014 4.029 ( 0.000 -0.000 -0.077) 0.077 4.029 ( 0.000 -0.000 -0.077) 0.077 5.055 ( 0.000 -0.000 -0.562) 0.562 6.214 ( -0.000 0.000 1.257) 1.257 9.663 ( 0.000 -0.000 -0.324) 0.324 9.663 ( 0.000 -0.000 -0.324) 0.324 10.601 ( -0.000 0.000 0.228) 0.228 10.601 ( -0.000 0.000 0.228) 0.228 18.535 ( 0.000 -0.000 -0.067) 0.067 20.764 ( 0.000 -0.000 -0.071) 0.071 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 8.325 4.807 12.981) 16.153 1.186 ( 22.631 13.066 13.352) 29.346 1.324 ( 7.397 4.271 -13.337) 15.837 1.430 ( 17.356 10.021 -11.238) 22.977 2.084 ( 5.117 2.954 49.974) 50.322 2.493 ( -0.758 -0.438 2.848) 2.979 2.684 ( 15.054 8.691 -0.573) 17.392 2.833 ( 1.636 0.945 -36.381) 36.430 4.036 ( 0.461 0.266 -0.413) 0.673 4.039 ( 0.947 0.547 -0.072) 1.096 4.915 ( -10.724 -6.191 -0.973) 12.421 6.008 ( -16.157 -9.328 6.163) 19.648 9.650 ( -1.239 -0.715 -0.535) 1.527 9.867 ( 15.942 9.204 0.895) 18.430 10.586 ( -1.315 -0.759 0.399) 1.570 10.867 ( 19.920 11.501 -7.007) 24.045 18.419 ( -9.447 -5.454 -0.105) 10.909 20.526 ( -18.759 -10.830 3.905) 22.010 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 10.937 6.315 10.096) 16.169 1.511 ( 12.003 6.930 -12.438) 18.623 1.620 ( 10.502 6.063 20.805) 24.081 1.808 ( 16.280 9.399 -10.871) 21.715 2.407 ( 15.004 8.663 31.042) 35.550 2.484 ( -0.738 -0.426 3.663) 3.760 2.842 ( 7.212 4.164 -29.159) 30.325 3.121 ( 23.583 13.615 -6.191) 27.926 4.047 ( 0.661 0.382 -0.696) 1.033 4.066 ( 1.270 0.733 1.295) 1.956 4.667 ( -9.556 -5.517 -0.252) 11.037 5.629 ( -18.172 -10.491 6.097) 21.851 9.607 ( -2.426 -1.401 -0.676) 2.882 10.260 ( 17.252 9.960 2.994) 20.144 10.546 ( -2.301 -1.328 0.518) 2.707 11.280 ( 17.060 9.850 -8.489) 21.450 18.173 ( -11.532 -6.658 -0.407) 13.322 20.077 ( -20.788 -12.002 4.325) 24.390 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 9.291 5.364 6.318) 12.450 1.774 ( 0.325 0.187 22.401) 22.404 1.782 ( 14.495 8.369 -10.137) 19.568 2.053 ( 8.679 5.011 -11.432) 15.203 2.480 ( -0.470 -0.271 4.756) 4.787 2.775 ( 12.585 7.266 2.373) 14.724 3.046 ( 13.360 7.714 -4.850) 16.171 3.601 ( 18.675 10.782 -13.663) 25.528 4.061 ( 0.759 0.438 -0.897) 1.254 4.087 ( -0.278 -0.160 3.592) 3.606 4.589 ( 4.763 2.750 3.443) 6.489 5.274 ( -13.765 -7.947 3.750) 16.330 9.542 ( -3.194 -1.844 -0.716) 3.758 10.489 ( -2.923 -1.688 0.557) 3.421 10.599 ( 12.416 7.168 2.438) 14.543 11.552 ( 8.889 5.132 -4.267) 11.115 17.937 ( -9.365 -5.407 -0.376) 10.820 19.668 ( -16.424 -9.482 1.823) 19.052 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -0.000 12.502 7.109) 14.382 1.174 ( -0.000 25.452 12.832) 28.504 1.230 ( 0.000 4.817 -6.216) 7.864 1.458 ( 0.000 22.235 -12.967) 25.740 2.204 ( -0.000 4.940 48.419) 48.670 2.516 ( 0.000 0.130 -0.203) 0.241 2.646 ( 0.000 12.661 -0.210) 12.663 2.751 ( 0.000 4.042 -34.789) 35.023 4.030 ( -0.000 0.239 0.407) 0.472 4.047 ( 0.000 1.788 -1.137) 2.119 4.913 ( -0.000 -12.253 -1.028) 12.296 6.023 ( -0.000 -17.884 4.266) 18.385 9.645 ( -0.000 -1.650 0.156) 1.657 9.869 ( 0.000 18.480 0.629) 18.491 10.590 ( -0.000 -1.347 -0.136) 1.354 10.853 ( 0.000 22.255 -4.987) 22.807 18.418 ( -0.000 -10.917 -0.087) 10.918 20.535 ( -0.000 -21.102 2.673) 21.271 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 5.077 17.267 7.591) 19.533 1.364 ( 9.999 7.999 -7.724) 14.954 1.564 ( 11.544 15.815 14.414) 24.314 1.704 ( 7.188 18.556 -12.396) 23.445 2.405 ( 5.119 8.217 34.355) 35.693 2.515 ( -0.367 1.334 0.407) 1.442 2.730 ( 4.644 7.507 -30.368) 31.625 2.934 ( 12.078 17.288 0.634) 21.098 4.049 ( 1.645 0.897 1.086) 2.165 4.059 ( -0.403 1.943 -1.640) 2.574 4.728 ( -6.324 -10.737 -0.591) 12.475 5.751 ( -10.644 -18.092 3.346) 21.256 9.621 ( -0.932 -1.962 -0.088) 2.174 10.155 ( 10.323 17.709 1.676) 20.566 10.564 ( -1.115 -1.664 0.054) 2.004 11.157 ( 10.623 18.614 -5.152) 22.043 18.242 ( -6.727 -11.628 -0.193) 13.435 20.211 ( -12.273 -21.221 2.526) 24.644 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 2.448 18.637 8.636) 20.686 1.643 ( 13.450 12.253 -9.755) 20.645 1.817 ( 2.990 5.057 10.456) 11.993 1.932 ( 7.982 6.346 -5.912) 11.788 2.531 ( -1.053 3.908 2.695) 4.862 2.674 ( 9.553 9.883 1.909) 13.877 2.919 ( 11.116 12.345 -3.009) 16.882 3.337 ( 17.842 11.596 -6.732) 22.319 4.046 ( -1.252 -1.950 -0.161) 2.323 4.124 ( 2.773 6.298 1.169) 6.980 4.574 ( -1.623 -2.907 1.072) 3.498 5.399 ( -12.274 -14.215 1.614) 18.850 9.576 ( -2.344 -1.432 -0.392) 2.774 10.479 ( 9.072 8.810 0.721) 12.666 10.529 ( -0.224 1.182 0.295) 1.239 11.457 ( 9.001 9.596 -1.489) 13.241 18.014 ( -7.831 -9.041 -0.095) 11.962 19.808 ( -13.832 -15.993 0.733) 21.157 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.000 11.995 -9.920) 15.566 1.424 ( -0.000 13.917 11.709) 18.187 1.671 ( -0.000 17.131 10.251) 19.964 1.804 ( 0.000 16.434 -13.719) 21.408 2.507 ( 0.000 -0.330 -2.653) 2.673 2.518 ( -0.000 9.319 17.447) 19.780 2.730 ( 0.000 14.546 -14.925) 20.841 3.071 ( 0.000 24.463 7.836) 25.687 4.041 ( -0.000 0.668 0.827) 1.063 4.080 ( 0.000 2.278 -2.571) 3.435 4.669 ( -0.000 -10.517 -0.841) 10.551 5.650 ( -0.000 -20.820 0.328) 20.822 9.603 ( -0.000 -2.861 0.576) 2.918 10.267 ( 0.000 20.175 1.034) 20.201 10.550 ( -0.000 -2.609 -0.454) 2.649 11.257 ( 0.000 19.677 -2.210) 19.800 18.172 ( -0.000 -13.367 -0.143) 13.368 20.090 ( -0.000 -24.054 0.795) 24.067 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.000 0.000 7.829) 7.829 0.890 ( -0.000 0.000 7.829) 7.829 1.174 ( 0.000 -0.000 -7.311) 7.311 1.174 ( 0.000 -0.000 -7.311) 7.311 2.285 ( -0.000 0.000 49.728) 49.728 2.513 ( -0.000 0.000 0.722) 0.722 2.513 ( -0.000 0.000 0.722) 0.722 2.626 ( 0.000 -0.000 -42.698) 42.698 4.028 ( 0.000 -0.000 -0.027) 0.027 4.028 ( 0.000 -0.000 -0.027) 0.027 5.047 ( 0.000 -0.000 -0.854) 0.854 6.223 ( -0.000 0.000 0.844) 0.844 9.662 ( 0.000 -0.000 -0.114) 0.114 9.662 ( 0.000 -0.000 -0.114) 0.114 10.602 ( -0.000 0.000 0.080) 0.080 10.602 ( -0.000 0.000 0.080) 0.080 18.534 ( 0.000 -0.000 -0.026) 0.026 20.763 ( 0.000 -0.000 -0.024) 0.024 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 3.36e-05 3.36e-05 1.56e-04 2.11e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 8.517 4.917 7.921) 12.628 1.238 ( 23.246 13.421 -2.016) 26.917 1.241 ( 6.659 3.845 -8.575) 11.518 1.389 ( 17.715 10.228 3.096) 20.689 2.410 ( 1.916 1.106 33.435) 33.508 2.509 ( -0.354 -0.204 1.603) 1.654 2.561 ( 3.838 2.216 -32.006) 32.312 2.678 ( 13.839 7.990 -1.405) 16.041 4.033 ( 0.347 0.201 -0.448) 0.601 4.041 ( 1.109 0.640 0.590) 1.410 4.909 ( -10.609 -6.125 -0.229) 12.252 6.034 ( -15.174 -8.761 1.029) 17.552 9.647 ( -1.324 -0.765 -0.377) 1.575 9.871 ( 16.437 9.490 0.165) 18.981 10.588 ( -1.248 -0.720 0.292) 1.470 10.839 ( 18.238 10.529 -0.952) 21.080 18.418 ( -9.484 -5.475 -0.008) 10.951 20.542 ( -17.848 -10.305 0.552) 20.617 =================== 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 10.0 149.670 149.670 22.211 0.000 -0.000 0.000 3/60750 20.0 62.053 62.053 20.161 0.000 -0.000 0.000 3/60750 30.0 36.381 36.381 15.842 0.000 -0.000 0.000 3/60750 40.0 26.328 26.328 12.591 0.000 -0.000 0.000 3/60750 50.0 20.927 20.927 10.394 0.000 -0.000 0.000 3/60750 60.0 17.493 17.493 8.846 0.000 -0.000 0.000 3/60750 70.0 15.080 15.080 7.704 0.000 -0.000 0.000 3/60750 80.0 13.276 13.276 6.829 0.000 -0.000 0.000 3/60750 90.0 11.871 11.871 6.140 0.000 -0.000 0.000 3/60750 100.0 10.746 10.746 5.584 0.000 -0.000 0.000 3/60750 110.0 9.824 9.824 5.126 0.000 -0.000 0.000 3/60750 120.0 9.057 9.057 4.744 0.000 -0.000 0.000 3/60750 130.0 8.408 8.408 4.419 0.000 -0.000 0.000 3/60750 140.0 7.852 7.852 4.140 0.000 -0.000 0.000 3/60750 150.0 7.371 7.371 3.896 0.000 -0.000 0.000 3/60750 160.0 6.950 6.950 3.682 0.000 -0.000 0.000 3/60750 170.0 6.579 6.579 3.492 0.000 -0.000 0.000 3/60750 180.0 6.249 6.249 3.322 0.000 -0.000 0.000 3/60750 190.0 5.954 5.954 3.169 0.000 -0.000 0.000 3/60750 200.0 5.687 5.687 3.030 0.000 -0.000 0.000 3/60750 210.0 5.446 5.446 2.904 0.000 -0.000 0.000 3/60750 220.0 5.225 5.225 2.788 0.000 -0.000 0.000 3/60750 230.0 5.023 5.023 2.681 0.000 -0.000 0.000 3/60750 240.0 4.838 4.838 2.583 0.000 -0.000 0.000 3/60750 250.0 4.666 4.666 2.491 0.000 -0.000 0.000 3/60750 260.0 4.507 4.507 2.407 0.000 -0.000 0.000 3/60750 270.0 4.359 4.359 2.327 0.000 -0.000 0.000 3/60750 280.0 4.221 4.221 2.253 0.000 -0.000 0.000 3/60750 290.0 4.091 4.091 2.184 0.000 -0.000 0.000 3/60750 300.0 3.970 3.970 2.118 0.000 -0.000 0.000 3/60750 310.0 3.856 3.856 2.057 0.000 -0.000 0.000 3/60750 320.0 3.748 3.748 1.999 0.000 -0.000 0.000 3/60750 330.0 3.647 3.647 1.944 0.000 -0.000 0.000 3/60750 340.0 3.551 3.551 1.892 0.000 -0.000 0.000 3/60750 350.0 3.460 3.460 1.843 0.000 -0.000 0.000 3/60750 360.0 3.374 3.374 1.796 0.000 -0.000 0.000 3/60750 370.0 3.291 3.291 1.752 0.000 -0.000 0.000 3/60750 380.0 3.213 3.213 1.710 0.000 -0.000 0.000 3/60750 390.0 3.139 3.139 1.669 0.000 -0.000 0.000 3/60750 400.0 3.068 3.068 1.631 0.000 -0.000 0.000 3/60750 410.0 3.000 3.000 1.594 0.000 -0.000 0.000 3/60750 420.0 2.935 2.935 1.559 0.000 -0.000 0.000 3/60750 430.0 2.873 2.873 1.525 0.000 -0.000 0.000 3/60750 440.0 2.813 2.813 1.493 0.000 -0.000 0.000 3/60750 450.0 2.756 2.756 1.462 0.000 -0.000 0.000 3/60750 460.0 2.701 2.701 1.433 0.000 -0.000 0.000 3/60750 470.0 2.649 2.649 1.404 0.000 -0.000 0.000 3/60750 480.0 2.598 2.598 1.377 0.000 -0.000 0.000 3/60750 490.0 2.549 2.549 1.350 0.000 -0.000 0.000 3/60750 500.0 2.502 2.502 1.325 0.000 -0.000 0.000 3/60750 510.0 2.457 2.457 1.301 0.000 -0.000 0.000 3/60750 520.0 2.413 2.413 1.277 0.000 -0.000 0.000 3/60750 530.0 2.371 2.371 1.254 0.000 -0.000 0.000 3/60750 540.0 2.331 2.331 1.232 0.000 -0.000 0.000 3/60750 550.0 2.291 2.291 1.211 0.000 -0.000 0.000 3/60750 560.0 2.253 2.253 1.191 0.000 -0.000 0.000 3/60750 570.0 2.217 2.217 1.171 0.000 -0.000 0.000 3/60750 580.0 2.181 2.181 1.152 0.000 -0.000 0.000 3/60750 590.0 2.146 2.146 1.133 0.000 -0.000 0.000 3/60750 600.0 2.113 2.113 1.115 0.000 -0.000 0.000 3/60750 610.0 2.081 2.081 1.098 0.000 -0.000 0.000 3/60750 620.0 2.049 2.049 1.081 0.000 -0.000 0.000 3/60750 630.0 2.019 2.019 1.064 0.000 -0.000 0.000 3/60750 640.0 1.989 1.989 1.048 0.000 -0.000 0.000 3/60750 650.0 1.960 1.960 1.033 0.000 -0.000 0.000 3/60750 660.0 1.933 1.933 1.018 0.000 -0.000 0.000 3/60750 670.0 1.905 1.905 1.003 0.000 -0.000 0.000 3/60750 680.0 1.879 1.879 0.989 0.000 -0.000 0.000 3/60750 690.0 1.853 1.853 0.975 0.000 -0.000 0.000 3/60750 700.0 1.828 1.828 0.962 0.000 -0.000 0.000 3/60750 710.0 1.804 1.804 0.949 0.000 -0.000 0.000 3/60750 720.0 1.780 1.780 0.936 0.000 -0.000 0.000 3/60750 730.0 1.757 1.757 0.924 0.000 -0.000 0.000 3/60750 740.0 1.735 1.735 0.912 0.000 -0.000 0.000 3/60750 750.0 1.713 1.713 0.900 0.000 -0.000 0.000 3/60750 760.0 1.692 1.692 0.889 0.000 -0.000 0.000 3/60750 770.0 1.671 1.671 0.878 0.000 -0.000 0.000 3/60750 780.0 1.650 1.650 0.867 0.000 -0.000 0.000 3/60750 790.0 1.630 1.630 0.856 0.000 -0.000 0.000 3/60750 800.0 1.611 1.611 0.846 0.000 -0.000 0.000 3/60750 810.0 1.592 1.592 0.836 0.000 -0.000 0.000 3/60750 820.0 1.574 1.574 0.826 0.000 -0.000 0.000 3/60750 830.0 1.556 1.556 0.816 0.000 -0.000 0.000 3/60750 840.0 1.538 1.538 0.807 0.000 -0.000 0.000 3/60750 850.0 1.521 1.521 0.798 0.000 -0.000 0.000 3/60750 860.0 1.504 1.504 0.789 0.000 -0.000 0.000 3/60750 870.0 1.487 1.487 0.780 0.000 -0.000 0.000 3/60750 880.0 1.471 1.471 0.771 0.000 -0.000 0.000 3/60750 890.0 1.455 1.455 0.763 0.000 -0.000 0.000 3/60750 900.0 1.440 1.440 0.754 0.000 -0.000 0.000 3/60750 910.0 1.425 1.425 0.746 0.000 -0.000 0.000 3/60750 920.0 1.410 1.410 0.738 0.000 -0.000 0.000 3/60750 930.0 1.395 1.395 0.731 0.000 -0.000 0.000 3/60750 940.0 1.381 1.381 0.723 0.000 -0.000 0.000 3/60750 950.0 1.367 1.367 0.716 0.000 -0.000 0.000 3/60750 960.0 1.354 1.354 0.708 0.000 -0.000 0.000 3/60750 970.0 1.340 1.340 0.701 0.000 -0.000 0.000 3/60750 980.0 1.327 1.327 0.694 0.000 -0.000 0.000 3/60750 990.0 1.314 1.314 0.687 0.000 -0.000 0.000 3/60750 1000.0 1.302 1.302 0.681 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 10:53:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|