----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:20:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.937119636023530 1.118396543310692 6.431555209999992 b -1.937119636023526 1.118396543310692 6.431555209999992 c 0.000000000000002 -2.236793086621388 6.431555209999992 Atomic positions (fractional): *1 O 0.87823519951835 0.87823519951835 0.87823519951835 15.999 2 O 0.12176480048165 0.12176480048165 0.12176480048165 15.999 *3 F 0.37001153895606 0.37001153895606 0.37001153895606 18.998 4 F 0.62998846104394 0.62998846104394 0.62998846104394 18.998 *5 Sm 0.75828952382347 0.75828952382347 0.75828952382347 150.360 6 Sm 0.24171047617653 0.24171047617653 0.24171047617653 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.874239272047056 0.000000000000000 0.000000000000000 b -1.937119636023528 3.355189629932081 0.000000000000000 c 0.000000000000000 0.000000000000000 19.294665629999997 Atomic positions (fractional): *1 O 0.66666666666667 0.33333333333333 0.21156853285169 15.999 > 1 2 O 0.00000000000000 0.00000000000000 0.12176480048165 15.999 > 2 3 O 0.33333333333333 0.66666666666667 0.54490186618502 15.999 > 1 4 O 0.66666666666667 0.33333333333333 0.45509813381498 15.999 > 2 5 O 0.00000000000000 0.00000000000000 0.87823519951835 15.999 > 1 6 O 0.33333333333333 0.66666666666667 0.78843146714831 15.999 > 2 *7 F 0.33333333333333 0.66666666666667 0.03667820562273 18.998 > 3 8 F 0.33333333333333 0.66666666666667 0.29665512771061 18.998 > 4 9 F 0.00000000000000 0.00000000000000 0.37001153895606 18.998 > 3 10 F 0.00000000000000 0.00000000000000 0.62998846104394 18.998 > 4 11 F 0.66666666666667 0.33333333333333 0.70334487228939 18.998 > 3 12 F 0.66666666666667 0.33333333333333 0.96332179437727 18.998 > 4 *13 Sm 0.66666666666667 0.33333333333333 0.09162285715680 150.360 > 5 14 Sm 0.00000000000000 0.00000000000000 0.24171047617653 150.360 > 6 15 Sm 0.33333333333333 0.66666666666667 0.42495619049013 150.360 > 5 16 Sm 0.66666666666667 0.33333333333333 0.57504380950987 150.360 > 6 17 Sm 0.00000000000000 0.00000000000000 0.75828952382347 150.360 > 5 18 Sm 0.33333333333333 0.66666666666667 0.90837714284320 150.360 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.748478544094112 0.000000000000000 0.000000000000000 b -3.874239272047056 6.710379259864162 0.000000000000000 c 0.000000000000000 0.000000000000000 19.294665629999997 Atomic positions (fractional): *1 O 0.33333333333333 0.16666666666667 0.21156853285169 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.21156853285169 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.21156853285169 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.21156853285169 15.999 > 1 5 O 0.00000000000000 0.00000000000000 0.12176480048165 15.999 > 2 6 O 0.50000000000000 0.00000000000000 0.12176480048165 15.999 > 2 7 O 0.00000000000000 0.50000000000000 0.12176480048165 15.999 > 2 8 O 0.50000000000000 0.50000000000000 0.12176480048165 15.999 > 2 9 O 0.16666666666667 0.33333333333333 0.54490186618502 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.54490186618502 15.999 > 1 11 O 0.16666666666667 0.83333333333333 0.54490186618502 15.999 > 1 12 O 0.66666666666667 0.83333333333333 0.54490186618502 15.999 > 1 13 O 0.33333333333333 0.16666666666667 0.45509813381498 15.999 > 2 14 O 0.83333333333333 0.16666666666667 0.45509813381498 15.999 > 2 15 O 0.33333333333333 0.66666666666667 0.45509813381498 15.999 > 2 16 O 0.83333333333333 0.66666666666667 0.45509813381498 15.999 > 2 17 O 0.00000000000000 0.00000000000000 0.87823519951835 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.87823519951835 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.87823519951835 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.87823519951835 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.78843146714831 15.999 > 2 22 O 0.66666666666667 0.33333333333333 0.78843146714831 15.999 > 2 23 O 0.16666666666667 0.83333333333333 0.78843146714831 15.999 > 2 24 O 0.66666666666667 0.83333333333333 0.78843146714831 15.999 > 2 *25 F 0.16666666666667 0.33333333333333 0.03667820562273 18.998 > 3 26 F 0.66666666666667 0.33333333333333 0.03667820562273 18.998 > 3 27 F 0.16666666666667 0.83333333333333 0.03667820562273 18.998 > 3 28 F 0.66666666666667 0.83333333333333 0.03667820562273 18.998 > 3 29 F 0.16666666666667 0.33333333333333 0.29665512771061 18.998 > 4 30 F 0.66666666666667 0.33333333333333 0.29665512771061 18.998 > 4 31 F 0.16666666666667 0.83333333333333 0.29665512771061 18.998 > 4 32 F 0.66666666666667 0.83333333333333 0.29665512771061 18.998 > 4 33 F 0.00000000000000 0.00000000000000 0.37001153895606 18.998 > 3 34 F 0.50000000000000 0.00000000000000 0.37001153895606 18.998 > 3 35 F 0.00000000000000 0.50000000000000 0.37001153895606 18.998 > 3 36 F 0.50000000000000 0.50000000000000 0.37001153895606 18.998 > 3 37 F 0.00000000000000 0.00000000000000 0.62998846104394 18.998 > 4 38 F 0.50000000000000 0.00000000000000 0.62998846104394 18.998 > 4 39 F 0.00000000000000 0.50000000000000 0.62998846104394 18.998 > 4 40 F 0.50000000000000 0.50000000000000 0.62998846104394 18.998 > 4 41 F 0.33333333333333 0.16666666666667 0.70334487228939 18.998 > 3 42 F 0.83333333333333 0.16666666666667 0.70334487228939 18.998 > 3 43 F 0.33333333333333 0.66666666666667 0.70334487228939 18.998 > 3 44 F 0.83333333333333 0.66666666666667 0.70334487228939 18.998 > 3 45 F 0.33333333333333 0.16666666666667 0.96332179437727 18.998 > 4 46 F 0.83333333333333 0.16666666666667 0.96332179437727 18.998 > 4 47 F 0.33333333333333 0.66666666666667 0.96332179437727 18.998 > 4 48 F 0.83333333333333 0.66666666666667 0.96332179437727 18.998 > 4 *49 Sm 0.33333333333333 0.16666666666667 0.09162285715680 150.360 > 5 50 Sm 0.83333333333333 0.16666666666667 0.09162285715680 150.360 > 5 51 Sm 0.33333333333333 0.66666666666667 0.09162285715680 150.360 > 5 52 Sm 0.83333333333333 0.66666666666667 0.09162285715680 150.360 > 5 53 Sm 0.00000000000000 0.00000000000000 0.24171047617653 150.360 > 6 54 Sm 0.50000000000000 0.00000000000000 0.24171047617653 150.360 > 6 55 Sm 0.00000000000000 0.50000000000000 0.24171047617653 150.360 > 6 56 Sm 0.50000000000000 0.50000000000000 0.24171047617653 150.360 > 6 57 Sm 0.16666666666667 0.33333333333333 0.42495619049013 150.360 > 5 58 Sm 0.66666666666667 0.33333333333333 0.42495619049013 150.360 > 5 59 Sm 0.16666666666667 0.83333333333333 0.42495619049013 150.360 > 5 60 Sm 0.66666666666667 0.83333333333333 0.42495619049013 150.360 > 5 61 Sm 0.33333333333333 0.16666666666667 0.57504380950987 150.360 > 6 62 Sm 0.83333333333333 0.16666666666667 0.57504380950987 150.360 > 6 63 Sm 0.33333333333333 0.66666666666667 0.57504380950987 150.360 > 6 64 Sm 0.83333333333333 0.66666666666667 0.57504380950987 150.360 > 6 65 Sm 0.00000000000000 0.00000000000000 0.75828952382347 150.360 > 5 66 Sm 0.50000000000000 0.00000000000000 0.75828952382347 150.360 > 5 67 Sm 0.00000000000000 0.50000000000000 0.75828952382347 150.360 > 5 68 Sm 0.50000000000000 0.50000000000000 0.75828952382347 150.360 > 5 69 Sm 0.16666666666667 0.33333333333333 0.90837714284320 150.360 > 6 70 Sm 0.66666666666667 0.33333333333333 0.90837714284320 150.360 > 6 71 Sm 0.16666666666667 0.83333333333333 0.90837714284320 150.360 > 6 72 Sm 0.66666666666667 0.83333333333333 0.90837714284320 150.360 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6736299 -0.0000000 0.0000000 0.0000000 3.6736299 0.0000000 0.0000000 0.0000000 3.3911467 -------------------------- Born effective charges -------------------------- 1 O -2.4990912 -0.0000000 0.0000000 0.0000000 -2.4990912 0.0000000 0.0000000 0.0000000 -1.9130314 2 O -2.4990912 -0.0000000 0.0000000 0.0000000 -2.4990912 0.0000000 0.0000000 0.0000000 -1.9130314 3 F -1.4035842 0.0000000 0.0000000 0.0000000 -1.4035842 0.0000000 0.0000000 0.0000000 -1.7360056 4 F -1.4035842 0.0000000 0.0000000 0.0000000 -1.4035842 0.0000000 0.0000000 0.0000000 -1.7360056 5 Sm 3.9026753 0.0000000 0.0000000 0.0000000 3.9026753 0.0000000 0.0000000 0.0000000 3.6490370 6 Sm 3.9026753 0.0000000 0.0000000 0.0000000 3.9026753 0.0000000 0.0000000 0.0000000 3.6490370 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 80 / 80 - Time: 0.066 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.070 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 216/216 Permutation basis: 2448/2448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 219 Number of blocks in projector: 186 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 99 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 66 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 54 Use standard eigh solver. Tree of FC basis block matrices: - (219, 213), data: False |-- (54, 54), data: True |-- (66, 63), data: True |-- (99, 96), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:20:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:20:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.937119636023530 1.118396543310692 6.431555209999992 b -1.937119636023526 1.118396543310692 6.431555209999992 c 0.000000000000002 -2.236793086621388 6.431555209999992 Atomic positions (fractional): 1 O 0.87823519951835 0.87823519951835 0.87823519951835 15.999 2 O 0.12176480048165 0.12176480048165 0.12176480048165 15.999 3 F 0.37001153895606 0.37001153895606 0.37001153895606 18.998 4 F 0.62998846104394 0.62998846104394 0.62998846104394 18.998 5 Sm 0.75828952382347 0.75828952382347 0.75828952382347 150.360 6 Sm 0.24171047617653 0.24171047617653 0.24171047617653 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.748478544094112 0.000000000000000 0.000000000000000 b -3.874239272047056 6.710379259864162 0.000000000000000 c 0.000000000000000 0.000000000000000 19.294665629999997 Atomic positions (fractional): 1 O 0.33333333333333 0.16666666666667 0.21156853285169 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.21156853285169 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.21156853285169 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.21156853285169 15.999 > 1 5 O 0.00000000000000 0.00000000000000 0.12176480048165 15.999 > 5 6 O 0.50000000000000 0.00000000000000 0.12176480048165 15.999 > 5 7 O 0.00000000000000 0.50000000000000 0.12176480048165 15.999 > 5 8 O 0.50000000000000 0.50000000000000 0.12176480048165 15.999 > 5 9 O 0.16666666666667 0.33333333333333 0.54490186618502 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.54490186618502 15.999 > 1 11 O 0.16666666666667 0.83333333333333 0.54490186618502 15.999 > 1 12 O 0.66666666666667 0.83333333333333 0.54490186618502 15.999 > 1 13 O 0.33333333333333 0.16666666666667 0.45509813381498 15.999 > 5 14 O 0.83333333333333 0.16666666666667 0.45509813381498 15.999 > 5 15 O 0.33333333333333 0.66666666666667 0.45509813381498 15.999 > 5 16 O 0.83333333333333 0.66666666666667 0.45509813381498 15.999 > 5 17 O 0.00000000000000 0.00000000000000 0.87823519951835 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.87823519951835 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.87823519951835 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.87823519951835 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.78843146714831 15.999 > 5 22 O 0.66666666666667 0.33333333333333 0.78843146714831 15.999 > 5 23 O 0.16666666666667 0.83333333333333 0.78843146714831 15.999 > 5 24 O 0.66666666666667 0.83333333333333 0.78843146714831 15.999 > 5 25 F 0.16666666666667 0.33333333333333 0.03667820562273 18.998 > 25 26 F 0.66666666666667 0.33333333333333 0.03667820562273 18.998 > 25 27 F 0.16666666666667 0.83333333333333 0.03667820562273 18.998 > 25 28 F 0.66666666666667 0.83333333333333 0.03667820562273 18.998 > 25 29 F 0.16666666666667 0.33333333333333 0.29665512771061 18.998 > 29 30 F 0.66666666666667 0.33333333333333 0.29665512771061 18.998 > 29 31 F 0.16666666666667 0.83333333333333 0.29665512771061 18.998 > 29 32 F 0.66666666666667 0.83333333333333 0.29665512771061 18.998 > 29 33 F 0.00000000000000 0.00000000000000 0.37001153895606 18.998 > 25 34 F 0.50000000000000 0.00000000000000 0.37001153895606 18.998 > 25 35 F 0.00000000000000 0.50000000000000 0.37001153895606 18.998 > 25 36 F 0.50000000000000 0.50000000000000 0.37001153895606 18.998 > 25 37 F 0.00000000000000 0.00000000000000 0.62998846104394 18.998 > 29 38 F 0.50000000000000 0.00000000000000 0.62998846104394 18.998 > 29 39 F 0.00000000000000 0.50000000000000 0.62998846104394 18.998 > 29 40 F 0.50000000000000 0.50000000000000 0.62998846104394 18.998 > 29 41 F 0.33333333333333 0.16666666666667 0.70334487228939 18.998 > 25 42 F 0.83333333333333 0.16666666666667 0.70334487228939 18.998 > 25 43 F 0.33333333333333 0.66666666666667 0.70334487228939 18.998 > 25 44 F 0.83333333333333 0.66666666666667 0.70334487228939 18.998 > 25 45 F 0.33333333333333 0.16666666666667 0.96332179437727 18.998 > 29 46 F 0.83333333333333 0.16666666666667 0.96332179437727 18.998 > 29 47 F 0.33333333333333 0.66666666666667 0.96332179437727 18.998 > 29 48 F 0.83333333333333 0.66666666666667 0.96332179437727 18.998 > 29 49 Sm 0.33333333333333 0.16666666666667 0.09162285715680 150.360 > 49 50 Sm 0.83333333333333 0.16666666666667 0.09162285715680 150.360 > 49 51 Sm 0.33333333333333 0.66666666666667 0.09162285715680 150.360 > 49 52 Sm 0.83333333333333 0.66666666666667 0.09162285715680 150.360 > 49 53 Sm 0.00000000000000 0.00000000000000 0.24171047617653 150.360 > 53 54 Sm 0.50000000000000 0.00000000000000 0.24171047617653 150.360 > 53 55 Sm 0.00000000000000 0.50000000000000 0.24171047617653 150.360 > 53 56 Sm 0.50000000000000 0.50000000000000 0.24171047617653 150.360 > 53 57 Sm 0.16666666666667 0.33333333333333 0.42495619049013 150.360 > 49 58 Sm 0.66666666666667 0.33333333333333 0.42495619049013 150.360 > 49 59 Sm 0.16666666666667 0.83333333333333 0.42495619049013 150.360 > 49 60 Sm 0.66666666666667 0.83333333333333 0.42495619049013 150.360 > 49 61 Sm 0.33333333333333 0.16666666666667 0.57504380950987 150.360 > 53 62 Sm 0.83333333333333 0.16666666666667 0.57504380950987 150.360 > 53 63 Sm 0.33333333333333 0.66666666666667 0.57504380950987 150.360 > 53 64 Sm 0.83333333333333 0.66666666666667 0.57504380950987 150.360 > 53 65 Sm 0.00000000000000 0.00000000000000 0.75828952382347 150.360 > 49 66 Sm 0.50000000000000 0.00000000000000 0.75828952382347 150.360 > 49 67 Sm 0.00000000000000 0.50000000000000 0.75828952382347 150.360 > 49 68 Sm 0.50000000000000 0.50000000000000 0.75828952382347 150.360 > 49 69 Sm 0.16666666666667 0.33333333333333 0.90837714284320 150.360 > 53 70 Sm 0.66666666666667 0.33333333333333 0.90837714284320 150.360 > 53 71 Sm 0.16666666666667 0.83333333333333 0.90837714284320 150.360 > 53 72 Sm 0.66666666666667 0.83333333333333 0.90837714284320 150.360 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6736299 -0.0000000 0.0000000 0.0000000 3.6736299 0.0000000 0.0000000 0.0000000 3.3911467 -------------------------- Born effective charges -------------------------- 1 O -2.4990912 -0.0000000 0.0000000 0.0000000 -2.4990912 0.0000000 0.0000000 0.0000000 -1.9130314 2 O -2.4990912 -0.0000000 0.0000000 0.0000000 -2.4990912 0.0000000 0.0000000 0.0000000 -1.9130314 3 F -1.4035842 0.0000000 0.0000000 0.0000000 -1.4035842 0.0000000 0.0000000 0.0000000 -1.7360056 4 F -1.4035842 0.0000000 0.0000000 0.0000000 -1.4035842 0.0000000 0.0000000 0.0000000 -1.7360056 5 Sm 3.9026753 0.0000000 0.0000000 0.0000000 3.9026753 0.0000000 0.0000000 0.0000000 3.6490370 6 Sm 3.9026753 0.0000000 0.0000000 0.0000000 3.9026753 0.0000000 0.0000000 0.0000000 3.6490370 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000008 (yzy) -0.00000008 (yzy) -0.00000008 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:20:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:20:40]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.937119636023530 1.118396543310692 6.431555209999992 b -1.937119636023526 1.118396543310692 6.431555209999992 c 0.000000000000002 -2.236793086621388 6.431555209999992 Atomic positions (fractional): 1 O 0.87823519951835 0.87823519951835 0.87823519951835 15.999 2 O 0.12176480048165 0.12176480048165 0.12176480048165 15.999 3 F 0.37001153895606 0.37001153895606 0.37001153895606 18.998 4 F 0.62998846104394 0.62998846104394 0.62998846104394 18.998 5 Sm 0.75828952382347 0.75828952382347 0.75828952382347 150.360 6 Sm 0.24171047617653 0.24171047617653 0.24171047617653 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.748478544094112 0.000000000000000 0.000000000000000 b -3.874239272047056 6.710379259864162 0.000000000000000 c 0.000000000000000 0.000000000000000 19.294665629999997 Atomic positions (fractional): 1 O 0.33333333333333 0.16666666666667 0.21156853285169 15.999 > 1 2 O 0.83333333333333 0.16666666666667 0.21156853285169 15.999 > 1 3 O 0.33333333333333 0.66666666666667 0.21156853285169 15.999 > 1 4 O 0.83333333333333 0.66666666666667 0.21156853285169 15.999 > 1 5 O 0.00000000000000 0.00000000000000 0.12176480048165 15.999 > 5 6 O 0.50000000000000 0.00000000000000 0.12176480048165 15.999 > 5 7 O 0.00000000000000 0.50000000000000 0.12176480048165 15.999 > 5 8 O 0.50000000000000 0.50000000000000 0.12176480048165 15.999 > 5 9 O 0.16666666666667 0.33333333333333 0.54490186618502 15.999 > 1 10 O 0.66666666666667 0.33333333333333 0.54490186618502 15.999 > 1 11 O 0.16666666666667 0.83333333333333 0.54490186618502 15.999 > 1 12 O 0.66666666666667 0.83333333333333 0.54490186618502 15.999 > 1 13 O 0.33333333333333 0.16666666666667 0.45509813381498 15.999 > 5 14 O 0.83333333333333 0.16666666666667 0.45509813381498 15.999 > 5 15 O 0.33333333333333 0.66666666666667 0.45509813381498 15.999 > 5 16 O 0.83333333333333 0.66666666666667 0.45509813381498 15.999 > 5 17 O 0.00000000000000 0.00000000000000 0.87823519951835 15.999 > 1 18 O 0.50000000000000 0.00000000000000 0.87823519951835 15.999 > 1 19 O 0.00000000000000 0.50000000000000 0.87823519951835 15.999 > 1 20 O 0.50000000000000 0.50000000000000 0.87823519951835 15.999 > 1 21 O 0.16666666666667 0.33333333333333 0.78843146714831 15.999 > 5 22 O 0.66666666666667 0.33333333333333 0.78843146714831 15.999 > 5 23 O 0.16666666666667 0.83333333333333 0.78843146714831 15.999 > 5 24 O 0.66666666666667 0.83333333333333 0.78843146714831 15.999 > 5 25 F 0.16666666666667 0.33333333333333 0.03667820562273 18.998 > 25 26 F 0.66666666666667 0.33333333333333 0.03667820562273 18.998 > 25 27 F 0.16666666666667 0.83333333333333 0.03667820562273 18.998 > 25 28 F 0.66666666666667 0.83333333333333 0.03667820562273 18.998 > 25 29 F 0.16666666666667 0.33333333333333 0.29665512771061 18.998 > 29 30 F 0.66666666666667 0.33333333333333 0.29665512771061 18.998 > 29 31 F 0.16666666666667 0.83333333333333 0.29665512771061 18.998 > 29 32 F 0.66666666666667 0.83333333333333 0.29665512771061 18.998 > 29 33 F 0.00000000000000 0.00000000000000 0.37001153895606 18.998 > 25 34 F 0.50000000000000 0.00000000000000 0.37001153895606 18.998 > 25 35 F 0.00000000000000 0.50000000000000 0.37001153895606 18.998 > 25 36 F 0.50000000000000 0.50000000000000 0.37001153895606 18.998 > 25 37 F 0.00000000000000 0.00000000000000 0.62998846104394 18.998 > 29 38 F 0.50000000000000 0.00000000000000 0.62998846104394 18.998 > 29 39 F 0.00000000000000 0.50000000000000 0.62998846104394 18.998 > 29 40 F 0.50000000000000 0.50000000000000 0.62998846104394 18.998 > 29 41 F 0.33333333333333 0.16666666666667 0.70334487228939 18.998 > 25 42 F 0.83333333333333 0.16666666666667 0.70334487228939 18.998 > 25 43 F 0.33333333333333 0.66666666666667 0.70334487228939 18.998 > 25 44 F 0.83333333333333 0.66666666666667 0.70334487228939 18.998 > 25 45 F 0.33333333333333 0.16666666666667 0.96332179437727 18.998 > 29 46 F 0.83333333333333 0.16666666666667 0.96332179437727 18.998 > 29 47 F 0.33333333333333 0.66666666666667 0.96332179437727 18.998 > 29 48 F 0.83333333333333 0.66666666666667 0.96332179437727 18.998 > 29 49 Sm 0.33333333333333 0.16666666666667 0.09162285715680 150.360 > 49 50 Sm 0.83333333333333 0.16666666666667 0.09162285715680 150.360 > 49 51 Sm 0.33333333333333 0.66666666666667 0.09162285715680 150.360 > 49 52 Sm 0.83333333333333 0.66666666666667 0.09162285715680 150.360 > 49 53 Sm 0.00000000000000 0.00000000000000 0.24171047617653 150.360 > 53 54 Sm 0.50000000000000 0.00000000000000 0.24171047617653 150.360 > 53 55 Sm 0.00000000000000 0.50000000000000 0.24171047617653 150.360 > 53 56 Sm 0.50000000000000 0.50000000000000 0.24171047617653 150.360 > 53 57 Sm 0.16666666666667 0.33333333333333 0.42495619049013 150.360 > 49 58 Sm 0.66666666666667 0.33333333333333 0.42495619049013 150.360 > 49 59 Sm 0.16666666666667 0.83333333333333 0.42495619049013 150.360 > 49 60 Sm 0.66666666666667 0.83333333333333 0.42495619049013 150.360 > 49 61 Sm 0.33333333333333 0.16666666666667 0.57504380950987 150.360 > 53 62 Sm 0.83333333333333 0.16666666666667 0.57504380950987 150.360 > 53 63 Sm 0.33333333333333 0.66666666666667 0.57504380950987 150.360 > 53 64 Sm 0.83333333333333 0.66666666666667 0.57504380950987 150.360 > 53 65 Sm 0.00000000000000 0.00000000000000 0.75828952382347 150.360 > 49 66 Sm 0.50000000000000 0.00000000000000 0.75828952382347 150.360 > 49 67 Sm 0.00000000000000 0.50000000000000 0.75828952382347 150.360 > 49 68 Sm 0.50000000000000 0.50000000000000 0.75828952382347 150.360 > 49 69 Sm 0.16666666666667 0.33333333333333 0.90837714284320 150.360 > 53 70 Sm 0.66666666666667 0.33333333333333 0.90837714284320 150.360 > 53 71 Sm 0.16666666666667 0.83333333333333 0.90837714284320 150.360 > 53 72 Sm 0.66666666666667 0.83333333333333 0.90837714284320 150.360 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6736299 -0.0000000 0.0000000 0.0000000 3.6736299 0.0000000 0.0000000 0.0000000 3.3911467 -------------------------- Born effective charges -------------------------- 1 O -2.4990912 -0.0000000 0.0000000 0.0000000 -2.4990912 0.0000000 0.0000000 0.0000000 -1.9130314 2 O -2.4990912 -0.0000000 0.0000000 0.0000000 -2.4990912 0.0000000 0.0000000 0.0000000 -1.9130314 3 F -1.4035842 0.0000000 0.0000000 0.0000000 -1.4035842 0.0000000 0.0000000 0.0000000 -1.7360056 4 F -1.4035842 0.0000000 0.0000000 0.0000000 -1.4035842 0.0000000 0.0000000 0.0000000 -1.7360056 5 Sm 3.9026753 0.0000000 0.0000000 0.0000000 3.9026753 0.0000000 0.0000000 0.0000000 3.6490370 6 Sm 3.9026753 0.0000000 0.0000000 0.0000000 3.9026753 0.0000000 0.0000000 0.0000000 3.6490370 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (yzy) -0.00000008 (yzy) -0.00000008 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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: 0.95, Number of G-points: 325, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/344) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-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 3.091 ( 0.000 0.000 0.000) 0.000 3.091 ( 0.000 0.000 0.000) 0.000 5.679 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 12.047 ( 0.000 0.000 0.000) 0.000 12.047 ( 0.000 0.000 0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 13.525 ( 0.000 0.000 0.000) 0.000 14.176 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/344) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 25.471 14.706 0.662) 29.419 0.662 ( 28.573 16.497 -2.768) 33.109 1.173 ( 47.960 27.690 15.223) 57.434 3.136 ( 3.791 2.189 0.087) 4.379 3.281 ( 15.904 9.182 -1.681) 18.441 5.662 ( -1.280 -0.739 -1.515) 2.117 6.532 ( 0.343 0.198 -0.500) 0.638 6.895 ( 1.403 0.810 -10.276) 10.403 8.192 ( -21.458 -12.389 -20.375) 32.079 8.555 ( 2.077 1.199 1.418) 2.786 8.957 ( -6.401 -3.696 39.149) 39.840 9.905 ( 9.363 5.406 1.438) 10.906 11.986 ( -5.050 -2.916 -1.215) 5.956 13.210 ( -14.706 -8.491 -2.338) 17.142 13.403 ( -1.104 -0.637 0.787) 1.498 13.438 ( -6.316 -3.646 -5.595) 9.192 14.317 ( 13.116 7.572 -9.368) 17.808 16.728 ( 0.881 0.509 -4.005) 4.132 ======================= Grid point 2 (3/344) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 26.257 15.159 0.826) 30.330 1.278 ( 25.507 14.726 -1.915) 29.515 2.286 ( 44.038 25.425 14.765) 52.951 3.256 ( 6.317 3.647 -0.166) 7.296 3.751 ( 24.479 14.133 -2.935) 28.418 5.609 ( -2.688 -1.552 -2.722) 4.128 6.540 ( 0.548 0.316 -0.861) 1.068 6.890 ( 0.210 0.121 -4.861) 4.867 7.546 ( -26.191 -15.121 -22.866) 37.914 8.629 ( 3.672 2.120 2.593) 4.970 8.904 ( -7.380 -4.261 23.417) 24.920 10.099 ( 5.899 3.406 0.330) 6.819 11.815 ( -9.122 -5.267 -2.143) 10.749 12.815 ( -18.112 -10.457 -2.442) 21.056 13.218 ( -10.583 -6.110 -5.941) 13.588 13.372 ( -1.878 -1.084 1.314) 2.535 14.598 ( 12.215 7.052 -1.470) 14.181 16.725 ( -0.998 -0.576 1.830) 2.163 ======================= Grid point 3 (4/344) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 25.740 14.861 1.338) 29.752 1.810 ( 21.179 12.227 -0.593) 24.462 3.276 ( 37.504 21.653 14.041) 45.525 3.410 ( 6.969 4.023 -0.859) 8.093 4.327 ( 25.604 14.782 -4.214) 29.864 5.521 ( -4.023 -2.323 -2.937) 5.496 6.548 ( 0.353 0.204 -0.927) 1.012 6.754 ( -19.475 -11.244 4.243) 22.885 7.019 ( -3.636 -2.100 -25.258) 25.605 8.735 ( 4.593 2.652 3.193) 6.191 8.789 ( -8.309 -4.797 15.411) 18.154 10.141 ( -2.121 -1.225 -4.553) 5.170 11.566 ( -11.539 -6.662 -2.544) 13.565 12.392 ( -17.626 -10.176 -1.459) 20.405 12.937 ( -11.669 -6.737 -4.766) 14.293 13.330 ( -2.059 -1.189 1.446) 2.783 14.849 ( 9.726 5.616 -0.075) 11.231 16.688 ( -3.273 -1.890 4.371) 5.778 ======================= Grid point 4 (5/344) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 16.482 9.516 0.880) 19.052 2.356 ( 24.234 13.992 2.180) 28.068 3.556 ( 5.898 3.405 -1.773) 7.037 4.079 ( 27.727 16.008 12.639) 34.421 4.846 ( 20.103 11.606 -6.174) 24.020 5.416 ( -4.032 -2.328 -1.182) 4.804 6.289 ( -16.328 -9.427 3.299) 19.141 6.546 ( -0.312 -0.180 -0.648) 0.742 7.005 ( 3.814 2.202 -13.147) 13.865 8.639 ( -8.340 -4.815 9.638) 13.625 8.856 ( 4.872 2.813 2.981) 6.367 9.958 ( -11.261 -6.502 -12.080) 17.749 11.283 ( -12.043 -6.953 -2.318) 14.098 12.016 ( -14.548 -8.400 -0.068) 16.799 12.672 ( -10.046 -5.800 -2.345) 11.835 13.292 ( -1.613 -0.931 1.229) 2.232 15.040 ( 6.931 4.002 -0.231) 8.007 16.608 ( -4.931 -2.847 5.313) 7.787 ======================= Grid point 5 (6/344) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( 11.956 6.903 1.985) 13.948 2.900 ( 22.348 12.903 3.193) 26.002 3.661 ( 3.824 2.208 -2.456) 5.053 4.574 ( 10.279 5.935 7.583) 14.085 5.170 ( 9.908 5.720 -3.545) 11.978 5.368 ( 1.452 0.838 0.821) 1.867 6.123 ( -0.252 -0.145 10.511) 10.515 6.529 ( -0.985 -0.569 -0.224) 1.159 7.058 ( 3.739 2.159 -8.608) 9.630 8.486 ( -6.851 -3.955 5.293) 9.518 8.973 ( 4.458 2.574 2.122) 5.568 9.562 ( -17.697 -10.217 -18.939) 27.861 11.012 ( -10.648 -6.148 -1.627) 12.402 11.729 ( -10.646 -6.146 0.813) 12.319 12.472 ( -6.881 -3.973 0.015) 7.945 13.267 ( -0.851 -0.491 0.842) 1.294 15.167 ( 4.353 2.513 -0.659) 5.069 16.508 ( -5.123 -2.958 4.993) 7.741 ======================= Grid point 6 (7/344) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 7.486 4.322 2.134) 8.904 3.404 ( 20.459 11.812 4.118) 23.980 3.715 ( 1.740 1.005 -2.340) 3.084 4.576 ( -8.802 -5.082 -0.736) 10.190 5.340 ( 6.429 3.712 3.594) 8.247 5.517 ( 8.389 4.843 3.799) 10.405 6.249 ( 5.386 3.110 10.369) 12.091 6.504 ( -1.057 -0.610 0.043) 1.221 7.109 ( 2.625 1.516 -4.904) 5.765 8.379 ( -3.278 -1.893 3.425) 5.105 9.068 ( -18.045 -10.418 -20.804) 29.444 9.068 ( 3.198 1.846 1.122) 3.859 10.797 ( -7.424 -4.286 -0.844) 8.614 11.532 ( -6.758 -3.902 0.766) 7.841 12.354 ( -3.658 -2.112 1.003) 4.341 13.257 ( -0.242 -0.140 0.459) 0.537 15.239 ( 2.266 1.309 -0.737) 2.719 16.419 ( -3.769 -2.176 3.560) 5.623 ======================= Grid point 7 (8/344) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 2.611 1.507 0.956) 3.163 3.732 ( 0.406 0.234 -1.011) 1.115 3.866 ( 18.447 10.650 4.552) 21.781 4.274 ( -15.513 -8.956 -3.887) 18.330 5.485 ( 3.948 2.280 2.359) 5.133 5.673 ( 3.242 1.871 2.607) 4.561 6.367 ( 2.038 1.177 4.432) 5.018 6.486 ( -0.443 -0.256 0.053) 0.514 7.140 ( 0.978 0.565 -1.599) 1.958 8.381 ( 2.117 1.222 5.177) 5.725 8.657 ( -10.848 -6.263 -13.659) 18.533 9.122 ( 1.170 0.675 0.328) 1.390 10.677 ( -2.682 -1.548 -0.242) 3.106 11.428 ( -2.367 -1.366 0.288) 2.748 12.304 ( -1.104 -0.637 0.524) 1.378 13.256 ( -0.016 -0.009 0.142) 0.143 15.270 ( 0.683 0.395 -0.320) 0.852 16.367 ( -1.373 -0.793 1.293) 2.045 ======================= Grid point 16 (9/344) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 0.000 27.780 17.837) 33.013 0.759 ( 0.000 31.634 14.872) 34.956 1.118 ( -0.000 53.135 6.517) 53.533 3.126 ( -0.000 4.122 -1.868) 4.525 3.287 ( -0.000 18.737 -0.527) 18.745 5.656 ( -0.000 -1.265 -2.736) 3.014 6.540 ( 0.000 0.673 1.001) 1.206 6.843 ( -0.000 4.077 -16.068) 16.577 8.506 ( 0.000 -6.103 10.582) 12.216 8.535 ( -0.000 1.624 -2.413) 2.909 8.815 ( 0.000 -32.788 34.118) 47.319 9.897 ( -0.000 9.801 -0.080) 9.802 12.002 ( 0.000 -5.199 1.907) 5.537 13.182 ( -0.000 -15.983 -8.473) 18.090 13.393 ( -0.000 -1.661 -1.148) 2.019 13.429 ( -0.000 -5.898 -5.854) 8.310 14.330 ( -0.000 22.304 -6.725) 23.296 16.643 ( -0.000 1.403 -17.333) 17.389 ======================= Grid point 17 (10/344) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 8.837 25.317 13.295) 29.930 1.262 ( 10.970 31.192 3.148) 33.214 1.973 ( 31.608 39.150 12.760) 51.910 3.236 ( 5.345 7.062 -2.108) 9.104 3.581 ( 11.205 22.182 -1.691) 24.909 5.618 ( -1.454 -1.620 -3.481) 4.106 6.536 ( -0.989 0.127 0.437) 1.088 6.841 ( 1.789 0.887 -11.091) 11.269 7.920 ( -36.979 -11.093 -2.184) 38.669 8.527 ( 4.794 -5.339 6.828) 9.905 8.936 ( 8.803 -12.088 15.017) 21.192 10.050 ( 5.490 7.004 -0.629) 8.921 11.890 ( -6.093 -6.621 0.527) 9.014 12.904 ( -9.512 -17.210 -5.279) 20.360 13.256 ( -6.670 -9.143 -6.116) 12.864 13.380 ( -0.090 -2.118 -0.586) 2.200 14.576 ( 4.643 17.087 3.448) 18.040 16.648 ( 5.042 -3.687 -9.124) 11.057 ======================= Grid point 18 (11/344) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 19.148 21.448 6.956) 29.581 1.753 ( 11.798 26.065 1.145) 28.634 2.920 ( 33.045 25.928 12.323) 43.773 3.419 ( 5.866 13.023 -0.887) 14.310 4.063 ( 20.189 19.436 -3.829) 28.284 5.551 ( -2.996 -1.722 -3.230) 4.730 6.512 ( -0.490 -2.814 -0.582) 2.915 6.846 ( 2.465 -0.702 -7.672) 8.089 7.192 ( -31.724 -10.975 -6.233) 34.143 8.595 ( 6.346 -6.084 6.694) 11.050 8.951 ( -1.811 -2.669 9.146) 9.698 10.149 ( 0.330 2.041 -3.412) 3.990 11.681 ( -9.816 -6.963 -0.986) 12.075 12.517 ( -13.414 -16.556 -2.042) 21.406 12.996 ( -8.372 -11.170 -6.648) 15.462 13.358 ( -0.803 -0.704 0.343) 1.122 14.822 ( 4.551 12.931 4.456) 14.414 16.647 ( 3.043 -7.049 -2.299) 8.015 ======================= Grid point 19 (12/344) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 20.223 20.124 3.948) 28.802 2.188 ( 11.997 19.851 1.500) 23.243 3.475 ( 9.811 6.306 -0.049) 11.663 3.878 ( 23.184 24.884 9.640) 35.350 4.582 ( 21.204 14.461 -6.181) 26.399 5.465 ( -4.038 -1.183 -1.173) 4.368 6.420 ( -6.109 -9.421 -1.227) 11.295 6.641 ( -17.374 -3.376 3.009) 17.953 6.874 ( 5.255 -2.854 -9.532) 11.252 8.639 ( 2.499 -6.594 5.966) 9.237 8.931 ( -2.890 3.919 5.287) 7.188 10.050 ( -8.920 -3.090 -9.757) 13.577 11.420 ( -11.828 -6.403 -1.721) 13.559 12.130 ( -12.621 -14.477 -0.048) 19.206 12.726 ( -7.400 -10.820 -4.841) 13.974 13.343 ( -1.732 1.917 0.596) 2.652 15.012 ( 3.359 8.751 3.192) 9.902 16.595 ( 0.678 -9.453 1.545) 9.603 ======================= Grid point 20 (13/344) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 8.085 16.986 2.613) 18.992 2.681 ( 21.040 17.078 2.222) 27.189 3.634 ( 3.755 5.882 -2.349) 7.363 4.474 ( 16.033 14.834 6.167) 22.697 4.998 ( 15.615 8.872 -5.760) 18.861 5.396 ( -2.944 0.448 1.684) 3.422 6.197 ( -6.300 -3.674 8.695) 11.349 6.498 ( -1.130 -5.570 1.598) 5.904 6.916 ( 6.766 -4.228 -6.592) 10.349 8.583 ( -4.604 -3.031 3.705) 6.642 8.981 ( 1.024 4.977 3.942) 6.431 9.722 ( -17.264 -6.925 -16.906) 25.136 11.152 ( -11.623 -4.674 -1.981) 12.684 11.805 ( -9.996 -12.156 1.157) 15.780 12.509 ( -4.872 -8.705 -2.090) 10.192 13.342 ( -2.777 5.423 0.525) 6.115 15.134 ( 2.400 4.347 1.508) 5.189 16.502 ( -0.469 -10.775 3.241) 11.262 ======================= Grid point 21 (14/344) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 4.662 13.357 2.820) 14.425 3.197 ( 19.322 14.930 1.357) 24.456 3.723 ( 1.288 5.781 -2.389) 6.386 4.673 ( -3.739 3.133 -4.042) 6.335 5.267 ( 8.589 4.913 1.916) 10.079 5.448 ( 6.030 4.549 5.501) 9.344 6.227 ( 3.884 1.591 12.698) 13.373 6.440 ( 1.849 -8.486 1.222) 8.771 6.971 ( 7.476 -5.836 -4.645) 10.560 8.480 ( -6.320 0.838 2.087) 6.708 9.065 ( 1.186 3.677 3.867) 5.467 9.253 ( -19.713 -6.481 -20.433) 29.122 10.929 ( -9.975 -0.886 -1.884) 10.190 11.550 ( -6.330 -11.609 1.252) 13.281 12.372 ( -2.390 -5.790 -0.304) 6.271 13.357 ( -4.106 8.926 0.355) 9.832 15.197 ( 2.186 0.155 0.231) 2.203 16.399 ( -0.043 -10.788 3.249) 11.266 ======================= Grid point 22 (15/344) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 0.236 10.466 1.767) 10.616 3.605 ( 12.665 4.421 -0.739) 13.434 3.828 ( 4.734 12.975 0.181) 13.813 4.477 ( -15.379 -0.688 -7.263) 17.022 5.441 ( 5.938 3.447 3.036) 7.507 5.629 ( 5.420 1.750 7.299) 9.259 6.336 ( 3.099 -2.257 4.936) 6.250 6.413 ( 3.606 -6.565 2.025) 7.759 7.020 ( 7.120 -7.298 -2.224) 10.436 8.422 ( -2.789 2.550 2.353) 4.451 8.814 ( -16.056 -1.398 -12.018) 20.104 9.141 ( 0.500 3.529 1.267) 3.783 10.786 ( -7.712 4.159 -1.320) 8.861 11.373 ( -0.819 -11.641 0.476) 11.679 12.301 ( -0.612 -3.387 -0.236) 3.450 13.376 ( -5.680 11.352 0.197) 12.695 15.221 ( 2.547 -2.989 -0.241) 3.934 16.318 ( 1.638 -9.754 1.914) 10.074 ======================= Grid point 23 (16/344) ======================= q-point: (-0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( -4.867 7.375 -0.444) 8.847 3.701 ( 1.888 -2.395 -0.306) 3.065 4.100 ( -7.977 0.758 -3.743) 8.844 4.194 ( 0.361 14.628 -2.435) 14.834 5.517 ( -1.140 0.099 -0.295) 1.182 5.678 ( -0.554 -3.136 2.627) 4.128 6.336 ( 2.182 -5.805 -1.727) 6.438 6.410 ( 2.030 -5.523 -2.507) 6.396 7.051 ( 5.626 -8.450 0.842) 10.187 8.420 ( -2.227 1.502 -0.584) 2.748 8.680 ( -0.369 9.578 6.510) 11.587 9.169 ( -1.664 2.652 2.159) 3.803 10.741 ( -4.369 8.256 -0.328) 9.347 11.304 ( 5.540 -10.025 -0.799) 11.482 12.276 ( 1.019 -1.947 -1.242) 2.525 13.384 ( -6.948 11.940 0.058) 13.814 15.229 ( 2.643 -4.299 0.043) 5.047 16.279 ( 4.065 -8.233 -0.295) 9.186 ======================= Grid point 24 (17/344) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -9.541 4.359 -2.108) 10.699 3.594 ( -12.682 -7.725 -3.343) 15.222 3.823 ( -10.306 3.365 -0.475) 10.851 4.502 ( 8.936 12.794 -2.124) 15.750 5.409 ( -6.934 -2.730 -3.574) 8.264 5.585 ( -5.653 -4.771 -1.522) 7.552 6.258 ( -3.588 -4.701 -8.636) 10.466 6.395 ( 6.080 -8.617 -1.177) 10.611 7.049 ( 3.829 -9.401 3.125) 10.621 8.412 ( -2.015 6.268 0.681) 6.619 8.950 ( 11.634 9.074 11.760) 18.867 9.167 ( -2.394 4.837 7.586) 9.310 10.797 ( 0.392 9.633 0.701) 9.666 11.360 ( 10.702 -5.983 -1.915) 12.409 12.291 ( 3.375 -1.175 -2.227) 4.210 13.374 ( -7.150 10.670 -0.095) 12.845 15.226 ( 1.448 -3.759 0.720) 4.092 16.293 ( 6.719 -6.651 -2.754) 9.847 ======================= Grid point 25 (18/344) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -13.677 2.256 -2.135) 14.026 3.170 ( -22.796 -7.862 -4.113) 24.462 3.747 ( -5.285 1.706 2.189) 5.970 4.652 ( -2.797 4.547 -6.873) 8.703 5.262 ( -6.169 -2.639 -0.486) 6.727 5.420 ( -6.091 -2.907 -0.167) 6.751 6.103 ( -3.354 -3.797 -9.981) 11.193 6.429 ( 6.995 -7.016 -0.956) 9.953 7.023 ( 2.865 -10.038 5.302) 11.709 8.474 ( 0.062 7.989 0.739) 8.023 9.034 ( -3.553 -0.323 -1.911) 4.048 9.468 ( 14.402 13.209 20.558) 28.364 10.946 ( 5.758 8.782 1.369) 10.591 11.532 ( 13.840 -1.143 -2.135) 14.050 12.363 ( 7.052 -0.476 -2.131) 7.383 13.353 ( -5.932 8.232 -0.287) 10.151 15.202 ( -1.434 -2.276 1.305) 2.990 16.357 ( 8.874 -5.176 -4.756) 11.321 ======================= Grid point 26 (19/344) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -18.392 1.308 -0.908) 18.461 2.657 ( -25.287 -9.099 -2.630) 27.002 3.654 ( -7.205 -0.703 1.554) 7.405 4.383 ( -23.275 -5.177 -9.837) 25.794 5.060 ( -14.300 -8.371 3.924) 17.028 5.389 ( 1.985 2.016 1.340) 3.130 6.121 ( 9.998 5.662 -5.720) 12.835 6.483 ( 6.034 -3.854 -1.261) 7.270 6.993 ( 2.809 -9.964 8.140) 13.169 8.555 ( 1.339 5.098 -1.711) 5.541 8.946 ( -5.301 1.075 -2.716) 6.053 9.884 ( 11.993 9.618 14.070) 20.839 11.172 ( 10.025 7.612 1.692) 12.700 11.792 ( 16.431 2.118 -1.167) 16.608 12.518 ( 11.482 0.641 -0.550) 11.513 13.337 ( -3.641 5.492 -0.516) 6.609 15.133 ( -5.468 -0.940 1.497) 5.747 16.455 ( 9.595 -3.900 -5.697) 11.821 ======================= Grid point 27 (20/344) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -27.929 -8.418 -1.051) 29.189 2.184 ( -22.713 -0.463 0.741) 22.730 3.467 ( -13.247 -7.727 -1.496) 15.408 3.787 ( -32.407 -3.102 -7.395) 33.385 4.633 ( -23.528 -11.647 2.850) 26.407 5.480 ( 4.313 2.222 2.202) 5.328 6.434 ( 12.585 1.497 1.369) 12.747 6.603 ( 11.738 10.889 -3.980) 16.498 6.998 ( 5.666 -8.583 13.848) 17.249 8.582 ( 1.250 -2.782 -5.088) 5.932 8.882 ( -3.864 5.198 -4.157) 7.697 10.133 ( 4.467 4.379 6.151) 8.773 11.438 ( 11.718 6.278 1.762) 13.410 12.131 ( 19.849 3.403 0.302) 20.141 12.760 ( 14.633 1.735 1.461) 14.807 13.336 ( -1.113 3.030 -0.690) 3.301 15.002 ( -9.733 -0.287 1.414) 9.839 16.560 ( 8.372 -2.882 -5.253) 10.295 ======================= Grid point 28 (21/344) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -29.249 -8.355 -0.120) 30.419 1.759 ( -28.140 1.245 2.120) 28.247 2.817 ( -42.329 -12.482 -7.029) 44.687 3.421 ( -13.241 2.331 -0.400) 13.451 4.092 ( -27.055 -8.734 1.599) 28.474 5.574 ( 3.722 1.045 1.465) 4.134 6.519 ( 2.464 -1.676 0.710) 3.064 6.871 ( 3.662 3.057 -2.314) 5.303 7.320 ( 27.279 7.699 17.296) 33.205 8.522 ( 0.984 -7.194 -6.828) 9.967 8.874 ( -1.782 4.948 -5.766) 7.805 10.172 ( -3.535 0.282 0.956) 3.673 11.693 ( 11.065 3.659 1.321) 11.729 12.532 ( 22.102 3.123 0.792) 22.336 13.044 ( 14.946 1.589 2.093) 15.176 13.353 ( 0.847 1.176 -0.581) 1.561 14.804 ( -13.329 -0.244 1.270) 13.392 16.643 ( 5.671 -1.816 -3.241) 6.780 ======================= Grid point 29 (22/344) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -29.231 -0.000 0.000) 29.231 1.247 ( -32.956 -0.000 0.000) 32.956 1.904 ( -51.988 -0.000 0.000) 51.988 3.247 ( -8.723 -0.000 0.000) 8.723 3.590 ( -24.893 -0.000 0.000) 24.893 5.636 ( 2.527 0.000 -0.000) 2.527 6.534 ( 0.318 0.000 -0.000) 0.318 6.907 ( 0.740 0.000 -0.000) 0.740 7.935 ( 29.519 0.000 -0.000) 29.519 8.475 ( 1.716 0.000 -0.000) 1.716 8.860 ( -1.113 -0.000 0.000) 1.113 10.053 ( -9.395 -0.000 0.000) 9.395 11.887 ( 8.694 0.000 -0.000) 8.694 12.931 ( 21.240 0.000 -0.000) 21.240 13.291 ( 11.605 0.000 -0.000) 11.605 13.384 ( 2.248 0.000 -0.000) 2.248 14.556 ( -15.082 -0.000 0.000) 15.082 16.699 ( 2.779 0.000 -0.000) 2.779 ======================= Grid point 32 (23/344) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 0.000 26.149 13.459) 29.409 1.438 ( 0.000 26.736 12.382) 29.464 2.182 ( -0.000 49.040 6.089) 49.417 3.226 ( -0.000 7.454 -3.043) 8.051 3.760 ( -0.000 27.783 -1.824) 27.843 5.605 ( -0.000 -1.187 -3.275) 3.483 6.562 ( 0.000 0.565 1.136) 1.269 6.786 ( -0.000 -1.440 -9.744) 9.850 8.293 ( 0.000 -37.214 36.720) 52.280 8.483 ( -0.000 -0.573 -12.536) 12.549 8.568 ( -0.000 3.919 -2.955) 4.908 10.068 ( -0.000 7.425 -2.336) 7.784 11.864 ( 0.000 -10.247 2.348) 10.513 12.785 ( -0.000 -18.072 -5.492) 18.888 13.208 ( -0.000 -12.369 -5.359) 13.480 13.342 ( -0.000 -2.316 -1.406) 2.710 14.744 ( 0.000 16.961 10.648) 20.026 16.514 ( -0.000 -2.541 -15.901) 16.103 ======================= Grid point 33 (24/344) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 3.611 25.617 10.764) 28.021 1.850 ( 9.395 24.029 6.637) 26.640 2.825 ( 16.822 37.946 7.055) 42.103 3.383 ( 9.212 10.031 -3.307) 14.015 4.073 ( 5.525 26.866 -2.716) 27.562 5.573 ( -1.845 -0.128 -2.049) 2.760 6.533 ( -3.415 -1.076 0.626) 3.635 6.743 ( 2.268 -5.532 -7.596) 9.667 7.653 ( -33.309 -17.789 9.702) 38.988 8.474 ( 4.037 -2.888 3.613) 6.140 8.820 ( 13.117 -3.850 1.079) 13.713 10.144 ( 1.802 3.570 -3.327) 5.202 11.722 ( -4.364 -10.976 1.265) 11.880 12.521 ( -7.820 -17.999 -1.974) 19.723 12.979 ( -6.952 -14.015 -6.921) 17.107 13.336 ( 1.657 -1.489 -0.934) 2.416 14.951 ( 0.849 14.283 11.651) 18.452 16.474 ( 4.524 -6.074 -11.907) 14.111 ======================= Grid point 34 (25/344) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 13.247 23.485 5.702) 27.560 2.252 ( 8.639 21.791 4.635) 23.895 3.377 ( 11.451 14.597 1.897) 18.649 3.775 ( 19.796 21.740 -0.189) 29.404 4.453 ( 11.269 21.348 -3.105) 24.339 5.529 ( -3.619 1.601 0.267) 3.966 6.433 ( -5.125 -4.414 0.304) 6.770 6.685 ( 2.810 -12.829 -5.787) 14.352 7.028 ( -26.121 -5.576 8.609) 28.062 8.548 ( 4.864 -0.798 1.743) 5.228 8.939 ( 4.639 -1.649 1.267) 5.083 10.120 ( -4.912 -1.308 -7.354) 8.940 11.518 ( -7.741 -9.385 0.369) 12.171 12.180 ( -10.625 -15.992 1.096) 19.231 12.692 ( -6.302 -14.393 -7.267) 17.311 13.361 ( 1.646 1.282 -0.563) 2.161 15.118 ( -0.668 11.199 9.146) 14.475 16.435 ( 3.865 -10.916 -5.675) 12.896 ======================= Grid point 35 (26/344) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 15.079 17.002 1.894) 22.805 2.630 ( 9.009 23.801 4.582) 25.858 3.611 ( 5.638 7.313 -1.955) 9.439 4.336 ( 19.707 16.657 -3.255) 26.008 4.842 ( 13.093 15.179 -0.089) 20.046 5.485 ( -4.820 3.248 2.305) 6.252 6.288 ( -5.966 -4.368 4.476) 8.644 6.495 ( -4.172 -16.138 4.765) 17.336 6.795 ( -3.306 -0.943 2.027) 3.991 8.610 ( 0.843 1.994 -1.283) 2.516 8.994 ( 2.822 0.134 1.827) 3.365 9.882 ( -14.245 -5.389 -14.150) 20.789 11.276 ( -9.934 -7.898 -0.242) 12.693 11.877 ( -10.197 -10.399 2.637) 14.801 12.450 ( -2.784 -13.422 -4.849) 14.540 13.416 ( 1.197 5.358 -0.452) 5.509 15.207 ( -2.641 7.171 5.861) 9.631 16.350 ( 2.715 -14.790 -1.110) 15.078 ======================= Grid point 36 (27/344) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( 7.477 13.101 3.991) 15.603 3.088 ( 13.523 22.862 -0.442) 26.566 3.738 ( 3.289 5.771 -2.636) 7.146 4.684 ( 8.119 8.432 -10.982) 16.050 5.186 ( 9.569 9.857 6.898) 15.372 5.459 ( -1.481 3.788 3.509) 5.372 6.244 ( 0.226 -0.327 11.163) 11.170 6.331 ( 0.010 -13.905 7.842) 15.964 6.776 ( 3.750 -5.994 -0.693) 7.104 8.599 ( -4.515 4.165 -3.041) 6.855 9.063 ( 3.875 0.487 2.208) 4.486 9.465 ( -19.332 -5.959 -18.256) 27.249 11.050 ( -7.514 -5.301 -1.061) 9.257 11.617 ( -11.886 -6.406 2.715) 13.772 12.305 ( 0.797 -10.218 -1.945) 10.432 13.503 ( -0.136 10.370 -0.372) 10.377 15.215 ( -3.332 2.029 2.886) 4.852 16.238 ( 2.935 -16.887 1.277) 17.188 ======================= Grid point 37 (28/344) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 2.236 12.565 3.976) 13.367 3.469 ( 9.748 11.449 -4.811) 15.788 3.871 ( 5.225 11.275 -0.711) 12.447 4.706 ( -9.009 7.458 -11.767) 16.590 5.378 ( 5.183 3.063 5.678) 8.276 5.580 ( 6.062 2.659 8.361) 10.665 6.211 ( 2.692 -13.381 3.953) 14.210 6.355 ( 2.215 0.594 10.411) 10.661 6.789 ( 7.163 -9.958 -0.118) 12.267 8.533 ( -6.157 4.089 -2.818) 7.910 9.041 ( -14.315 -0.923 -18.097) 23.093 9.149 ( 1.478 0.912 5.872) 6.123 10.924 ( -3.252 0.061 -1.945) 3.790 11.360 ( -11.258 -6.325 2.494) 13.152 12.244 ( 1.774 -6.440 -0.996) 6.754 13.604 ( -3.268 15.330 -0.179) 15.676 15.167 ( -1.540 -3.441 0.887) 3.873 16.135 ( 4.381 -17.086 1.646) 17.716 ======================= Grid point 38 (29/344) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -4.300 10.635 0.738) 11.495 3.617 ( 5.176 -0.399 -2.906) 5.949 4.135 ( 6.197 15.792 -1.899) 17.070 4.513 ( -16.899 11.218 -8.367) 21.942 5.498 ( 4.104 0.321 2.011) 4.582 5.666 ( 0.259 -3.481 7.667) 8.424 6.158 ( 4.959 -12.854 3.390) 14.189 6.363 ( -1.899 -2.344 -5.044) 5.877 6.827 ( 8.541 -11.665 3.998) 15.000 8.482 ( -2.633 3.632 0.629) 4.530 8.850 ( -6.412 8.847 -6.406) 12.666 9.204 ( 1.371 0.097 5.893) 6.052 10.927 ( -0.758 8.429 -2.103) 8.720 11.142 ( -5.513 -8.990 2.005) 10.734 12.218 ( 1.732 -4.337 -1.844) 5.021 13.677 ( -7.963 17.992 0.068) 19.676 15.120 ( 2.279 -6.750 0.078) 7.124 16.067 ( 6.449 -16.032 0.491) 17.288 ======================= Grid point 39 (30/344) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.164 ( -8.976 6.140 -2.687) 11.202 3.658 ( -0.381 -0.254 0.614) 0.766 4.102 ( -17.044 3.845 -5.214) 18.234 4.548 ( 2.531 20.596 -4.580) 21.250 5.488 ( -5.036 -2.365 -0.862) 5.630 5.604 ( -2.578 -5.142 1.964) 6.079 6.148 ( 6.945 -11.963 2.461) 14.050 6.239 ( -2.946 -6.483 -12.120) 14.057 6.858 ( 6.661 -12.063 5.075) 14.684 8.523 ( -0.865 7.572 3.511) 8.391 8.934 ( 4.283 10.229 0.723) 11.113 9.250 ( 1.000 1.524 10.640) 10.795 10.975 ( -7.344 8.123 2.179) 11.166 11.089 ( 10.691 -3.174 -2.529) 11.435 12.203 ( 2.637 -4.077 -3.226) 5.829 13.679 ( -11.621 16.108 0.197) 19.864 15.123 ( 4.951 -5.483 0.323) 7.394 16.045 ( 8.870 -14.336 -1.470) 16.922 ======================= Grid point 40 (31/344) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -11.542 2.661 -3.088) 12.240 3.508 ( -19.903 1.893 -1.674) 20.063 3.877 ( -8.011 1.190 -0.079) 8.099 4.742 ( -0.501 14.401 -7.185) 16.102 5.346 ( -6.394 -2.242 0.073) 6.776 5.493 ( -5.566 -3.184 -0.471) 6.430 6.072 ( -2.933 -6.935 -11.168) 13.469 6.179 ( 9.342 -11.259 0.857) 14.655 6.854 ( 4.928 -11.810 4.779) 13.660 8.602 ( -1.966 10.247 3.006) 10.859 9.051 ( 0.650 0.699 -2.280) 2.471 9.447 ( 10.484 9.630 18.106) 23.032 10.967 ( 2.019 0.532 1.780) 2.744 11.303 ( 10.367 8.127 -2.178) 13.351 12.216 ( 5.694 -4.642 -3.847) 8.293 13.608 ( -11.822 11.008 0.168) 16.155 15.169 ( 3.515 -1.457 1.142) 3.973 16.080 ( 11.413 -11.877 -3.406) 16.820 ======================= Grid point 41 (32/344) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -14.060 0.656 -1.799) 14.190 3.075 ( -28.959 0.855 -1.873) 29.032 3.779 ( -6.356 -0.189 1.124) 6.457 4.686 ( -15.380 4.639 -7.475) 17.718 5.210 ( -9.155 -4.185 3.163) 10.551 5.402 ( -1.795 0.534 0.433) 1.922 6.004 ( 5.471 1.278 -8.103) 9.860 6.254 ( 11.133 -8.951 -0.935) 14.315 6.835 ( 4.148 -10.625 4.637) 12.313 8.662 ( -3.633 8.598 2.185) 9.587 9.008 ( -2.767 -1.321 -1.890) 3.602 9.817 ( 12.726 8.821 13.236) 20.371 11.077 ( 8.814 1.418 1.248) 9.014 11.564 ( 11.393 7.346 -1.479) 13.636 12.301 ( 10.931 -3.860 -2.684) 11.900 13.508 ( -9.218 5.973 0.065) 10.984 15.198 ( -1.103 1.159 1.593) 2.258 16.179 ( 13.046 -8.148 -4.178) 15.939 ======================= Grid point 42 (33/344) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -22.974 -3.084 -0.824) 23.194 2.576 ( -25.787 2.403 -0.229) 25.900 3.630 ( -10.602 -1.751 0.089) 10.746 4.290 ( -28.851 0.362 -4.093) 29.142 4.920 ( -18.805 -5.802 1.617) 19.746 5.437 ( 3.182 1.287 1.066) 3.594 6.244 ( 14.263 6.799 -0.040) 15.801 6.398 ( 16.366 -2.187 -4.040) 16.998 6.824 ( 4.124 -8.827 4.453) 10.712 8.638 ( -6.374 2.600 0.555) 6.906 8.954 ( -2.179 0.880 -1.595) 2.840 10.096 ( 7.818 3.995 5.376) 10.295 11.288 ( 12.061 2.559 0.812) 12.357 11.837 ( 15.639 2.573 -0.507) 15.858 12.500 ( 15.400 -1.152 -0.593) 15.454 13.421 ( -5.549 2.351 -0.051) 6.027 15.153 ( -6.213 1.157 1.102) 6.415 16.329 ( 12.327 -3.731 -2.960) 13.215 ======================= Grid point 43 (34/344) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -30.918 -0.000 0.000) 30.918 2.207 ( -22.811 -0.000 0.000) 22.811 3.343 ( -23.777 -0.000 0.000) 23.777 3.770 ( -27.167 -0.000 0.000) 27.167 4.506 ( -25.042 -0.000 0.000) 25.042 5.513 ( 4.218 0.000 -0.000) 4.218 6.431 ( 6.736 0.000 -0.000) 6.736 6.835 ( 3.018 0.000 -0.000) 3.018 6.850 ( 30.254 0.000 -0.000) 30.254 8.532 ( -5.718 -0.000 0.000) 5.718 8.926 ( -2.029 -0.000 0.000) 2.029 10.201 ( 1.477 0.000 -0.000) 1.477 11.514 ( 12.012 0.000 -0.000) 12.012 12.166 ( 21.066 0.000 -0.000) 21.066 12.777 ( 16.623 0.000 -0.000) 16.623 13.367 ( -1.981 -0.000 0.000) 1.981 15.016 ( -10.488 -0.000 0.000) 10.488 16.495 ( 9.409 0.000 -0.000) 9.409 ======================= Grid point 48 (35/344) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.000 22.424 8.295) 23.909 1.978 ( 0.000 20.120 8.850) 21.980 3.120 ( -0.000 40.921 3.310) 41.055 3.372 ( -0.000 9.221 -3.237) 9.773 4.290 ( -0.000 26.085 -4.257) 26.430 5.600 ( 0.000 2.770 0.810) 2.886 6.566 ( 0.000 -0.768 0.062) 0.771 6.610 ( -0.000 -12.742 -4.035) 13.366 7.811 ( 0.000 -26.606 14.799) 30.445 8.428 ( -0.000 -0.358 -1.669) 1.707 8.662 ( -0.000 7.109 -0.873) 7.163 10.148 ( -0.000 2.469 -3.247) 4.079 11.628 ( 0.000 -14.487 0.930) 14.517 12.410 ( 0.000 -17.344 -0.528) 17.353 12.873 ( -0.000 -16.389 -7.566) 18.051 13.292 ( -0.000 -1.818 -0.671) 1.938 15.122 ( 0.000 11.220 15.765) 19.350 16.339 ( -0.000 -3.439 -15.754) 16.125 ======================= Grid point 49 (36/344) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 4.184 21.405 5.091) 22.396 2.302 ( 9.804 16.808 6.827) 20.622 3.433 ( 1.520 16.307 -1.007) 16.408 3.667 ( 14.964 23.275 -2.976) 27.830 4.549 ( 3.668 22.574 -3.369) 23.117 5.631 ( -2.674 6.113 4.266) 7.919 6.449 ( 0.407 -17.132 0.027) 17.136 6.515 ( -3.496 -4.944 -1.036) 6.143 7.411 ( -21.002 -12.129 8.940) 25.848 8.472 ( 4.343 1.768 -1.089) 4.814 8.820 ( 7.095 3.531 0.208) 7.928 10.141 ( -1.480 -0.955 -4.885) 5.193 11.475 ( -0.876 -14.050 0.309) 14.081 12.179 ( -6.948 -16.553 2.670) 18.150 12.618 ( -5.719 -16.155 -9.166) 19.434 13.314 ( 3.739 -0.125 -0.520) 3.777 15.271 ( -0.215 8.051 14.501) 16.588 16.266 ( 1.300 -5.567 -12.288) 13.553 ======================= Grid point 50 (37/344) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 10.217 17.972 1.340) 20.717 2.683 ( 12.513 17.789 6.295) 22.642 3.599 ( 3.606 9.166 -2.603) 10.188 4.130 ( 17.803 14.410 -9.221) 24.691 4.850 ( 7.385 19.494 1.693) 20.915 5.651 ( -5.655 8.193 6.222) 11.739 6.278 ( 2.681 -23.601 2.931) 23.933 6.375 ( -6.341 -3.469 2.808) 7.754 7.040 ( -17.359 -0.661 7.898) 19.083 8.581 ( 5.182 3.972 -3.472) 7.395 8.929 ( 3.307 1.007 -0.386) 3.478 9.995 ( -9.673 -5.013 -10.465) 15.107 11.316 ( -4.417 -10.992 0.876) 11.879 11.921 ( -5.715 -12.264 5.163) 14.482 12.339 ( -4.507 -15.087 -8.583) 17.933 13.405 ( 4.862 3.649 -0.803) 6.132 15.361 ( -2.566 5.282 11.089) 12.548 16.167 ( 0.151 -10.568 -7.056) 12.708 ======================= Grid point 51 (38/344) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 10.649 11.848 1.803) 16.032 3.129 ( 12.963 22.669 2.563) 26.240 3.710 ( 3.239 4.102 -4.128) 6.660 4.490 ( 16.483 7.035 -13.480) 22.425 5.181 ( 8.416 14.812 6.879) 18.372 5.626 ( -8.858 7.783 5.017) 12.815 6.114 ( 4.584 -23.708 6.177) 24.925 6.305 ( -1.818 0.020 10.546) 10.701 6.831 ( -10.849 0.865 5.613) 12.246 8.677 ( 1.090 6.331 -5.430) 8.411 8.974 ( 3.356 -2.057 -0.931) 4.044 9.653 ( -16.412 -6.720 -15.864) 23.795 11.105 ( -7.716 -8.965 1.768) 11.959 11.778 ( -7.035 -2.379 4.195) 8.529 12.133 ( 2.039 -14.840 -4.869) 15.751 13.548 ( 5.177 8.414 -1.064) 9.937 15.357 ( -6.294 2.809 7.178) 9.952 16.020 ( 0.645 -16.173 -2.774) 16.422 ======================= Grid point 52 (39/344) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 9.281 8.671 3.751) 13.244 3.497 ( 2.751 16.680 -5.814) 17.877 3.835 ( 10.114 7.693 -1.312) 12.775 4.745 ( 9.433 7.988 -13.826) 18.546 5.425 ( 1.256 7.196 9.124) 11.688 5.571 ( -3.371 3.918 4.955) 7.160 6.013 ( 5.522 -18.872 6.786) 20.801 6.373 ( 2.575 1.079 14.183) 14.455 6.692 ( -5.999 -3.322 2.489) 7.295 8.684 ( -6.049 6.786 -5.385) 10.566 8.997 ( 4.195 -5.544 -6.921) 9.810 9.281 ( -12.561 -2.056 -10.114) 16.258 10.932 ( -3.963 -5.834 2.440) 7.463 11.593 ( -13.966 1.114 0.285) 14.014 12.092 ( 6.672 -9.553 -0.574) 11.666 13.740 ( 4.434 13.795 -1.017) 14.526 15.251 ( -9.169 -0.555 3.533) 9.842 15.868 ( 3.819 -20.284 -0.064) 20.640 ======================= Grid point 53 (40/344) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 3.787 7.941 4.211) 9.754 3.540 ( -0.010 1.546 -8.095) 8.241 4.174 ( 9.982 18.425 -1.882) 21.040 4.841 ( -6.594 14.038 -11.928) 19.566 5.449 ( -0.242 -0.597 6.778) 6.809 5.627 ( 2.849 -3.700 6.731) 8.193 5.972 ( 4.938 -13.284 7.752) 16.153 6.408 ( -6.046 0.434 -1.029) 6.148 6.608 ( 4.365 -9.665 6.865) 12.634 8.596 ( -6.315 4.495 -2.618) 8.181 8.950 ( -0.619 1.882 -13.129) 13.278 9.183 ( 0.810 -1.038 4.160) 4.363 10.871 ( 1.032 -4.277 2.714) 5.169 11.372 ( -13.530 4.933 -0.610) 14.414 12.114 ( 4.037 -5.481 -0.936) 6.872 13.946 ( -0.134 19.079 -0.533) 19.087 15.082 ( -6.620 -5.370 1.110) 8.596 15.757 ( 7.368 -21.323 0.587) 22.567 ======================= Grid point 54 (41/344) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( -7.275 3.010 -3.396) 8.574 3.613 ( 6.593 1.952 1.152) 6.971 4.388 ( -7.140 12.619 -5.441) 15.486 4.796 ( -8.545 20.397 -6.856) 23.153 5.481 ( 2.575 -3.522 2.527) 5.042 5.600 ( -1.566 -7.033 5.332) 8.963 5.954 ( 3.802 -11.342 8.600) 14.733 6.213 ( -7.565 -4.813 -14.899) 17.389 6.647 ( 6.563 -10.052 7.563) 14.188 8.611 ( 0.489 7.596 3.659) 8.446 8.965 ( 1.672 5.668 -7.136) 9.265 9.232 ( 4.055 -1.542 6.776) 8.046 10.859 ( 2.770 -8.291 1.611) 8.889 11.281 ( -7.057 14.798 0.757) 16.412 12.103 ( 1.805 -5.482 -2.989) 6.500 14.057 ( -10.565 19.123 0.168) 21.848 14.985 ( 3.046 -5.714 0.100) 6.476 15.703 ( 10.252 -20.072 -0.328) 22.541 ======================= Grid point 55 (42/344) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -9.189 0.267 -3.490) 9.833 3.729 ( 0.900 4.537 3.097) 5.566 4.146 ( -22.778 3.357 -4.600) 23.479 4.920 ( -2.660 20.282 -7.465) 21.775 5.417 ( -4.548 -5.776 3.223) 8.027 5.532 ( -1.975 -2.714 1.191) 3.562 5.938 ( 3.363 -10.580 4.707) 12.058 6.015 ( -1.507 -6.195 -12.454) 13.991 6.674 ( 5.406 -9.056 4.732) 11.560 8.730 ( 0.333 9.865 3.238) 10.388 9.022 ( 1.973 -0.233 -2.713) 3.363 9.384 ( 10.427 3.560 9.637) 14.638 10.828 ( 4.547 -8.505 -0.181) 9.646 11.409 ( -0.717 19.773 2.766) 19.979 12.057 ( 2.979 -8.356 -4.758) 10.067 13.961 ( -16.302 10.524 0.310) 19.406 15.072 ( 7.542 1.484 0.610) 7.710 15.716 ( 13.169 -16.502 -1.761) 21.186 ======================= Grid point 56 (43/344) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( -11.052 -0.287 -1.632) 11.176 3.609 ( -27.707 5.910 0.314) 28.332 3.852 ( -3.825 -2.704 -0.648) 4.728 4.951 ( -9.961 9.634 -5.872) 15.051 5.310 ( -4.671 -3.159 4.160) 7.008 5.459 ( -4.180 -0.314 -0.391) 4.210 5.879 ( 3.941 -3.923 -6.951) 8.901 6.012 ( 6.868 -5.435 1.515) 8.888 6.695 ( 4.257 -5.585 2.516) 7.460 8.813 ( -2.691 8.191 1.614) 8.771 9.002 ( -0.226 -3.868 -1.184) 4.051 9.688 ( 14.471 4.407 7.196) 16.752 10.883 ( 9.809 -4.175 -0.379) 10.668 11.594 ( -0.461 14.197 2.030) 14.349 12.053 ( 9.647 -7.970 -3.666) 13.040 13.761 ( -14.250 3.731 0.144) 14.731 15.204 ( 3.288 2.959 1.026) 4.541 15.832 ( 15.808 -8.543 -2.055) 18.086 ======================= Grid point 57 (44/344) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.795 ( -14.138 -0.000 0.000) 14.138 3.102 ( -31.540 -0.000 0.000) 31.540 3.771 ( -6.291 -0.000 0.000) 6.291 4.719 ( -20.461 -0.000 0.000) 20.461 5.163 ( -11.862 -0.000 0.000) 11.862 5.416 ( -0.264 -0.000 0.000) 0.264 6.029 ( 15.578 0.000 -0.000) 15.578 6.119 ( 9.013 0.000 -0.000) 9.013 6.733 ( 3.188 0.000 -0.000) 3.188 8.778 ( -6.503 -0.000 0.000) 6.503 8.973 ( -0.474 -0.000 0.000) 0.474 9.958 ( 12.002 0.000 -0.000) 12.002 11.072 ( 13.485 0.000 -0.000) 13.485 11.683 ( 4.541 0.000 -0.000) 4.541 12.227 ( 14.544 0.000 -0.000) 14.544 13.568 ( -10.046 -0.000 0.000) 10.046 15.232 ( -1.776 -0.000 0.000) 1.776 16.062 ( 15.301 0.000 -0.000) 15.301 ======================= Grid point 64 (45/344) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -0.000 17.515 3.835) 17.930 2.363 ( 0.000 13.840 5.415) 14.861 3.535 ( -0.000 8.912 -2.774) 9.334 3.778 ( -0.000 23.801 -6.391) 24.644 4.726 ( -0.000 21.500 -1.373) 21.543 5.749 ( 0.000 6.688 8.826) 11.074 6.230 ( 0.000 -21.194 0.779) 21.208 6.531 ( -0.000 -2.270 -1.231) 2.582 7.472 ( 0.000 -14.109 2.671) 14.359 8.461 ( 0.000 4.061 0.939) 4.169 8.836 ( 0.000 9.499 2.231) 9.757 10.125 ( -0.000 -2.199 -3.543) 4.170 11.315 ( 0.000 -16.487 -1.178) 16.529 12.093 ( 0.000 -15.979 4.501) 16.601 12.476 ( -0.000 -16.354 -10.809) 19.603 13.263 ( 0.000 -0.919 0.215) 0.944 15.377 ( 0.000 3.286 14.042) 14.421 16.192 ( -0.000 -0.770 -11.927) 11.952 ======================= Grid point 65 (46/344) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 4.676 16.025 0.668) 16.707 2.620 ( 11.644 11.217 5.456) 17.064 3.635 ( 2.186 8.372 -2.708) 9.067 3.992 ( 8.150 10.952 -12.424) 18.458 4.972 ( 3.104 21.310 3.244) 21.778 5.783 ( 0.490 -9.246 12.424) 15.495 6.073 ( -2.421 -5.864 0.041) 6.344 6.457 ( -4.635 -2.194 0.171) 5.131 7.274 ( -9.273 -6.563 2.454) 11.623 8.534 ( 2.575 5.183 -0.431) 5.803 8.944 ( 0.218 7.386 1.640) 7.569 10.042 ( -4.998 -4.972 -6.270) 9.435 11.190 ( 3.923 -13.839 -0.849) 14.409 11.895 ( -5.671 -15.777 6.780) 18.084 12.244 ( -4.060 -13.304 -11.089) 17.789 13.323 ( 6.523 1.040 -0.015) 6.605 15.435 ( 0.327 -1.027 10.467) 10.522 16.125 ( -3.895 -0.733 -7.488) 8.472 ======================= Grid point 66 (47/344) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 7.642 11.547 0.564) 13.858 3.032 ( 19.509 13.535 3.422) 23.989 3.714 ( -0.046 4.959 -5.147) 7.147 4.218 ( 15.267 4.167 -12.681) 20.280 5.252 ( 4.265 17.440 5.636) 18.817 5.708 ( 6.269 -22.432 11.188) 25.839 5.986 ( -10.009 6.803 1.118) 12.153 6.385 ( -3.051 0.828 6.153) 6.918 7.072 ( -11.395 -0.844 4.526) 12.289 8.640 ( 4.683 4.239 -2.646) 6.848 8.980 ( -2.722 4.115 -0.829) 5.003 9.786 ( -13.117 -7.734 -12.378) 19.623 11.121 ( -1.378 -8.585 0.936) 8.745 11.738 ( 3.830 -12.212 8.060) 15.125 12.012 ( -5.667 -10.060 -9.117) 14.712 13.492 ( 9.128 5.455 -0.665) 10.655 15.435 ( -0.376 -5.302 7.377) 9.093 15.976 ( -8.836 -3.340 -3.784) 10.176 ======================= Grid point 67 (48/344) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 9.250 7.766 1.640) 12.189 3.537 ( 17.304 17.122 -0.174) 24.344 3.706 ( 1.846 -0.539 -6.312) 6.598 4.511 ( 17.843 4.202 -9.934) 20.850 5.465 ( 3.083 6.900 5.381) 9.277 5.674 ( 9.475 -17.445 9.350) 21.944 5.861 ( -13.123 7.152 2.599) 15.170 6.408 ( -0.083 2.071 11.093) 11.285 6.885 ( -12.587 0.527 5.091) 13.588 8.751 ( 4.971 3.266 -4.154) 7.255 8.925 ( -5.742 0.198 -4.514) 7.307 9.417 ( -13.380 -6.488 -13.256) 19.920 10.986 ( -5.840 -4.257 4.090) 8.303 11.779 ( -8.271 -6.610 -7.267) 12.842 11.827 ( 11.769 -6.918 6.062) 14.936 13.734 ( 9.837 10.927 -1.113) 14.745 15.369 ( -1.978 -8.023 5.225) 9.777 15.736 ( -10.905 -8.076 -1.839) 13.694 ======================= Grid point 68 (49/344) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.267 ( 9.761 5.172 2.571) 11.342 3.588 ( -4.966 0.747 -7.443) 8.979 4.086 ( 19.779 14.738 -1.173) 24.694 4.821 ( 14.678 6.994 -8.632) 18.409 5.533 ( 1.788 -2.964 3.960) 5.260 5.673 ( -11.537 1.937 6.527) 13.396 5.753 ( 5.677 -8.348 5.944) 11.716 6.473 ( 1.126 0.296 9.806) 9.875 6.667 ( -14.349 -1.364 3.022) 14.727 8.755 ( -8.988 0.790 -7.466) 11.711 8.846 ( 5.381 0.424 -5.238) 7.521 9.195 ( -3.512 -2.540 -5.344) 6.880 10.898 ( -4.192 -0.267 6.624) 7.844 11.559 ( -7.255 -4.190 -6.869) 10.834 11.975 ( 7.440 -2.254 3.545) 8.544 14.035 ( 9.434 16.542 -1.144) 19.077 15.234 ( -9.018 -4.816 3.233) 10.722 15.464 ( -3.124 -17.984 -0.796) 18.271 ======================= Grid point 69 (50/344) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( -2.753 1.489 -0.605) 3.188 3.501 ( 6.138 1.140 -2.192) 6.617 4.496 ( 9.943 14.061 -3.311) 17.537 5.055 ( 2.741 13.316 -9.143) 16.384 5.455 ( -7.890 -2.273 5.501) 9.883 5.563 ( -0.588 -4.534 4.650) 6.521 5.789 ( 6.376 -11.197 6.843) 14.590 6.359 ( -16.917 -1.272 -6.261) 18.084 6.522 ( 1.964 -4.738 7.834) 9.364 8.681 ( -0.042 4.867 -0.934) 4.956 8.917 ( 3.879 0.473 -3.312) 5.122 9.157 ( 2.595 -2.128 -2.161) 3.992 10.845 ( -4.758 -1.159 5.585) 7.428 11.450 ( -1.129 3.142 -3.856) 5.100 12.036 ( 0.904 -1.900 0.406) 2.143 14.347 ( 2.811 21.279 -0.538) 21.471 14.990 ( -11.498 -4.034 0.688) 12.204 15.314 ( 8.845 -22.984 0.233) 24.628 ======================= Grid point 70 (51/344) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.327 ( -7.506 -0.387 -2.299) 7.860 3.674 ( 8.014 1.708 1.463) 8.323 4.553 ( -15.867 5.891 -2.893) 17.170 5.146 ( -3.082 18.439 -7.890) 20.291 5.383 ( 0.458 -10.073 5.944) 11.705 5.519 ( -0.376 -2.372 2.252) 3.292 5.820 ( 5.750 -7.295 6.562) 11.373 6.038 ( -13.394 -2.240 -9.221) 16.415 6.542 ( 3.432 -3.980 3.166) 6.136 8.801 ( 3.595 8.336 2.228) 9.348 8.954 ( 2.691 -3.664 -1.078) 4.672 9.238 ( 9.273 -0.142 0.163) 9.275 10.755 ( -3.213 -3.008 1.469) 4.640 11.557 ( 5.324 9.821 1.164) 11.231 11.968 ( -4.099 -5.200 -2.256) 6.995 14.367 ( -18.832 9.258 0.244) 20.986 14.969 ( 8.084 6.097 -0.001) 10.125 15.299 ( 14.083 -18.637 -0.370) 23.362 ======================= Grid point 71 (52/344) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -8.993 -0.000 0.000) 8.993 3.798 ( 4.600 0.000 -0.000) 4.600 4.163 ( -28.450 -0.000 0.000) 28.450 5.168 ( -8.996 -0.000 0.000) 8.996 5.318 ( 1.445 0.000 -0.000) 1.445 5.512 ( -1.504 -0.000 0.000) 1.504 5.839 ( -4.836 -0.000 0.000) 4.836 5.893 ( 5.154 0.000 -0.000) 5.154 6.595 ( 4.534 0.000 -0.000) 4.534 8.909 ( -1.173 -0.000 0.000) 1.173 8.942 ( 2.744 0.000 -0.000) 2.744 9.461 ( 14.858 0.000 -0.000) 14.858 10.737 ( 3.569 0.000 -0.000) 3.569 11.791 ( 11.004 0.000 -0.000) 11.004 11.793 ( -8.078 -0.000 0.000) 8.078 14.066 ( -18.704 -0.000 0.000) 18.704 15.148 ( 5.938 0.000 -0.000) 5.938 15.481 ( 17.918 0.000 -0.000) 17.918 ======================= Grid point 80 (53/344) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 0.000 8.923 2.968) 9.404 2.649 ( -0.000 12.672 1.017) 12.713 3.677 ( -0.000 6.926 -2.120) 7.244 3.957 ( -0.000 4.203 -14.857) 15.440 5.178 ( 0.000 21.499 5.262) 22.134 5.578 ( 0.000 -28.253 10.603) 30.177 6.195 ( -0.000 13.792 2.878) 14.089 6.470 ( -0.000 -2.510 -1.548) 2.949 7.260 ( -0.000 -7.694 -2.430) 8.068 8.591 ( 0.000 7.334 2.100) 7.628 9.047 ( 0.000 8.948 3.907) 9.763 10.023 ( -0.000 -5.202 -3.697) 6.382 10.982 ( 0.000 -15.029 -2.458) 15.229 11.818 ( 0.000 -16.216 6.483) 17.464 12.122 ( -0.000 -10.269 -11.142) 15.153 13.255 ( 0.000 -0.238 0.579) 0.626 15.433 ( 0.000 -3.763 5.574) 6.726 16.167 ( -0.000 3.015 -3.037) 4.279 ======================= Grid point 81 (54/344) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 3.623 10.032 0.382) 10.673 2.833 ( 14.534 7.816 2.052) 16.630 3.746 ( 0.470 4.645 -3.580) 5.884 3.988 ( 8.439 0.391 -12.750) 15.295 5.365 ( 3.677 -20.395 6.811) 21.814 5.417 ( 2.302 11.450 7.788) 14.037 6.264 ( -8.391 10.702 1.961) 13.740 6.446 ( -0.435 1.442 2.329) 2.774 7.168 ( -2.577 -4.398 -1.503) 5.315 8.664 ( -0.625 6.849 1.998) 7.162 9.102 ( -4.175 6.441 2.200) 7.985 9.870 ( -9.225 -7.145 -7.335) 13.783 10.939 ( 9.801 -10.192 -1.288) 14.198 11.625 ( -4.258 -15.488 5.408) 16.948 11.981 ( -2.805 -6.269 -7.560) 10.214 13.350 ( 9.822 1.552 0.202) 9.945 15.393 ( -0.934 -6.153 2.584) 6.738 16.130 ( -7.303 2.634 -0.058) 7.764 ======================= Grid point 82 (55/344) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( 6.445 6.806 0.921) 9.418 3.258 ( 24.146 7.717 0.445) 25.353 3.727 ( -2.863 0.978 -6.674) 7.327 4.197 ( 17.420 1.588 -6.950) 18.823 5.277 ( 9.047 -20.675 6.231) 23.412 5.601 ( 1.007 11.348 5.519) 12.659 6.177 ( -11.537 7.253 1.968) 13.769 6.481 ( -1.240 3.679 6.603) 7.660 7.066 ( -6.159 -1.472 0.878) 6.393 8.719 ( -0.115 4.044 1.476) 4.307 9.057 ( -6.688 3.884 -1.447) 7.869 9.540 ( -14.600 -7.915 -11.487) 20.193 11.008 ( 3.168 -3.030 0.727) 4.444 11.504 ( 6.795 -14.192 3.151) 16.047 11.857 ( -3.598 -2.304 -2.996) 5.218 13.602 ( 14.672 5.633 -0.325) 15.719 15.292 ( -2.347 -9.627 1.292) 9.992 15.964 ( -14.360 1.211 1.033) 14.448 ======================= Grid point 83 (56/344) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( 8.522 4.071 1.114) 9.510 3.630 ( -1.210 -1.882 -5.436) 5.879 3.798 ( 23.964 9.006 -0.649) 25.609 4.528 ( 20.164 2.413 -4.381) 20.775 5.309 ( 11.861 -12.964 3.805) 17.979 5.700 ( -0.906 4.623 4.326) 6.396 6.023 ( -15.200 5.412 2.256) 16.292 6.513 ( -1.028 1.594 7.119) 7.367 6.918 ( -11.516 0.090 2.654) 11.819 8.726 ( -1.222 -2.290 -2.111) 3.346 8.960 ( -7.328 5.812 -4.339) 10.310 9.223 ( -8.226 -5.918 -7.081) 12.363 11.008 ( -2.843 2.961 5.634) 6.971 11.475 ( 2.901 -12.797 -6.692) 14.729 11.866 ( 5.689 1.118 3.353) 6.698 13.949 ( 16.264 10.413 -0.623) 19.322 15.142 ( -1.855 -13.104 0.808) 13.260 15.675 ( -19.724 -0.419 0.965) 19.752 ======================= Grid point 84 (57/344) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 9.700 1.807 0.903) 9.908 3.539 ( -4.714 -0.762 -2.954) 5.615 4.294 ( 22.881 5.953 -1.012) 23.664 4.882 ( 18.603 2.708 -2.856) 19.015 5.442 ( 11.990 -4.168 1.653) 12.801 5.687 ( -3.954 -1.164 2.578) 4.862 5.769 ( -18.627 1.318 2.119) 18.794 6.518 ( -1.339 -0.241 3.516) 3.770 6.669 ( -18.310 -0.226 1.190) 18.350 8.660 ( 1.053 -1.890 -4.027) 4.571 8.931 ( -3.155 5.176 0.712) 6.103 9.093 ( 0.111 -4.029 -3.608) 5.409 10.995 ( -7.100 3.707 6.276) 10.176 11.379 ( 3.346 -6.162 -6.563) 9.604 11.998 ( 4.957 0.768 1.909) 5.367 14.354 ( 16.481 13.864 -0.618) 21.546 14.996 ( 1.436 -14.709 0.555) 14.789 15.299 ( -22.421 -1.600 0.453) 22.483 ======================= Grid point 85 (58/344) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( -6.081 -0.000 0.000) 6.081 3.528 ( 9.755 0.000 -0.000) 9.755 4.632 ( 10.389 0.000 -0.000) 10.389 5.172 ( 12.766 0.000 -0.000) 12.766 5.445 ( -17.099 -0.000 0.000) 17.099 5.582 ( -6.187 -0.000 0.000) 6.187 5.638 ( 10.826 0.000 -0.000) 10.826 6.321 ( -20.352 -0.000 0.000) 20.352 6.503 ( -0.136 -0.000 0.000) 0.136 8.736 ( 7.724 0.000 -0.000) 7.724 8.918 ( -1.014 -0.000 0.000) 1.014 9.111 ( 4.678 0.000 -0.000) 4.678 10.864 ( -9.212 -0.000 0.000) 9.212 11.457 ( 8.333 0.000 -0.000) 8.333 12.026 ( -2.479 -0.000 0.000) 2.479 14.692 ( 0.879 0.000 -0.000) 0.879 14.934 ( 4.054 0.000 -0.000) 4.054 14.965 ( -5.348 -0.000 0.000) 5.348 ======================= Grid point 96 (59/344) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.000 5.040 1.468) 5.249 2.859 ( -0.000 8.210 -0.014) 8.210 3.776 ( -0.000 4.224 -1.369) 4.440 3.856 ( -0.000 -2.780 -12.330) 12.639 5.104 ( 0.000 -23.163 7.138) 24.237 5.586 ( 0.000 14.716 4.937) 15.522 6.419 ( -0.000 -1.660 -1.029) 1.953 6.488 ( 0.000 11.551 3.203) 11.987 7.128 ( -0.000 -3.797 -2.958) 4.813 8.754 ( 0.000 6.874 2.502) 7.315 9.222 ( 0.000 5.759 3.344) 6.660 9.885 ( -0.000 -5.648 -3.482) 6.635 10.709 ( -0.000 -10.227 -2.251) 10.472 11.544 ( 0.000 -13.245 2.067) 13.406 11.932 ( -0.000 -3.920 -4.888) 6.266 13.258 ( 0.000 0.095 0.472) 0.482 15.360 ( 0.000 -4.397 0.392) 4.415 16.228 ( 0.000 2.722 1.497) 3.107 ======================= Grid point 97 (60/344) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 8.531 3.140 4.924) 10.339 2.963 ( 10.290 6.069 -4.159) 12.650 3.749 ( -2.096 -0.634 -5.726) 6.131 3.931 ( 11.608 0.711 -4.013) 12.303 4.975 ( 5.730 -16.385 4.935) 18.045 5.722 ( -0.236 9.565 3.535) 10.200 6.365 ( -4.432 1.030 0.339) 4.562 6.576 ( -2.068 6.482 2.997) 7.434 7.088 ( -0.427 -2.191 -2.006) 3.001 8.809 ( -1.806 5.335 2.747) 6.267 9.215 ( -6.737 3.312 1.910) 7.746 9.684 ( -13.374 -5.902 -6.262) 15.903 10.779 ( 15.090 -4.998 -0.949) 15.924 11.390 ( -3.784 -9.621 1.843) 10.502 11.871 ( -2.021 -2.090 -2.459) 3.807 13.381 ( 12.817 1.173 0.175) 12.871 15.287 ( -3.786 -4.335 -0.157) 5.757 16.185 ( -8.228 1.703 1.540) 8.543 ======================= Grid point 98 (61/344) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 5.777 2.448 0.632) 6.306 3.349 ( 24.422 1.978 -0.627) 24.510 3.696 ( -1.181 0.021 -2.905) 3.136 4.192 ( 18.391 0.719 -1.838) 18.496 5.010 ( 10.708 -8.050 2.344) 13.600 5.785 ( -1.545 4.106 1.949) 4.801 6.279 ( -8.702 2.168 0.928) 9.016 6.581 ( -2.764 2.086 2.769) 4.433 7.041 ( -3.326 -0.730 -0.361) 3.425 8.803 ( -5.259 2.175 2.386) 6.171 9.105 ( -7.321 1.749 -1.077) 7.603 9.350 ( -14.920 -4.097 -5.417) 16.393 11.005 ( 10.807 1.473 0.347) 10.913 11.282 ( 0.918 -7.744 0.417) 7.809 11.826 ( -0.014 -0.357 -0.286) 0.458 13.689 ( 19.715 2.621 -0.055) 19.889 15.146 ( -7.121 -4.295 -0.079) 8.317 15.993 ( -15.623 0.612 0.841) 15.657 ======================= Grid point 99 (62/344) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 8.210 0.000 -0.000) 8.210 3.587 ( -0.822 -0.000 0.000) 0.822 3.885 ( 25.244 0.000 -0.000) 25.244 4.539 ( 21.006 0.000 -0.000) 21.006 5.187 ( 13.524 0.000 -0.000) 13.524 5.763 ( -3.527 -0.000 0.000) 3.527 6.086 ( -15.375 -0.000 0.000) 15.375 6.555 ( -1.963 -0.000 0.000) 1.963 6.927 ( -10.533 -0.000 0.000) 10.533 8.689 ( -6.731 -0.000 0.000) 6.731 9.049 ( -0.940 -0.000 0.000) 0.940 9.097 ( -10.375 -0.000 0.000) 10.375 11.129 ( -0.805 -0.000 0.000) 0.805 11.251 ( 2.775 0.000 -0.000) 2.775 11.890 ( 6.897 0.000 -0.000) 6.897 14.071 ( 21.637 0.000 -0.000) 21.637 14.990 ( -6.836 -0.000 0.000) 6.836 15.678 ( -20.995 -0.000 0.000) 20.995 ======================= Grid point 113 (63/344) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 0.000 1.635 0.447) 1.695 2.974 ( -0.000 3.098 -0.014) 3.098 3.738 ( -0.000 -1.991 -4.702) 5.106 3.826 ( -0.000 1.403 -0.479) 1.483 4.811 ( 0.000 -8.790 2.640) 9.178 5.807 ( 0.000 5.016 1.752) 5.313 6.392 ( -0.000 -0.546 -0.330) 0.638 6.664 ( 0.000 4.209 1.324) 4.412 7.066 ( -0.000 -1.066 -1.283) 1.668 8.872 ( 0.000 2.966 1.329) 3.250 9.314 ( 0.000 1.863 1.266) 2.253 9.777 ( -0.000 -2.657 -1.672) 3.140 10.560 ( -0.000 -3.551 -0.879) 3.658 11.364 ( 0.000 -4.896 0.142) 4.898 11.868 ( -0.000 -1.012 -1.071) 1.473 13.263 ( 0.000 0.087 0.171) 0.192 15.295 ( 0.000 -1.709 -0.285) 1.732 16.275 ( 0.000 0.927 0.970) 1.342 ======================= Grid point 114 (64/344) ======================= q-point: (-0.47 -0.53 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 16.107 0.000 -0.000) 16.107 3.011 ( 2.651 0.000 -0.000) 2.651 3.711 ( -1.006 -0.000 0.000) 1.006 3.931 ( 11.136 0.000 -0.000) 11.136 4.825 ( 6.093 0.000 -0.000) 6.093 5.830 ( -0.692 -0.000 0.000) 0.692 6.374 ( -2.105 -0.000 0.000) 2.105 6.657 ( -3.280 -0.000 0.000) 3.280 7.058 ( -0.179 -0.000 0.000) 0.179 8.879 ( -1.471 -0.000 0.000) 1.471 9.255 ( -7.583 -0.000 0.000) 7.583 9.593 ( -15.529 -0.000 0.000) 15.529 10.726 ( 17.353 0.000 -0.000) 17.353 11.297 ( -3.993 -0.000 0.000) 3.993 11.844 ( -1.707 -0.000 0.000) 1.707 13.394 ( 14.086 0.000 -0.000) 14.086 15.241 ( -5.103 -0.000 0.000) 5.103 16.208 ( -8.425 -0.000 0.000) 8.425 ======================= Grid point 245 (65/344) ======================= q-point: ( 0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 0.000 -0.000 30.844) 30.844 0.322 ( 0.000 -0.000 30.844) 30.844 0.551 ( 0.000 -0.000 52.989) 52.989 3.082 ( -0.000 0.000 -1.834) 1.834 3.082 ( -0.000 0.000 -1.834) 1.834 5.657 ( -0.000 0.000 -4.403) 4.403 6.532 ( 0.000 -0.000 0.616) 0.616 6.532 ( 0.000 -0.000 0.616) 0.616 8.521 ( -0.000 0.000 -1.262) 1.262 8.521 ( -0.000 0.000 -1.262) 1.262 9.759 ( -0.000 0.000 -1.049) 1.049 11.371 ( 0.000 -0.000 2.379) 2.379 12.052 ( 0.000 -0.000 0.894) 0.894 12.052 ( 0.000 -0.000 0.894) 0.894 13.412 ( -0.000 0.000 -0.475) 0.475 13.412 ( -0.000 0.000 -0.475) 0.475 13.520 ( -0.000 0.000 -1.004) 1.004 16.376 ( -0.000 0.000 -0.206) 0.206 ======================= Grid point 246 (66/344) ======================= q-point: ( 0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 23.548 13.595 10.997) 29.330 0.714 ( 16.971 9.798 23.135) 30.319 1.400 ( 43.092 24.879 27.235) 56.724 3.128 ( 4.069 2.349 -1.664) 4.985 3.254 ( 15.460 8.926 -3.366) 18.166 5.624 ( -1.163 -0.671 -5.820) 5.973 6.529 ( 0.020 0.011 0.069) 0.072 6.727 ( 6.714 3.877 -15.581) 17.403 8.122 ( -29.256 -16.891 0.078) 33.782 8.563 ( 2.922 1.687 0.193) 3.379 9.417 ( -26.274 -15.169 41.731) 51.594 9.943 ( 6.115 3.531 7.809) 10.528 11.978 ( -5.722 -3.303 -0.327) 6.615 13.115 ( -8.901 -5.139 -17.255) 20.084 13.348 ( -5.199 -3.001 -7.837) 9.872 13.409 ( -0.702 -0.405 0.310) 0.868 14.195 ( 27.728 16.009 -11.007) 33.857 16.609 ( 9.082 5.244 -14.316) 17.746 ======================= Grid point 247 (67/344) ======================= q-point: ( 0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 22.794 13.160 11.973) 28.916 1.292 ( 24.083 13.904 4.690) 28.202 2.470 ( 42.034 24.268 20.139) 52.548 3.246 ( 6.387 3.687 -1.713) 7.571 3.710 ( 24.138 13.936 -4.805) 28.283 5.564 ( -2.213 -1.277 -6.084) 6.598 6.533 ( 0.318 0.184 -0.505) 0.625 6.781 ( 3.591 2.073 -13.807) 14.416 7.415 ( -30.009 -17.326 -4.426) 34.933 8.652 ( 4.356 2.515 1.728) 5.318 9.146 ( -12.046 -6.955 22.650) 26.580 10.097 ( 4.006 2.313 -0.664) 4.674 11.796 ( -9.617 -5.553 -1.478) 11.203 12.769 ( -16.056 -9.270 -6.270) 19.572 13.137 ( -9.798 -5.657 -8.653) 14.244 13.384 ( -1.635 -0.944 0.938) 2.108 14.611 ( 13.199 7.620 3.491) 15.635 16.701 ( 2.726 1.574 -6.002) 6.777 ======================= Grid point 248 (68/344) ======================= q-point: ( 0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 24.236 13.993 6.625) 28.759 1.824 ( 20.814 12.017 3.144) 24.239 3.395 ( 6.841 3.950 -2.106) 8.175 3.436 ( 36.106 20.846 15.961) 44.642 4.268 ( 25.053 14.464 -6.378) 29.624 5.485 ( -2.924 -1.688 -4.319) 5.482 6.538 ( 0.314 0.181 -0.928) 0.996 6.753 ( -19.487 -11.251 -12.110) 25.553 6.834 ( -0.905 -0.522 -2.203) 2.438 8.768 ( 4.895 2.826 2.986) 6.392 8.952 ( -10.967 -6.332 15.927) 20.348 10.078 ( -4.860 -2.806 -7.458) 9.333 11.541 ( -11.725 -6.769 -2.289) 13.731 12.373 ( -16.611 -9.590 -2.203) 19.307 12.873 ( -10.247 -5.916 -7.276) 13.891 13.344 ( -2.019 -1.166 1.222) 2.632 14.875 ( 8.848 5.108 4.737) 11.261 16.705 ( -1.213 -0.700 -0.989) 1.714 ======================= Grid point 249 (69/344) ======================= q-point: ( 0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 16.491 9.521 2.960) 19.271 2.387 ( 23.726 13.698 3.842) 27.665 3.533 ( 5.724 3.305 -2.624) 7.111 4.202 ( 25.663 14.816 9.408) 31.090 4.771 ( 20.094 11.601 -6.327) 24.050 5.410 ( -2.585 -1.492 -0.696) 3.065 6.330 ( -12.308 -7.106 4.647) 14.952 6.538 ( -0.150 -0.087 -1.043) 1.058 6.890 ( 4.636 2.677 -8.845) 10.339 8.751 ( -10.562 -6.098 12.066) 17.156 8.890 ( 4.677 2.700 3.548) 6.462 9.818 ( -14.149 -8.169 -14.722) 21.993 11.258 ( -11.880 -6.859 -2.546) 13.952 12.014 ( -13.991 -8.078 -0.495) 16.163 12.635 ( -8.426 -4.865 -4.438) 10.694 13.304 ( -1.729 -0.998 1.142) 2.300 15.056 ( 5.859 3.383 3.209) 7.488 16.645 ( -3.916 -2.261 1.674) 4.822 ======================= Grid point 250 (70/344) ======================= q-point: ( 0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 11.905 6.873 2.851) 14.039 2.927 ( 22.412 12.940 2.146) 25.968 3.634 ( 3.837 2.215 -2.770) 5.225 4.595 ( 6.431 3.713 -5.298) 9.123 5.150 ( 13.455 7.768 2.162) 15.687 5.399 ( 2.922 1.687 4.636) 5.734 6.244 ( 0.995 0.575 12.039) 12.094 6.524 ( -0.750 -0.433 -0.901) 1.250 6.973 ( 4.879 2.817 -7.497) 9.378 8.563 ( -8.675 -5.009 9.278) 13.654 9.002 ( 3.915 2.261 3.288) 5.590 9.365 ( -19.084 -11.018 -18.553) 28.806 10.992 ( -10.254 -5.920 -2.241) 12.051 11.732 ( -10.499 -6.062 -0.368) 12.129 12.461 ( -5.757 -3.324 -1.982) 6.937 13.276 ( -1.024 -0.591 0.836) 1.448 15.171 ( 3.593 2.074 1.371) 4.369 16.548 ( -4.925 -2.844 2.598) 6.253 ======================= Grid point 251 (71/344) ======================= q-point: ( 0.47 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 7.071 4.083 1.960) 8.397 3.428 ( 20.807 12.013 0.752) 24.038 3.693 ( 2.160 1.247 -1.966) 3.176 4.508 ( -8.790 -5.075 -12.334) 15.973 5.381 ( 6.884 3.974 4.783) 9.277 5.592 ( 8.121 4.689 10.485) 14.067 6.348 ( 2.854 1.648 7.384) 8.086 6.501 ( -0.889 -0.513 -0.749) 1.270 7.055 ( 4.075 2.353 -5.181) 6.998 8.441 ( -3.967 -2.290 7.426) 8.725 8.883 ( -16.379 -9.456 -13.466) 23.217 9.088 ( 2.592 1.496 2.566) 3.942 10.784 ( -7.002 -4.042 -1.659) 8.253 11.531 ( -6.751 -3.898 -1.031) 7.863 12.353 ( -3.291 -1.900 -1.143) 3.968 13.262 ( -0.401 -0.232 0.489) 0.673 15.236 ( 1.994 1.151 0.150) 2.308 16.448 ( -4.239 -2.447 2.112) 5.331 ======================= Grid point 252 (72/344) ======================= q-point: ( 0.53 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 1.860 1.074 0.114) 2.151 3.726 ( 1.186 0.684 -0.119) 1.374 3.883 ( 18.774 10.839 -1.072) 21.705 4.189 ( -14.314 -8.264 -12.187) 20.536 5.507 ( 2.013 1.162 2.225) 3.218 5.726 ( 0.120 0.069 7.040) 7.041 6.375 ( -0.998 -0.576 -3.178) 3.380 6.483 ( -0.359 -0.207 -0.755) 0.861 7.118 ( 2.475 1.429 -2.344) 3.696 8.419 ( -1.805 -1.042 -0.090) 2.086 8.623 ( -1.863 -1.076 9.335) 9.580 9.134 ( 0.638 0.368 1.848) 1.989 10.670 ( -2.326 -1.343 -1.122) 2.911 11.420 ( -2.337 -1.349 -1.753) 3.218 12.298 ( -1.206 -0.696 -1.749) 2.236 13.258 ( -0.152 -0.088 0.194) 0.261 15.268 ( 0.836 0.483 -0.124) 0.973 16.376 ( -2.306 -1.331 0.495) 2.708 ======================= Grid point 253 (73/344) ======================= q-point: (-0.40 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.914 ( -3.178 -1.835 -1.582) 3.996 3.746 ( 0.222 0.128 1.679) 1.698 3.787 ( -16.999 -9.814 -10.762) 22.385 4.274 ( 15.449 8.920 -3.503) 18.180 5.453 ( -5.867 -3.387 -4.151) 7.945 5.666 ( -5.543 -3.201 0.316) 6.409 6.305 ( -3.612 -2.086 -5.709) 7.070 6.482 ( 0.526 0.303 -0.852) 1.046 7.149 ( 0.565 0.326 0.058) 0.655 8.357 ( -1.382 -0.798 1.185) 1.988 8.851 ( 13.277 7.666 22.271) 27.038 9.127 ( -1.705 -0.984 1.235) 2.324 10.675 ( 3.044 1.758 -0.667) 3.578 11.415 ( 2.463 1.422 -2.220) 3.608 12.287 ( 1.020 0.589 -2.860) 3.093 13.255 ( -0.122 -0.070 -0.066) 0.155 15.274 ( -0.355 -0.205 0.478) 0.630 16.350 ( 0.288 0.166 -1.883) 1.912 ======================= Grid point 254 (74/344) ======================= q-point: (-0.33 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( -7.531 -4.348 -1.928) 8.908 3.340 ( -19.018 -10.980 -8.206) 23.444 3.740 ( -1.583 -0.914 2.304) 2.941 4.535 ( 7.619 4.399 -7.711) 11.698 5.297 ( -4.779 -2.759 -4.851) 7.348 5.499 ( -7.957 -4.594 -1.318) 9.282 6.165 ( -6.722 -3.881 -4.493) 8.968 6.500 ( 1.240 0.716 -0.835) 1.658 7.151 ( -0.684 -0.395 3.149) 3.246 8.376 ( 2.087 1.205 2.772) 3.673 9.065 ( -3.860 -2.229 0.482) 4.483 9.296 ( 17.411 10.052 22.413) 30.108 10.801 ( 7.891 4.556 -0.077) 9.112 11.516 ( 6.976 4.028 -2.153) 8.338 12.332 ( 4.074 2.352 -3.412) 5.811 13.253 ( 0.073 0.042 -0.349) 0.359 15.251 ( -2.072 -1.196 1.628) 2.894 16.376 ( 2.896 1.672 -4.500) 5.607 ======================= Grid point 255 (75/344) ======================= q-point: (-0.27 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -11.579 -6.685 -0.852) 13.398 2.857 ( -21.067 -12.163 -5.138) 24.863 3.683 ( -4.018 -2.320 1.802) 4.977 4.474 ( -11.671 -6.738 -10.620) 17.159 5.180 ( -6.890 -3.978 -1.876) 8.174 5.386 ( -0.684 -0.395 3.297) 3.390 6.043 ( 0.598 0.345 -4.234) 4.290 6.528 ( 1.300 0.751 -0.507) 1.585 7.144 ( -1.436 -0.829 7.782) 7.956 8.455 ( 4.191 2.420 -0.687) 4.888 8.959 ( -5.208 -3.007 -0.628) 6.046 9.748 ( 15.105 8.721 16.659) 24.119 11.025 ( 11.179 6.454 0.781) 12.932 11.718 ( 11.108 6.413 -1.183) 12.881 12.459 ( 8.017 4.629 -2.680) 9.637 13.259 ( 0.647 0.374 -0.702) 1.025 15.185 ( -4.475 -2.584 2.955) 5.953 16.446 ( 4.738 2.736 -6.796) 8.725 ======================= Grid point 256 (76/344) ======================= q-point: (-0.20 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -15.907 -9.184 1.279) 18.412 2.338 ( -23.224 -13.409 -1.607) 26.865 3.569 ( -6.219 -3.590 0.699) 7.215 3.961 ( -28.357 -16.372 -9.723) 34.157 4.875 ( -19.174 -11.070 -1.080) 22.166 5.450 ( 3.574 2.064 5.833) 7.146 6.261 ( 18.279 10.553 -2.169) 21.218 6.551 ( 0.644 0.372 0.125) 0.754 7.153 ( -0.581 -0.336 14.718) 14.734 8.552 ( 5.185 2.993 -6.975) 9.192 8.830 ( -5.450 -3.147 -1.921) 6.580 10.064 ( 8.134 4.696 8.303) 12.536 11.304 ( 12.448 7.187 1.726) 14.477 12.018 ( 15.137 8.740 0.433) 17.484 12.679 ( 11.547 6.666 -1.038) 13.373 13.280 ( 1.427 0.824 -1.105) 1.984 15.063 ( -7.311 -4.221 4.401) 9.521 16.536 ( 5.166 2.983 -8.465) 10.356 ======================= Grid point 257 (77/344) ======================= q-point: (-0.13 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -25.047 -14.461 2.634) 29.041 1.835 ( -20.628 -11.909 4.191) 24.185 3.158 ( -38.172 -22.038 -8.317) 44.855 3.412 ( -7.214 -4.165 -0.515) 8.347 4.349 ( -25.208 -14.554 0.124) 29.108 5.551 ( 3.473 2.005 2.901) 4.950 6.557 ( -0.184 -0.106 0.766) 0.795 6.706 ( 16.246 9.380 -4.833) 19.372 7.302 ( 10.777 6.222 28.523) 31.120 8.635 ( 4.949 2.857 -14.177) 15.286 8.703 ( -4.731 -2.731 -2.863) 6.167 10.172 ( -0.060 -0.034 1.467) 1.468 11.592 ( 11.635 6.717 2.379) 13.643 12.404 ( 17.857 10.310 0.897) 20.639 12.964 ( 12.898 7.446 0.097) 14.893 13.315 ( 1.992 1.150 -1.430) 2.708 14.881 ( -10.120 -5.843 6.205) 13.231 16.615 ( 4.201 2.425 -9.596) 10.752 ======================= Grid point 258 (78/344) ======================= q-point: (-0.07 0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -25.697 -14.836 8.606) 30.895 1.330 ( -25.070 -14.474 8.038) 30.044 2.178 ( -44.565 -25.729 -5.329) 51.734 3.249 ( -6.342 -3.661 -1.446) 7.464 3.769 ( -24.416 -14.097 0.352) 28.195 5.622 ( 2.294 1.324 -0.189) 2.655 6.550 ( -0.612 -0.353 1.087) 1.296 6.875 ( 2.741 1.583 -6.345) 7.090 7.878 ( 25.513 14.730 38.737) 48.667 8.599 ( -3.330 -1.923 -3.028) 4.894 8.671 ( 3.427 1.978 -20.966) 21.336 10.089 ( -6.596 -3.808 -1.557) 7.774 11.839 ( 8.859 5.115 2.453) 10.519 12.820 ( 17.933 10.353 -1.357) 20.751 13.245 ( 11.030 6.368 -0.910) 12.769 13.357 ( 2.012 1.162 -1.485) 2.757 14.646 ( -12.418 -7.169 7.596) 16.226 16.658 ( 2.613 1.509 -10.908) 11.317 ======================= Grid point 261 (79/344) ======================= q-point: ( 0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 27.466 17.302) 32.462 0.948 ( 0.000 26.870 20.672) 33.901 1.322 ( 0.000 37.374 30.674) 48.350 3.098 ( -0.000 3.928 -3.610) 5.335 3.271 ( -0.000 19.061 -2.317) 19.201 5.605 ( -0.000 -0.729 -7.031) 7.068 6.552 ( 0.000 0.807 1.358) 1.579 6.682 ( -0.000 7.595 -12.423) 14.560 8.459 ( -0.000 -1.868 -6.832) 7.083 8.506 ( -0.000 1.181 -3.015) 3.238 9.361 ( 0.000 -59.122 49.235) 76.939 9.916 ( 0.000 3.213 5.511) 6.379 12.024 ( 0.000 -4.818 2.284) 5.332 13.022 ( -0.000 -5.633 -20.888) 21.634 13.370 ( -0.000 -5.384 -4.196) 6.826 13.380 ( -0.000 -1.906 -1.333) 2.325 14.231 ( -0.000 42.538 -9.649) 43.619 16.468 ( -0.000 2.612 -13.728) 13.974 ======================= Grid point 262 (80/344) ======================= q-point: ( 0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 4.438 21.326 21.015) 30.268 1.320 ( 7.228 30.934 8.132) 32.792 2.151 ( 32.500 32.301 20.542) 50.216 3.204 ( 6.228 6.682 -3.897) 9.931 3.558 ( 10.153 22.718 -2.742) 25.034 5.562 ( -1.346 -0.434 -7.341) 7.476 6.542 ( -1.721 0.344 0.757) 1.912 6.718 ( 1.903 3.261 -11.262) 11.878 7.899 ( -39.544 -7.948 -1.758) 40.373 8.573 ( 4.542 -1.614 1.923) 5.190 9.149 ( 5.528 -26.426 23.818) 36.002 10.044 ( 5.446 4.460 -0.302) 7.046 11.897 ( -7.629 -6.022 0.927) 9.764 12.821 ( -6.692 -13.082 -10.427) 18.018 13.187 ( -8.146 -8.847 -6.207) 13.533 13.373 ( 0.900 -2.469 -0.665) 2.710 14.619 ( 4.943 23.002 4.373) 23.930 16.533 ( 9.777 -3.308 -12.139) 15.934 ======================= Grid point 263 (81/344) ======================= q-point: ( 0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 15.363 19.682 12.759) 28.039 1.785 ( 10.624 25.710 5.201) 28.301 3.056 ( 31.279 19.947 12.801) 39.244 3.405 ( 8.660 14.161 -1.705) 16.686 4.021 ( 18.737 20.129 -3.684) 27.746 5.504 ( -2.414 0.077 -6.035) 6.500 6.507 ( -1.373 -2.733 -0.344) 3.078 6.739 ( 2.278 1.594 -10.964) 11.311 7.177 ( -33.015 -7.040 1.909) 33.811 8.653 ( 6.462 -4.394 4.325) 8.931 9.063 ( -1.633 -10.707 12.094) 16.235 10.102 ( -1.605 0.333 -5.542) 5.780 11.673 ( -10.953 -6.323 -0.498) 12.657 12.489 ( -12.156 -14.434 -3.468) 19.186 12.917 ( -8.125 -10.589 -7.948) 15.534 13.360 ( -0.135 -1.233 0.094) 1.244 14.889 ( 2.829 14.283 8.050) 16.637 16.599 ( 7.112 -6.853 -6.731) 11.952 ======================= Grid point 264 (82/344) ======================= q-point: ( 0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 17.995 19.284 6.764) 27.230 2.218 ( 11.796 19.517 4.326) 23.211 3.466 ( 7.500 6.036 -1.789) 9.792 3.963 ( 25.456 20.535 5.005) 33.087 4.530 ( 19.990 15.700 -2.276) 25.520 5.446 ( -2.846 0.774 -3.033) 4.231 6.413 ( -4.562 -7.405 0.069) 8.698 6.653 ( -12.967 -0.303 -1.227) 13.029 6.817 ( -0.169 -0.299 -0.933) 0.994 8.704 ( 3.728 -9.047 6.476) 11.734 8.991 ( -3.084 0.465 6.345) 7.070 9.934 ( -11.813 -4.698 -12.473) 17.810 11.404 ( -12.621 -5.757 -1.357) 13.939 12.128 ( -12.337 -13.082 -0.389) 17.986 12.666 ( -5.933 -9.995 -6.430) 13.284 13.348 ( -1.321 1.371 0.418) 1.949 15.063 ( 1.344 8.857 6.575) 11.112 16.591 ( 3.250 -9.283 -2.210) 10.081 ======================= Grid point 265 (83/344) ======================= q-point: ( 0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 7.635 17.258 3.956) 19.281 2.706 ( 20.349 15.915 2.794) 25.984 3.606 ( 3.574 5.925 -2.882) 7.496 4.469 ( 13.899 9.946 -8.168) 18.942 4.992 ( 16.697 11.839 5.877) 21.296 5.411 ( -1.107 1.723 1.029) 2.292 6.293 ( -2.442 -1.647 9.475) 9.922 6.517 ( -3.063 -3.224 1.909) 4.840 6.860 ( 5.424 -1.522 -3.986) 6.901 8.634 ( -3.382 -8.030 6.125) 10.650 9.024 ( 0.849 4.465 4.078) 6.107 9.541 ( -19.070 -7.978 -17.332) 26.976 11.132 ( -12.008 -4.293 -1.901) 12.893 11.813 ( -10.327 -10.998 0.375) 15.091 12.478 ( -3.484 -7.935 -3.780) 9.454 13.347 ( -2.552 4.951 0.445) 5.588 15.162 ( 0.745 4.119 3.894) 5.717 16.521 ( 0.819 -10.697 0.421) 10.736 ======================= Grid point 266 (84/344) ======================= q-point: ( 0.47 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 3.930 13.641 3.052) 14.520 3.201 ( 19.306 13.354 -0.342) 23.477 3.699 ( 1.713 6.227 -2.212) 6.827 4.563 ( -3.804 2.558 -16.277) 16.910 5.317 ( 7.734 5.224 7.084) 11.717 5.530 ( 8.721 5.208 10.214) 14.405 6.342 ( 2.108 0.568 8.620) 8.893 6.455 ( 0.413 -6.067 1.524) 6.269 6.931 ( 6.914 -3.408 -2.696) 8.166 8.514 ( -4.908 -3.483 4.153) 7.313 9.052 ( -13.947 -5.395 -15.734) 21.707 9.119 ( -3.512 2.943 4.809) 6.642 10.908 ( -9.809 -0.901 -2.085) 10.069 11.556 ( -7.103 -10.446 -0.060) 12.633 12.358 ( -1.742 -5.414 -2.316) 6.141 13.361 ( -4.010 8.615 0.353) 9.509 15.206 ( 1.178 -0.048 1.556) 1.952 16.423 ( 0.230 -10.903 1.317) 10.984 ======================= Grid point 267 (85/344) ======================= q-point: ( 0.53 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -0.844 10.333 1.039) 10.420 3.585 ( 13.127 3.115 -2.915) 13.803 3.825 ( 5.455 13.454 -0.647) 14.532 4.355 ( -14.118 1.056 -15.552) 21.031 5.481 ( 4.626 2.429 4.736) 7.052 5.729 ( 3.526 0.538 11.276) 11.827 6.355 ( 0.109 -4.007 -1.400) 4.246 6.419 ( 1.480 -5.772 -1.041) 6.049 7.008 ( 6.959 -4.710 -0.096) 8.403 8.448 ( -2.048 -0.130 1.903) 2.799 8.740 ( -8.996 -0.146 -1.081) 9.062 9.176 ( -0.386 4.146 5.056) 6.550 10.770 ( -7.163 4.122 -1.717) 8.441 11.370 ( -1.771 -10.656 -1.021) 10.851 12.287 ( -0.569 -3.423 -2.513) 4.284 13.378 ( -5.686 11.216 0.255) 12.577 15.221 ( 2.230 -3.020 0.234) 3.762 16.332 ( 1.153 -10.104 0.785) 10.200 ======================= Grid point 268 (86/344) ======================= q-point: (-0.40 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( -5.643 6.863 -1.214) 8.967 3.691 ( 2.499 -2.823 -1.923) 4.232 4.025 ( -14.796 0.516 -10.143) 17.947 4.152 ( 8.596 17.135 -5.240) 19.873 5.512 ( -3.965 -1.016 -0.848) 4.180 5.712 ( -4.077 -4.501 2.529) 6.579 6.295 ( -0.827 -3.900 -5.108) 6.479 6.387 ( 3.954 -8.417 -1.038) 9.357 7.064 ( 5.243 -6.051 1.361) 8.121 8.423 ( -2.986 2.986 1.998) 4.672 8.789 ( 7.532 5.279 13.016) 15.938 9.214 ( -2.390 4.833 6.678) 8.583 10.735 ( -3.963 8.841 -0.834) 9.725 11.288 ( 4.906 -9.714 -2.161) 11.095 12.251 ( 0.893 -2.166 -3.644) 4.332 13.385 ( -7.042 11.933 0.154) 13.857 15.230 ( 2.869 -4.167 0.126) 5.060 16.273 ( 3.087 -8.728 -0.837) 9.296 ======================= Grid point 269 (87/344) ======================= q-point: (-0.33 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -9.572 3.994 -2.031) 10.568 3.530 ( -15.320 -5.689 -8.897) 18.607 3.822 ( -6.244 3.733 0.287) 7.280 4.445 ( 8.223 12.159 -8.219) 16.823 5.359 ( -7.333 -1.311 -6.481) 9.874 5.576 ( -6.641 -4.943 -1.100) 8.352 6.195 ( -3.737 -6.592 -2.063) 7.854 6.387 ( 6.054 -8.403 -0.383) 10.364 7.080 ( 4.029 -7.639 2.675) 9.041 8.438 ( -2.075 6.318 4.251) 7.893 9.031 ( 6.641 -0.023 4.828) 8.211 9.307 ( 4.071 11.300 17.750) 21.432 10.801 ( 0.365 10.775 0.124) 10.782 11.336 ( 10.767 -6.236 -2.739) 12.740 12.255 ( 3.549 -1.280 -4.703) 6.029 13.374 ( -7.319 10.745 0.011) 13.001 15.236 ( 1.923 -3.585 1.130) 4.223 16.262 ( 5.562 -7.073 -3.162) 9.538 ======================= Grid point 270 (88/344) ======================= q-point: (-0.27 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -13.160 2.239 -1.138) 13.398 3.111 ( -22.010 -5.826 -7.118) 23.855 3.767 ( -5.150 1.449 1.630) 5.593 4.555 ( -3.584 4.557 -11.095) 12.518 5.251 ( -4.981 -0.335 -1.204) 5.136 5.416 ( -4.021 -1.539 -1.916) 4.712 6.044 ( -3.688 -6.123 -0.775) 7.190 6.421 ( 6.849 -7.127 -0.694) 9.909 7.077 ( 4.126 -9.344 5.008) 11.376 8.494 ( -1.429 7.643 2.998) 8.333 9.025 ( -3.808 -1.467 0.064) 4.082 9.668 ( 12.844 11.210 17.599) 24.502 10.957 ( 5.658 9.669 0.715) 11.226 11.510 ( 14.453 -1.290 -1.909) 14.635 12.327 ( 7.867 -0.197 -4.793) 9.214 13.351 ( -6.172 8.378 -0.195) 10.408 15.224 ( -1.035 -2.306 2.875) 3.828 16.302 ( 7.876 -5.160 -5.633) 10.972 ======================= Grid point 271 (89/344) ======================= q-point: (-0.20 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -17.656 1.480 0.941) 17.742 2.624 ( -24.154 -7.860 -3.614) 25.657 3.665 ( -7.555 -1.170 0.621) 7.670 4.286 ( -23.190 -3.759 -8.650) 25.035 5.057 ( -13.606 -6.323 -4.103) 15.554 5.438 ( 2.354 0.760 7.908) 8.286 6.079 ( 11.577 6.130 -2.353) 13.309 6.472 ( 6.284 -4.880 -0.985) 8.017 7.081 ( 5.612 -10.828 8.471) 14.850 8.544 ( -1.602 5.942 -0.614) 6.185 8.926 ( -5.933 0.226 -1.123) 6.042 10.007 ( 9.310 7.097 9.471) 15.058 11.186 ( 10.185 7.869 1.136) 12.921 11.785 ( 17.229 2.139 0.012) 17.361 12.496 ( 12.768 1.296 -3.789) 13.381 13.332 ( -3.946 5.728 -0.464) 6.971 15.166 ( -5.230 -1.522 4.826) 7.278 16.386 ( 8.891 -2.935 -7.546) 12.026 ======================= Grid point 272 (90/344) ======================= q-point: (-0.13 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -26.815 -8.768 1.196) 28.237 2.202 ( -21.589 -0.238 2.660) 21.753 3.450 ( -16.235 -9.022 -1.466) 18.631 3.727 ( -30.264 0.020 -4.199) 30.554 4.636 ( -22.831 -10.658 -2.245) 25.296 5.517 ( 3.310 0.302 4.832) 5.864 6.446 ( 13.550 3.485 0.779) 14.012 6.563 ( 10.366 7.151 -3.555) 13.085 7.149 ( 12.627 -10.857 14.789) 22.272 8.534 ( -2.111 -0.212 -4.238) 4.739 8.846 ( -5.224 5.295 -2.748) 7.929 10.176 ( 2.435 2.569 2.072) 4.102 11.456 ( 12.043 5.867 1.493) 13.479 12.138 ( 20.183 3.179 1.068) 20.460 12.753 ( 15.774 2.258 -2.846) 16.187 13.329 ( -1.417 3.411 -0.743) 3.768 15.043 ( -9.435 -1.824 6.608) 11.662 16.488 ( 7.812 -0.385 -8.464) 11.524 ======================= Grid point 273 (91/344) ======================= q-point: (-0.07 0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -27.608 -9.837 6.100) 29.937 1.793 ( -26.961 -1.163 4.408) 27.343 2.783 ( -43.207 -8.431 0.575) 44.025 3.410 ( -13.032 2.778 -1.874) 13.456 4.095 ( -26.689 -8.947 -1.070) 28.169 5.582 ( 3.032 -0.069 0.029) 3.032 6.526 ( 2.461 -2.172 0.727) 3.362 6.820 ( 4.969 5.608 -6.784) 10.108 7.509 ( 31.228 -7.778 17.384) 36.578 8.468 ( -1.020 -1.633 -2.739) 3.348 8.830 ( -3.907 9.147 -2.733) 10.314 10.169 ( -4.240 0.023 -1.454) 4.483 11.708 ( 11.329 2.489 1.427) 11.687 12.533 ( 21.625 2.731 -0.483) 21.802 13.036 ( 15.415 1.351 -3.453) 15.855 13.345 ( 0.657 1.810 -0.845) 2.103 14.850 ( -12.933 -3.305 7.448) 15.286 16.581 ( 4.934 2.773 -8.462) 10.181 ======================= Grid point 277 (92/344) ======================= q-point: ( 0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 22.987 16.053) 28.038 1.579 ( 0.000 23.667 14.498) 27.755 2.296 ( 0.000 42.718 14.954) 45.260 3.186 ( -0.000 7.696 -4.485) 8.908 3.735 ( -0.000 27.378 -2.651) 27.506 5.552 ( -0.000 1.045 -6.960) 7.038 6.573 ( 0.000 0.217 0.985) 1.008 6.689 ( -0.000 0.824 -8.614) 8.653 8.301 ( -0.000 -10.057 -13.068) 16.490 8.540 ( -0.000 4.458 -2.372) 5.050 8.722 ( 0.000 -34.602 35.547) 49.607 10.044 ( -0.000 6.227 -2.142) 6.585 11.886 ( 0.000 -10.590 1.831) 10.747 12.709 ( -0.000 -13.443 -8.880) 16.111 13.149 ( -0.000 -13.063 -5.452) 14.155 13.329 ( -0.000 -2.136 -1.072) 2.389 14.852 ( 0.000 22.762 9.716) 24.748 16.349 ( -0.000 -3.173 -15.100) 15.430 ======================= Grid point 278 (93/344) ======================= q-point: ( 0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 2.535 21.174 14.237) 25.640 1.931 ( 6.771 23.720 8.918) 26.230 2.914 ( 17.284 32.315 9.353) 37.821 3.342 ( 9.507 10.515 -4.553) 14.889 4.047 ( 5.882 26.340 -1.951) 27.060 5.536 ( -1.824 3.160 -5.207) 6.358 6.539 ( -3.527 -1.319 0.419) 3.789 6.669 ( 1.739 -2.953 -6.392) 7.253 7.711 ( -34.339 -11.829 1.952) 36.372 8.526 ( 3.502 -5.263 5.255) 8.220 8.862 ( 13.795 -10.994 7.315) 19.096 10.103 ( 0.804 2.705 -4.454) 5.273 11.733 ( -4.787 -11.170 0.859) 12.183 12.492 ( -6.510 -14.563 -3.725) 16.381 12.904 ( -7.631 -14.782 -7.196) 18.125 13.327 ( 1.805 -1.400 -0.795) 2.419 15.082 ( -1.212 16.696 13.158) 21.292 16.342 ( 8.277 -6.326 -13.085) 16.725 ======================= Grid point 279 (94/344) ======================= q-point: ( 0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 11.504 19.858 8.554) 24.491 2.312 ( 7.491 22.394 6.884) 24.596 3.387 ( 9.510 11.273 -0.214) 14.750 3.758 ( 21.496 19.388 -3.685) 29.181 4.441 ( 11.812 22.080 1.673) 25.097 5.518 ( -3.598 5.265 -2.577) 6.878 6.439 ( -4.957 -3.564 0.918) 6.174 6.636 ( 2.527 -8.385 -3.546) 9.449 7.113 ( -25.959 -3.539 7.645) 27.292 8.573 ( 5.136 -4.670 3.031) 7.574 8.956 ( 5.349 -4.365 2.011) 7.191 10.030 ( -7.640 -2.341 -9.844) 12.679 11.523 ( -8.180 -9.052 0.531) 12.212 12.191 ( -10.309 -13.728 0.830) 17.188 12.610 ( -5.375 -14.479 -8.116) 17.447 13.354 ( 1.878 1.075 -0.636) 2.255 15.227 ( -3.444 11.888 11.568) 16.941 16.364 ( 7.679 -11.005 -7.865) 15.555 ======================= Grid point 280 (95/344) ======================= q-point: ( 0.40 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 14.758 15.584 3.958) 21.825 2.683 ( 7.341 23.226 5.565) 24.986 3.585 ( 5.288 6.792 -3.128) 9.159 4.255 ( 18.824 11.900 -11.839) 25.221 4.888 ( 14.573 17.189 8.485) 24.079 5.494 ( -4.894 5.725 -0.524) 7.550 6.342 ( -2.866 -2.187 5.765) 6.800 6.543 ( -1.008 -12.921 4.369) 13.677 6.833 ( -8.617 0.733 5.182) 10.082 8.604 ( 1.366 -2.318 0.455) 2.729 9.008 ( 4.030 -1.363 0.741) 4.318 9.725 ( -16.679 -6.212 -15.667) 23.712 11.276 ( -10.785 -7.224 0.305) 12.985 11.903 ( -10.693 -8.979 2.198) 14.135 12.393 ( -0.971 -12.926 -5.813) 14.207 13.411 ( 1.484 4.967 -0.565) 5.215 15.280 ( -5.232 7.189 8.004) 11.963 16.327 ( 5.333 -14.800 -3.324) 16.079 ======================= Grid point 281 (96/344) ======================= q-point: ( 0.47 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 8.187 12.782 4.917) 15.955 3.080 ( 11.011 21.084 -1.039) 23.809 3.709 ( 3.908 5.884 -3.074) 7.703 4.531 ( 7.600 7.677 -17.257) 20.359 5.288 ( 8.999 10.243 11.582) 17.890 5.496 ( 1.375 4.779 3.730) 6.217 6.328 ( 0.292 -5.606 5.815) 8.083 6.439 ( -1.214 -5.522 11.424) 12.747 6.783 ( 2.017 -4.583 2.124) 5.439 8.575 ( -3.357 0.762 -1.387) 3.712 9.059 ( 2.266 -2.461 -4.796) 5.848 9.303 ( -16.326 -4.202 -10.974) 20.115 11.043 ( -8.692 -4.423 -0.317) 9.758 11.641 ( -12.239 -5.899 1.804) 13.706 12.277 ( 1.737 -9.430 -3.353) 10.158 13.499 ( 0.204 9.977 -0.450) 9.989 15.253 ( -5.298 1.832 4.387) 7.118 16.242 ( 4.241 -16.867 -0.603) 17.403 ======================= Grid point 282 (97/344) ======================= q-point: ( 0.53 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 0.489 13.103 3.732) 13.633 3.411 ( 10.453 8.674 -6.143) 14.908 3.860 ( 5.709 11.792 -1.334) 13.169 4.552 ( -7.380 9.357 -16.887) 20.669 5.450 ( 2.977 2.907 7.427) 8.513 5.682 ( 7.727 1.311 10.986) 13.496 6.258 ( 1.358 -11.526 4.608) 12.487 6.413 ( -4.413 -0.952 0.728) 4.573 6.816 ( 7.534 -8.222 5.094) 12.260 8.513 ( -4.296 2.314 -0.921) 4.966 8.874 ( -8.828 -0.978 -13.421) 16.094 9.214 ( 1.592 0.781 6.229) 6.476 10.909 ( -4.297 0.932 -0.952) 4.499 11.381 ( -11.433 -5.924 1.444) 12.957 12.223 ( 1.701 -5.985 -2.960) 6.890 13.603 ( -2.950 15.091 -0.173) 15.378 15.181 ( -2.677 -3.598 1.655) 4.780 16.146 ( 4.589 -17.181 0.325) 17.786 ======================= Grid point 283 (98/344) ======================= q-point: ( 0.60 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -6.030 9.658 -0.777) 11.412 3.584 ( 7.373 0.695 -3.281) 8.100 4.098 ( 4.206 13.894 -5.190) 15.417 4.406 ( -14.127 14.601 -11.462) 23.327 5.532 ( 1.616 -0.475 4.188) 4.515 5.745 ( -2.580 -5.184 6.328) 8.578 6.204 ( 3.058 -9.966 4.417) 11.321 6.272 ( -3.792 -5.832 -9.623) 11.874 6.883 ( 7.450 -9.627 5.962) 13.555 8.503 ( -1.019 4.313 3.125) 5.423 8.801 ( 0.511 6.125 -2.503) 6.636 9.278 ( 2.024 0.642 7.562) 7.854 10.911 ( -0.632 8.524 -0.859) 8.590 11.157 ( -6.684 -7.605 1.023) 10.177 12.187 ( 1.310 -4.291 -4.062) 6.053 13.678 ( -7.816 17.959 0.168) 19.587 15.122 ( 1.995 -6.778 0.261) 7.071 16.068 ( 5.895 -16.288 -0.164) 17.322 ======================= Grid point 284 (99/344) ======================= q-point: (-0.33 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -8.972 5.051 -2.851) 10.684 3.652 ( -1.785 2.360 -2.045) 3.597 4.033 ( -14.340 4.945 -7.718) 17.019 4.482 ( 1.831 20.196 -7.479) 21.614 5.470 ( -7.971 -1.032 -3.520) 8.775 5.616 ( -4.304 -5.096 -0.287) 6.676 6.140 ( -0.420 -9.350 -5.353) 10.782 6.189 ( 4.722 -10.605 5.420) 12.812 6.912 ( 5.767 -11.003 5.164) 13.454 8.558 ( -1.347 7.880 3.319) 8.656 8.947 ( 6.746 5.122 2.224) 8.757 9.370 ( 4.422 2.871 11.433) 12.590 10.996 ( -7.372 9.287 1.721) 11.981 11.069 ( 9.762 -2.751 -1.232) 10.217 12.158 ( 2.410 -4.171 -5.501) 7.313 13.681 ( -11.674 16.158 0.276) 19.936 15.127 ( 5.357 -5.346 0.474) 7.583 16.029 ( 7.857 -14.607 -1.631) 16.666 ======================= Grid point 285 (100/344) ======================= q-point: (-0.27 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -10.894 2.356 -2.194) 11.359 3.471 ( -21.874 5.142 -5.272) 23.081 3.874 ( -5.336 0.777 -0.624) 5.428 4.645 ( -1.347 14.708 -10.877) 18.343 5.340 ( -4.982 2.108 -1.389) 5.585 5.480 ( -6.186 -2.838 -2.594) 7.284 6.007 ( -1.547 -10.853 -0.884) 10.998 6.201 ( 7.008 -10.092 3.476) 12.769 6.907 ( 4.861 -11.754 5.261) 13.765 8.628 ( -2.087 9.683 2.149) 10.136 9.041 ( 0.569 -0.620 0.055) 0.843 9.610 ( 11.895 6.722 12.837) 18.748 10.982 ( 2.609 -0.725 1.008) 2.889 11.292 ( 9.003 10.663 0.319) 13.959 12.163 ( 6.088 -4.374 -6.154) 9.699 13.610 ( -11.931 11.045 0.087) 16.259 15.186 ( 4.148 -1.381 2.138) 4.867 16.043 ( 10.317 -11.748 -3.603) 16.044 ======================= Grid point 286 (101/344) ======================= q-point: (-0.20 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -13.382 0.574 -0.765) 13.416 3.050 ( -28.619 3.170 -2.833) 28.933 3.785 ( -6.234 -0.649 0.025) 6.267 4.596 ( -14.213 7.408 -9.674) 18.721 5.210 ( -11.142 -3.060 -2.161) 11.755 5.441 ( 1.078 1.316 6.310) 6.536 5.950 ( 6.504 -0.486 -2.385) 6.945 6.256 ( 9.126 -8.493 1.327) 12.537 6.890 ( 4.811 -11.924 5.838) 14.121 8.677 ( -4.002 8.346 0.588) 9.274 8.995 ( -3.004 -1.662 -0.720) 3.508 9.920 ( 11.801 4.696 6.399) 14.222 11.089 ( 9.130 0.819 1.079) 9.230 11.562 ( 10.777 8.304 1.316) 13.669 12.259 ( 11.804 -2.634 -5.284) 13.198 13.508 ( -9.318 6.029 -0.189) 11.100 15.228 ( -0.671 0.356 4.124) 4.194 16.131 ( 12.268 -6.719 -4.995) 14.852 ======================= Grid point 287 (102/344) ======================= q-point: (-0.13 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -23.151 -2.173 -1.151) 23.281 2.587 ( -24.389 2.094 2.464) 24.603 3.628 ( -10.821 -1.780 -0.498) 10.978 4.250 ( -27.939 3.840 -3.758) 28.451 4.905 ( -18.357 -4.644 -3.922) 19.337 5.482 ( 1.811 -2.178 7.219) 7.754 6.249 ( 17.122 9.591 0.740) 19.639 6.365 ( 13.275 -3.262 -2.127) 13.834 6.882 ( 6.058 -12.343 6.593) 15.249 8.635 ( -7.050 2.723 -1.166) 7.647 8.941 ( -2.483 1.819 -0.958) 3.224 10.120 ( 7.105 0.509 -0.662) 7.153 11.297 ( 12.097 1.880 0.907) 12.276 11.843 ( 15.585 2.457 1.763) 15.875 12.476 ( 15.856 0.462 -3.992) 16.357 13.418 ( -5.630 2.495 -0.405) 6.172 15.185 ( -5.862 -1.057 5.141) 7.868 16.290 ( 11.791 -0.415 -4.619) 12.670 ======================= Grid point 288 (103/344) ======================= q-point: (-0.07 0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -29.871 -0.333 2.966) 30.020 2.217 ( -22.943 -1.759 2.089) 23.105 3.354 ( -22.204 1.756 2.024) 22.365 3.772 ( -27.809 2.967 0.357) 27.969 4.489 ( -24.597 -0.401 -3.092) 24.794 5.520 ( 3.108 -1.997 1.075) 3.848 6.431 ( 6.682 -1.284 0.032) 6.804 6.755 ( 12.810 11.621 -7.714) 18.938 6.936 ( 18.929 -17.596 9.041) 27.380 8.536 ( -4.599 2.258 0.721) 5.174 8.929 ( -1.782 2.540 0.658) 3.172 10.180 ( 2.032 -1.793 -3.980) 4.815 11.515 ( 12.013 -1.105 0.191) 12.065 12.170 ( 20.567 -0.532 0.725) 20.586 12.754 ( 16.296 0.883 -4.334) 16.885 13.365 ( -1.972 0.398 -0.349) 2.042 15.043 ( -10.149 -3.162 5.168) 11.820 16.480 ( 8.895 4.641 -2.991) 10.470 ======================= Grid point 293 (104/344) ======================= q-point: ( 0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 0.000 18.687 12.252) 22.345 2.073 ( 0.000 17.743 9.304) 20.034 3.160 ( -0.000 36.018 3.546) 36.192 3.333 ( -0.000 9.791 -4.241) 10.670 4.255 ( -0.000 25.558 -1.964) 25.634 5.591 ( -0.000 7.326 -2.644) 7.788 6.565 ( -0.000 -1.379 -0.358) 1.425 6.575 ( -0.000 -9.490 -2.617) 9.845 7.872 ( 0.000 -22.968 -2.569) 23.111 8.489 ( 0.000 -8.818 12.641) 15.412 8.660 ( -0.000 8.310 0.462) 8.323 10.108 ( -0.000 2.272 -4.227) 4.799 11.633 ( 0.000 -15.245 -0.130) 15.246 12.398 ( 0.000 -13.768 -1.879) 13.895 12.791 ( -0.000 -17.837 -7.809) 19.472 13.288 ( 0.000 -1.499 -0.047) 1.499 15.295 ( 0.000 11.958 17.357) 21.078 16.172 ( -0.000 -2.706 -16.173) 16.397 ======================= Grid point 294 (105/344) ======================= q-point: ( 0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 3.107 17.555 8.279) 19.656 2.380 ( 9.646 15.762 8.099) 20.177 3.415 ( 1.943 13.890 -2.584) 14.261 3.623 ( 13.575 20.644 -5.820) 25.384 4.538 ( 4.863 23.429 1.604) 23.982 5.655 ( -2.997 10.973 0.200) 11.376 6.455 ( 1.027 -15.192 1.243) 15.277 6.509 ( -3.325 -3.880 -0.188) 5.113 7.475 ( -18.410 -12.475 3.267) 22.477 8.477 ( 2.518 -1.170 2.447) 3.701 8.829 ( 6.359 3.452 1.318) 7.355 10.079 ( -3.498 -1.213 -6.974) 7.896 11.475 ( -0.243 -14.488 -0.370) 14.495 12.206 ( -6.262 -13.568 2.445) 15.142 12.519 ( -5.579 -17.405 -9.523) 20.609 13.311 ( 3.346 0.075 -0.176) 3.352 15.432 ( -1.866 7.173 16.221) 17.835 16.135 ( 3.742 -4.201 -12.957) 14.126 ======================= Grid point 295 (106/344) ======================= q-point: ( 0.40 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 9.530 15.540 4.240) 18.716 2.753 ( 11.921 16.912 7.187) 21.904 3.563 ( 3.312 8.284 -4.371) 9.935 4.017 ( 16.635 11.739 -12.055) 23.661 4.895 ( 9.125 20.266 6.663) 23.203 5.691 ( -6.855 11.932 1.372) 13.830 6.319 ( 3.071 -21.032 4.876) 21.807 6.414 ( -2.950 -2.811 4.778) 6.279 7.117 ( -16.583 -1.852 6.717) 17.987 8.547 ( 4.294 2.060 -2.666) 5.458 8.925 ( 2.795 0.806 -0.539) 2.958 9.872 ( -12.712 -5.503 -12.938) 18.955 11.325 ( -3.821 -10.898 0.799) 11.576 11.976 ( -6.372 -10.043 5.333) 13.035 12.246 ( -2.719 -15.624 -8.941) 18.206 13.397 ( 4.599 3.643 -0.727) 5.912 15.483 ( -4.717 4.372 12.369) 13.941 16.089 ( 2.790 -9.800 -7.846) 12.860 ======================= Grid point 296 (107/344) ======================= q-point: ( 0.47 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 11.351 11.292 2.791) 16.252 3.162 ( 10.161 20.951 3.735) 23.583 3.659 ( 4.063 3.178 -5.764) 7.735 4.348 ( 15.494 8.010 -13.515) 22.065 5.265 ( 10.058 13.629 9.015) 19.188 5.661 ( -9.425 9.933 1.823) 13.814 6.187 ( 4.350 -22.220 7.463) 23.840 6.420 ( 1.758 -0.109 11.431) 11.566 6.893 ( -12.252 0.694 6.190) 13.745 8.621 ( 1.108 5.076 -5.162) 7.324 8.952 ( 2.319 -3.018 -3.501) 5.171 9.490 ( -16.541 -6.169 -14.910) 23.108 11.125 ( -7.732 -7.950 2.085) 11.285 11.814 ( -9.543 -2.509 2.463) 10.170 12.086 ( 5.023 -14.002 -4.025) 15.410 13.537 ( 5.172 8.264 -1.072) 9.808 15.437 ( -8.700 2.356 8.116) 12.129 15.986 ( 2.909 -16.074 -3.761) 16.762 ======================= Grid point 297 (108/344) ======================= q-point: ( 0.53 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 10.607 8.091 3.382) 13.763 3.436 ( -0.891 13.580 -5.612) 14.721 3.820 ( 11.573 9.437 -1.719) 15.032 4.602 ( 8.032 10.456 -13.394) 18.795 5.520 ( 1.279 5.392 8.802) 10.401 5.623 ( -1.013 4.256 4.985) 6.632 6.090 ( 5.028 -18.234 7.721) 20.429 6.498 ( -0.196 0.355 9.434) 9.443 6.731 ( -6.669 -3.392 5.267) 9.150 8.632 ( -5.029 6.331 -4.456) 9.232 8.882 ( -1.378 -5.514 -13.917) 15.033 9.222 ( -3.904 -1.835 -2.282) 4.880 10.962 ( -4.853 -3.747 3.258) 6.943 11.590 ( -13.266 -1.578 -0.835) 13.386 12.083 ( 6.043 -7.423 -1.060) 9.630 13.729 ( 4.719 13.599 -1.016) 14.430 15.291 ( -11.110 -0.895 4.177) 11.903 15.862 ( 5.082 -20.261 -1.082) 20.916 ======================= Grid point 298 (109/344) ======================= q-point: ( 0.60 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( 0.075 7.373 2.731) 7.863 3.457 ( 4.219 2.296 -7.249) 8.696 4.148 ( 8.333 17.691 -3.247) 19.823 4.712 ( -5.476 15.984 -12.251) 20.870 5.523 ( -1.488 -0.985 7.186) 7.404 5.700 ( 3.181 -5.639 7.133) 9.633 6.053 ( 5.133 -12.359 6.545) 14.897 6.361 ( -13.755 -1.783 -5.464) 14.907 6.698 ( 4.843 -8.561 9.072) 13.381 8.583 ( -2.908 4.569 0.008) 5.416 8.828 ( 1.145 4.254 -9.953) 10.884 9.218 ( 3.883 -3.317 2.339) 5.617 10.907 ( -0.557 -1.774 4.388) 4.766 11.362 ( -11.952 2.686 -1.405) 12.330 12.097 ( 2.530 -4.289 -2.217) 5.451 13.941 ( 0.366 18.966 -0.460) 18.975 15.095 ( -7.695 -5.623 1.371) 9.629 15.760 ( 7.460 -21.305 -0.107) 22.573 ======================= Grid point 299 (110/344) ======================= q-point: (-0.33 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.301 ( -7.489 2.324 -3.938) 8.774 3.622 ( 7.488 3.662 0.600) 8.357 4.316 ( -8.776 13.739 -8.499) 18.385 4.719 ( -6.821 20.925 -7.452) 23.236 5.520 ( 0.247 -3.769 4.654) 5.994 5.639 ( -3.852 -6.654 1.048) 7.759 6.036 ( 2.588 -9.941 -2.404) 10.550 6.092 ( -7.356 -6.672 2.283) 10.190 6.721 ( 5.453 -10.635 6.684) 13.694 8.647 ( 1.283 7.412 2.776) 8.018 8.912 ( 4.266 6.097 -2.689) 7.912 9.283 ( 7.208 -3.641 2.940) 8.594 10.885 ( 0.616 -7.674 3.370) 8.404 11.289 ( -5.222 14.905 0.700) 15.809 12.065 ( 0.434 -4.919 -4.331) 6.568 14.059 ( -10.340 19.167 0.252) 21.779 14.986 ( 2.987 -5.798 0.131) 6.524 15.699 ( 9.639 -20.132 -0.486) 22.326 ======================= Grid point 300 (111/344) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( -8.821 1.126 -2.381) 9.206 3.749 ( 0.951 5.251 0.807) 5.397 4.084 ( -21.999 5.471 -7.283) 23.810 4.833 ( -3.725 20.053 -8.977) 22.285 5.444 ( -5.237 -1.145 1.452) 5.553 5.532 ( -3.281 -2.157 -1.718) 4.286 5.895 ( -0.861 -10.347 -4.714) 11.403 6.045 ( 3.012 -9.086 10.513) 14.218 6.725 ( 5.109 -10.534 5.112) 12.775 8.750 ( -0.133 9.416 0.763) 9.448 9.007 ( 2.385 -0.452 -0.279) 2.444 9.454 ( 13.418 0.402 3.606) 13.900 10.834 ( 3.662 -8.532 1.362) 9.384 11.445 ( -0.522 20.694 3.959) 21.076 11.999 ( 2.444 -8.058 -6.139) 10.421 13.963 ( -16.386 10.442 0.102) 19.431 15.082 ( 8.208 1.622 1.212) 8.454 15.698 ( 12.275 -16.355 -1.672) 20.517 ======================= Grid point 301 (112/344) ======================= q-point: (-0.20 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -10.843 0.858 -0.395) 10.884 3.601 ( -29.150 7.121 -1.812) 30.062 3.839 ( -1.720 -2.187 -1.960) 3.403 4.863 ( -9.123 13.606 -10.362) 19.383 5.349 ( -7.739 -3.795 3.051) 9.143 5.475 ( -1.148 1.616 3.461) 3.989 5.820 ( 4.403 -3.184 -3.451) 6.437 6.067 ( 5.048 -6.713 7.970) 11.579 6.729 ( 4.423 -8.165 3.943) 10.089 8.820 ( -2.791 7.801 -0.295) 8.291 8.992 ( -0.172 -3.735 -0.878) 3.841 9.720 ( 14.905 -0.283 -0.999) 14.942 10.888 ( 9.769 -4.214 1.295) 10.718 11.627 ( -1.842 13.277 4.247) 14.061 12.006 ( 10.691 -5.462 -5.380) 13.156 13.760 ( -14.288 3.696 -0.313) 14.761 15.224 ( 3.692 1.832 2.888) 5.033 15.809 ( 15.335 -6.843 -2.376) 16.959 ======================= Grid point 302 (113/344) ======================= q-point: (-0.13 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -14.366 0.972 0.732) 14.417 3.103 ( -30.873 0.604 0.280) 30.880 3.765 ( -6.127 0.014 -1.267) 6.256 4.696 ( -18.879 6.213 -4.766) 20.438 5.138 ( -12.893 -0.881 -2.971) 13.261 5.468 ( -0.753 -4.326 8.289) 9.380 6.036 ( 16.290 7.699 1.489) 18.079 6.142 ( 7.477 -3.367 4.342) 9.279 6.745 ( 3.377 -3.945 2.275) 5.670 8.765 ( -6.503 -1.034 -2.434) 7.020 8.974 ( -0.455 1.474 0.292) 1.570 9.917 ( 12.383 -4.655 -7.614) 15.263 11.077 ( 13.191 -0.621 0.846) 13.233 11.697 ( 4.637 -1.196 2.612) 5.455 12.215 ( 14.229 3.181 -2.330) 14.766 13.565 ( -10.029 0.080 -0.484) 10.041 15.247 ( -1.464 -2.387 2.939) 4.060 16.057 ( 15.118 3.169 -0.882) 15.472 ======================= Grid point 303 (114/344) ======================= q-point: (-0.07 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -22.747 3.860 0.834) 23.087 2.591 ( -26.016 -3.063 2.725) 26.337 3.625 ( -9.921 1.511 -0.875) 10.074 4.331 ( -27.934 4.080 3.199) 28.411 4.878 ( -18.313 5.457 -5.313) 19.833 5.453 ( 1.700 -3.924 3.207) 5.346 6.254 ( 10.811 -4.750 2.012) 11.978 6.445 ( 17.512 2.712 4.837) 18.369 6.793 ( 2.660 3.748 -1.473) 4.826 8.626 ( -4.773 -1.893 -1.570) 5.370 8.973 ( -1.869 0.571 2.009) 2.803 10.012 ( 9.574 -7.130 -10.584) 15.954 11.281 ( 11.944 -3.536 -0.606) 12.471 11.851 ( 15.044 -2.881 2.109) 15.462 12.489 ( 14.373 2.768 -2.593) 14.865 13.420 ( -5.416 -2.056 -0.251) 5.799 15.162 ( -5.836 -3.504 2.760) 7.345 16.350 ( 12.209 6.925 1.025) 14.074 ======================= Grid point 309 (115/344) ======================= q-point: ( 0.33 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 0.000 14.118 8.762) 16.616 2.419 ( 0.000 12.249 5.367) 13.373 3.502 ( -0.000 9.521 -3.484) 10.138 3.692 ( -0.000 18.532 -10.025) 21.069 4.740 ( -0.000 23.723 3.889) 24.039 5.816 ( 0.000 13.295 3.594) 13.773 6.254 ( 0.000 -22.096 4.060) 22.466 6.517 ( -0.000 -2.576 -1.315) 2.892 7.469 ( 0.000 -14.938 -3.137) 15.263 8.482 ( 0.000 2.241 3.108) 3.832 8.864 ( 0.000 10.366 3.183) 10.843 10.077 ( -0.000 -1.871 -5.660) 5.962 11.298 ( 0.000 -17.052 -2.025) 17.172 12.143 ( 0.000 -13.078 4.778) 13.923 12.360 ( -0.000 -17.958 -11.182) 21.154 13.268 ( 0.000 -0.806 0.706) 1.071 15.522 ( 0.000 -1.054 13.297) 13.339 16.077 ( -0.000 3.654 -9.840) 10.497 ======================= Grid point 310 (116/344) ======================= q-point: ( 0.40 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 3.952 13.244 4.203) 14.446 2.683 ( 11.988 9.976 6.870) 17.042 3.600 ( 1.403 8.543 -4.104) 9.581 3.857 ( 8.407 8.885 -13.090) 17.916 5.023 ( 3.507 22.273 6.240) 23.395 5.903 ( -1.383 -0.601 9.646) 9.763 6.077 ( -0.903 -11.854 1.668) 12.005 6.461 ( -2.441 -1.688 0.750) 3.061 7.282 ( -5.997 -7.914 -1.040) 9.984 8.529 ( 0.624 5.488 -0.428) 5.540 8.963 ( -1.497 7.716 1.963) 8.101 9.961 ( -7.893 -4.838 -9.160) 13.024 11.178 ( 5.078 -14.049 -1.263) 14.992 11.969 ( -5.397 -15.469 7.185) 17.889 12.128 ( -3.086 -12.362 -10.865) 16.745 13.324 ( 5.993 1.104 0.254) 6.099 15.533 ( 1.106 -5.555 7.833) 9.667 16.064 ( -4.273 3.421 -3.883) 6.711 ======================= Grid point 311 (117/344) ======================= q-point: ( 0.47 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( 7.785 10.713 2.577) 13.491 3.080 ( 18.888 11.415 5.657) 22.782 3.649 ( -1.093 4.409 -7.426) 8.705 4.098 ( 15.796 5.686 -10.120) 19.603 5.316 ( 4.640 16.582 6.408) 18.373 5.834 ( 5.780 -23.825 13.029) 27.763 5.989 ( -9.758 8.538 -0.625) 12.981 6.451 ( 0.081 1.531 6.326) 6.509 7.108 ( -8.836 -2.314 2.225) 9.401 8.608 ( 2.511 5.956 -3.463) 7.333 8.970 ( -4.382 3.772 -1.167) 5.898 9.647 ( -15.292 -7.242 -13.834) 21.856 11.129 ( 0.218 -8.577 0.631) 8.603 11.810 ( 4.516 -14.441 4.112) 15.679 11.931 ( -6.045 -6.870 -4.823) 10.344 13.485 ( 8.661 5.552 -0.532) 10.301 15.501 ( 0.898 -9.092 5.013) 10.421 15.950 ( -9.846 -0.212 -1.062) 9.905 ======================= Grid point 312 (118/344) ======================= q-point: ( 0.53 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 9.597 7.376 2.070) 12.279 3.544 ( 8.829 14.443 0.950) 16.954 3.640 ( 9.173 0.865 -5.718) 10.844 4.419 ( 17.181 6.531 -7.637) 19.904 5.524 ( 3.586 5.269 5.816) 8.628 5.781 ( 8.983 -19.620 11.059) 24.248 5.882 ( -12.556 8.385 1.214) 15.147 6.512 ( 1.364 1.241 8.795) 8.986 6.932 ( -11.825 -0.380 3.868) 12.447 8.701 ( 3.412 5.195 -5.447) 8.264 8.863 ( -8.793 -0.567 -7.331) 11.463 9.296 ( -10.482 -4.674 -9.404) 14.837 11.028 ( -4.340 -3.197 3.888) 6.646 11.697 ( -4.653 -11.018 -7.848) 14.306 11.894 ( 7.295 -3.059 6.212) 10.058 13.723 ( 9.588 11.044 -0.998) 14.659 15.418 ( -0.755 -11.023 3.827) 11.693 15.723 ( -12.196 -5.764 -0.580) 13.502 ======================= Grid point 313 (119/344) ======================= q-point: ( 0.60 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 10.292 4.688 1.368) 11.392 3.518 ( -5.117 1.837 -5.735) 7.902 4.080 ( 18.412 14.347 0.081) 23.342 4.739 ( 12.794 9.550 -7.175) 17.504 5.583 ( 1.500 -4.743 5.542) 7.447 5.726 ( -11.503 2.443 3.801) 12.358 5.823 ( 7.738 -11.262 6.886) 15.301 6.539 ( -3.271 -0.669 2.754) 4.328 6.709 ( -12.835 -2.669 5.152) 14.085 8.673 ( -4.722 -1.303 -7.953) 9.340 8.795 ( 2.155 7.040 -4.376) 8.565 9.153 ( -1.023 -3.446 -3.010) 4.688 10.971 ( -3.885 1.114 7.425) 8.454 11.484 ( -5.359 -6.541 -7.523) 11.319 12.008 ( 5.078 -1.155 2.740) 5.884 14.024 ( 9.514 16.624 -1.001) 19.180 15.267 ( -9.921 -5.666 2.981) 11.808 15.455 ( -2.639 -17.639 -0.909) 17.858 ======================= Grid point 314 (120/344) ======================= q-point: ( 0.67 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( -5.785 1.230 -4.069) 7.179 3.503 ( 9.557 2.713 1.078) 9.993 4.465 ( 7.792 14.914 -2.888) 17.072 4.965 ( 1.348 15.138 -8.036) 17.192 5.511 ( -5.492 -3.679 5.470) 8.580 5.611 ( -1.356 -5.868 4.155) 7.317 5.844 ( 6.108 -12.317 2.830) 14.037 6.305 ( -18.164 -0.352 -3.110) 18.432 6.597 ( 0.457 -6.937 6.547) 9.550 8.672 ( 3.600 4.450 -1.235) 5.855 8.892 ( 2.924 4.995 -0.998) 5.873 9.130 ( 4.141 -4.118 -3.164) 6.642 10.910 ( -6.560 -2.576 6.816) 9.804 11.405 ( 2.083 3.466 -4.818) 6.290 12.038 ( -1.085 -1.099 0.054) 1.545 14.342 ( 3.368 21.348 -0.369) 21.615 14.996 ( -12.325 -4.483 0.559) 13.127 15.316 ( 8.858 -22.796 0.074) 24.457 ======================= Grid point 315 (121/344) ======================= q-point: (-0.27 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( -7.321 1.464 -0.946) 7.526 3.677 ( 8.099 1.036 -0.844) 8.209 4.512 ( -16.362 9.405 -4.924) 19.505 5.068 ( -3.322 18.211 -6.957) 19.775 5.449 ( 0.481 -7.917 6.728) 10.401 5.537 ( -1.404 -3.915 0.760) 4.228 5.802 ( 1.378 -7.494 -8.181) 11.180 6.054 ( -8.745 -1.891 10.718) 13.962 6.576 ( 3.193 -6.872 3.486) 8.341 8.809 ( 4.117 7.611 -0.667) 8.679 8.948 ( 1.921 -3.348 -0.114) 3.861 9.228 ( 11.004 -0.129 -2.046) 11.194 10.780 ( -4.136 -4.819 3.138) 7.084 11.561 ( 7.737 9.303 -0.602) 12.114 11.950 ( -6.065 -3.313 -1.203) 7.015 14.369 ( -18.890 9.082 0.027) 20.960 14.971 ( 8.657 6.218 0.325) 10.663 15.296 ( 13.472 -18.517 -0.282) 22.901 ======================= Grid point 316 (122/344) ======================= q-point: (-0.20 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -9.019 1.685 1.415) 9.283 3.782 ( 4.384 -1.547 -3.065) 5.568 4.153 ( -27.949 3.916 -1.726) 28.275 5.112 ( -8.498 11.863 -8.470) 16.873 5.373 ( -0.053 -10.222 8.354) 13.202 5.512 ( -0.892 -0.256 0.067) 0.931 5.754 ( 1.639 3.677 -7.557) 8.563 6.020 ( -0.640 -1.569 15.601) 15.693 6.601 ( 4.715 -3.332 1.159) 5.888 8.899 ( -0.977 -4.882 -1.874) 5.319 8.939 ( 2.789 4.810 -0.630) 5.595 9.431 ( 13.716 -2.604 -5.475) 14.996 10.749 ( 3.601 -0.762 2.349) 4.366 11.740 ( 3.356 -13.618 -5.094) 14.921 11.842 ( -0.231 14.685 4.740) 15.433 14.064 ( -18.732 -0.059 -0.462) 18.738 15.154 ( 6.137 -1.556 1.271) 6.457 15.480 ( 17.881 1.912 -0.210) 17.984 ======================= Grid point 317 (123/344) ======================= q-point: (-0.13 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -11.388 1.379 2.758) 11.798 3.593 ( -24.654 -5.121 -2.796) 25.335 3.854 ( -6.424 3.346 -0.312) 7.250 4.965 ( -10.481 -1.091 -3.852) 11.219 5.289 ( -5.633 -1.166 1.350) 5.908 5.479 ( -2.630 -1.844 3.275) 4.587 5.927 ( 9.444 11.712 2.276) 15.216 6.068 ( 1.378 -0.001 11.774) 11.854 6.677 ( 4.410 2.522 -0.914) 5.162 8.786 ( -2.690 -8.560 -3.696) 9.704 9.016 ( -0.205 4.954 1.529) 5.189 9.578 ( 13.589 -8.515 -13.494) 20.958 10.893 ( 9.252 3.252 1.386) 9.905 11.584 ( 1.537 -14.396 -0.184) 14.479 12.082 ( 8.256 9.866 1.908) 13.006 13.757 ( -14.221 -3.626 -0.555) 14.686 15.203 ( 3.433 -4.407 0.828) 5.647 15.851 ( 16.037 10.334 1.541) 19.141 ======================= Grid point 318 (124/344) ======================= q-point: (-0.07 0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.830 ( -14.679 -0.505 2.963) 14.983 3.088 ( -28.309 0.347 0.524) 28.316 3.762 ( -6.438 -0.081 -2.001) 6.742 4.736 ( -14.162 -0.802 0.994) 14.220 5.166 ( -10.661 5.107 -2.903) 12.172 5.423 ( -1.859 -2.880 3.306) 4.762 6.114 ( 2.216 -0.835 12.510) 12.732 6.276 ( 12.577 8.658 3.415) 15.646 6.795 ( 3.635 8.620 -2.891) 9.791 8.633 ( -2.863 -7.811 -3.264) 8.936 9.034 ( -2.638 1.760 2.909) 4.304 9.655 ( 14.014 -11.920 -17.565) 25.436 11.063 ( 8.530 -2.515 -1.333) 8.992 11.588 ( 11.602 -6.901 2.798) 13.786 12.315 ( 9.740 4.962 0.137) 10.932 13.507 ( -9.079 -5.717 -0.252) 10.732 15.195 ( -0.866 -2.395 0.847) 2.684 16.216 ( 13.348 9.631 2.913) 16.715 ======================= Grid point 325 (125/344) ======================= q-point: ( 0.40 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 0.000 7.956 3.095) 8.537 2.690 ( 0.000 9.928 6.865) 12.071 3.652 ( -0.000 7.516 -2.763) 8.008 3.806 ( -0.000 3.925 -14.133) 14.668 5.237 ( 0.000 21.264 5.912) 22.070 5.708 ( 0.000 -30.119 14.342) 33.359 6.208 ( -0.000 16.230 -0.486) 16.237 6.456 ( -0.000 -2.431 -1.116) 2.675 7.223 ( -0.000 -7.547 -4.569) 8.822 8.599 ( -0.000 7.859 -0.491) 7.875 9.087 ( 0.000 8.963 3.757) 9.718 9.967 ( -0.000 -4.386 -6.921) 8.194 10.956 ( 0.000 -15.061 -2.573) 15.279 11.869 ( 0.000 -18.457 1.006) 18.485 12.030 ( -0.000 -7.220 -4.291) 8.398 13.263 ( 0.000 -0.337 0.789) 0.858 15.474 ( 0.000 -6.587 2.022) 6.890 16.158 ( 0.000 5.267 1.533) 5.485 ======================= Grid point 326 (126/344) ======================= q-point: ( 0.47 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 5.367 9.059 1.573) 10.646 2.883 ( 12.456 5.683 6.859) 15.313 3.695 ( -1.595 4.145 -6.134) 7.573 3.876 ( 10.523 2.943 -8.486) 13.835 5.435 ( 1.769 0.485 5.986) 6.261 5.523 ( 4.006 -12.915 12.945) 18.719 6.269 ( -8.520 10.897 -0.949) 13.865 6.469 ( 2.050 2.496 1.980) 3.788 7.143 ( -0.953 -4.463 -3.255) 5.605 8.668 ( -0.961 8.326 -1.286) 8.480 9.123 ( -5.894 6.372 1.930) 8.893 9.778 ( -12.213 -6.204 -10.058) 16.995 10.924 ( 10.623 -10.113 -1.439) 14.737 11.651 ( -3.021 -15.996 -1.230) 16.325 11.941 ( -2.625 -5.078 0.638) 5.752 13.353 ( 9.442 1.515 0.312) 9.567 15.407 ( -0.462 -7.624 0.211) 7.641 16.146 ( -7.618 3.327 2.986) 8.833 ======================= Grid point 327 (127/344) ======================= q-point: ( 0.53 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 6.504 6.343 2.248) 9.359 3.281 ( 23.375 5.532 3.693) 24.303 3.659 ( -2.865 2.305 -5.839) 6.901 4.138 ( 17.549 3.607 -4.426) 18.455 5.368 ( 8.105 -22.718 11.085) 26.546 5.654 ( 1.493 8.917 4.737) 10.207 6.186 ( -11.010 7.825 -0.274) 13.510 6.538 ( 0.737 2.795 4.262) 5.150 7.065 ( -4.036 -1.961 -0.980) 4.593 8.720 ( -1.269 6.368 -1.505) 6.665 9.034 ( -9.807 3.695 -3.202) 10.958 9.426 ( -14.672 -5.778 -9.762) 18.546 11.014 ( 5.508 -3.007 0.241) 6.280 11.502 ( 3.643 -13.879 -3.215) 14.705 11.863 ( -1.508 -2.566 3.931) 4.930 13.599 ( 14.316 5.767 -0.249) 15.436 15.298 ( -1.818 -10.437 -0.072) 10.595 15.983 ( -14.776 1.130 2.637) 15.052 ======================= Grid point 328 (128/344) ======================= q-point: ( 0.60 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 8.415 3.532 1.517) 9.252 3.575 ( -1.195 0.339 -4.899) 5.054 3.816 ( 23.392 7.768 3.918) 24.957 4.492 ( 19.710 4.155 -2.730) 20.327 5.375 ( 10.881 -15.835 8.823) 21.142 5.735 ( -0.476 2.649 2.428) 3.625 6.034 ( -14.595 5.194 -0.068) 15.492 6.564 ( -0.791 -0.398 2.637) 2.781 6.935 ( -10.344 -0.710 0.596) 10.386 8.690 ( -5.203 -0.768 -4.631) 7.007 8.912 ( -5.471 8.295 -4.741) 11.010 9.171 ( -7.053 -3.937 -2.852) 8.566 11.065 ( -0.095 3.605 5.188) 6.318 11.396 ( 0.182 -12.062 -8.064) 14.510 11.908 ( 6.176 -0.890 4.444) 7.660 13.943 ( 15.993 10.678 -0.560) 19.238 15.146 ( -1.443 -13.588 0.129) 13.665 15.689 ( -20.107 -0.793 1.595) 20.186 ======================= Grid point 329 (129/344) ======================= q-point: ( 0.67 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 9.381 1.300 -0.074) 9.471 3.518 ( -4.363 1.528 -1.118) 4.756 4.303 ( 21.895 5.980 2.554) 22.840 4.856 ( 17.539 5.179 -1.932) 18.389 5.477 ( 10.619 -6.630 5.008) 13.483 5.698 ( -4.570 -3.033 -0.593) 5.517 5.787 ( -16.003 -0.519 1.385) 16.071 6.513 ( -4.564 -1.213 -3.922) 6.139 6.690 ( -15.423 -2.054 2.451) 15.751 8.628 ( 1.601 1.495 -2.114) 3.044 8.945 ( -2.083 6.788 1.831) 7.333 9.054 ( -0.438 -3.115 -3.649) 4.818 11.056 ( -8.280 -1.248 5.240) 9.878 11.313 ( 5.298 -0.941 -5.751) 7.876 12.015 ( 4.348 -0.782 1.436) 4.646 14.347 ( 16.386 14.240 -0.563) 21.716 15.001 ( 1.642 -15.071 0.365) 15.165 15.304 ( -22.675 -1.984 0.511) 22.767 ======================= Grid point 330 (130/344) ======================= q-point: (-0.27 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( -5.258 2.154 0.690) 5.724 3.523 ( 8.642 -0.529 -0.835) 8.698 4.642 ( 9.280 1.929 1.705) 9.631 5.159 ( 10.526 7.002 -2.244) 12.840 5.461 ( -13.694 -5.199 2.762) 14.906 5.568 ( -5.577 -0.595 -2.474) 6.130 5.637 ( 7.895 -4.814 -0.214) 9.250 6.312 ( -15.214 2.836 -1.427) 15.542 6.517 ( -1.983 -4.240 2.236) 5.187 8.734 ( 6.711 1.540 -0.303) 6.892 8.919 ( -1.237 -1.954 0.115) 2.316 9.111 ( 4.713 3.973 0.007) 6.164 10.864 ( -8.522 -4.237 0.021) 9.517 11.457 ( 7.612 3.383 -0.040) 8.330 12.026 ( -2.189 -0.663 0.030) 2.288 14.692 ( 0.831 0.488 -0.002) 0.964 14.934 ( 3.854 1.788 0.079) 4.249 14.965 ( -5.059 -2.427 -0.077) 5.612 ======================= Grid point 331 (131/344) ======================= q-point: (-0.20 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( -7.523 1.893 3.333) 8.443 3.647 ( 7.385 -2.021 -3.572) 8.449 4.571 ( -16.520 -2.608 0.463) 16.731 5.222 ( -3.914 -18.446 5.731) 19.708 5.330 ( 0.384 10.941 -3.636) 11.536 5.498 ( 1.234 0.690 -1.486) 2.051 5.738 ( 3.413 6.330 -6.915) 9.977 6.171 ( -7.679 4.573 13.955) 16.572 6.510 ( 3.819 0.185 -3.014) 4.868 8.768 ( 2.716 -8.961 -3.849) 10.123 8.967 ( 3.043 5.904 1.085) 6.730 9.226 ( 5.922 -0.941 -2.038) 6.333 10.750 ( -1.769 1.192 0.377) 2.166 11.539 ( 2.952 -9.191 -2.100) 9.879 11.993 ( -2.109 5.810 2.339) 6.609 14.364 ( -18.934 -9.228 -0.430) 21.068 14.971 ( 7.887 -6.311 0.328) 10.106 15.303 ( 14.661 18.821 0.404) 23.861 ======================= Grid point 332 (132/344) ======================= q-point: (-0.13 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( -9.422 0.165 4.241) 10.334 3.685 ( 0.586 -3.588 -5.322) 6.445 4.179 ( -22.882 -1.589 1.809) 23.008 4.973 ( -3.302 -19.135 1.823) 19.503 5.385 ( -3.857 7.085 -2.081) 8.330 5.531 ( -0.489 1.981 1.579) 2.580 5.898 ( 7.543 11.521 -1.620) 13.865 6.180 ( -4.111 4.490 16.964) 18.024 6.627 ( 6.262 7.175 -4.303) 10.450 8.686 ( 0.872 -10.053 -4.906) 11.220 9.061 ( 1.219 2.343 4.338) 5.079 9.263 ( 6.476 -6.842 -13.117) 16.150 10.835 ( 4.769 7.542 1.044) 8.984 11.388 ( 0.029 -18.325 -1.443) 18.381 12.096 ( 3.078 8.198 2.841) 9.206 13.957 ( -16.292 -10.403 -0.456) 19.335 15.069 ( 7.296 -1.740 0.055) 7.501 15.734 ( 13.944 16.707 1.584) 21.819 ======================= Grid point 333 (133/344) ======================= q-point: (-0.07 0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -11.944 -3.279 3.721) 12.933 3.505 ( -17.294 0.671 -2.074) 17.431 3.876 ( -10.612 -1.227 -0.295) 10.687 4.777 ( -0.395 -13.402 -1.380) 13.479 5.345 ( -6.495 4.458 0.764) 7.915 5.514 ( -5.328 2.850 4.199) 7.358 6.180 ( 8.789 9.298 2.265) 12.994 6.218 ( -1.767 6.017 14.425) 15.730 6.810 ( 5.164 11.431 -3.461) 13.012 8.567 ( -1.345 -9.354 -3.527) 10.087 9.088 ( 0.594 -2.203 4.593) 5.129 9.247 ( 8.484 -10.085 -19.891) 23.861 10.946 ( 1.715 -1.721 -2.185) 3.268 11.331 ( 11.039 -6.808 2.963) 13.304 12.242 ( 5.180 4.789 1.350) 7.183 13.606 ( -11.723 -10.816 -0.188) 15.951 15.163 ( 3.404 1.089 -0.078) 3.575 16.112 ( 12.201 12.096 2.719) 17.395 ======================= Grid point 341 (134/344) ======================= q-point: ( 0.47 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 0.000 4.333 1.918) 4.739 2.895 ( 0.000 5.937 6.849) 9.064 3.743 ( -0.000 -0.455 -9.301) 9.312 3.759 ( -0.000 4.880 -2.039) 5.288 5.209 ( 0.000 -26.391 13.018) 29.427 5.632 ( 0.000 13.151 4.011) 13.749 6.412 ( 0.000 -1.503 -0.313) 1.535 6.500 ( -0.000 12.226 -0.984) 12.266 7.094 ( -0.000 -2.866 -3.368) 4.423 8.755 ( -0.000 8.032 -2.302) 8.355 9.251 ( 0.000 5.161 2.110) 5.576 9.827 ( -0.000 -3.972 -7.455) 8.447 10.689 ( 0.000 -9.807 -1.542) 9.928 11.534 ( -0.000 -12.576 -3.759) 13.125 11.926 ( 0.000 -4.238 3.519) 5.508 13.263 ( 0.000 -0.073 0.484) 0.489 15.357 ( 0.000 -4.690 -0.883) 4.772 16.254 ( 0.000 2.180 3.440) 4.073 ======================= Grid point 342 (135/344) ======================= q-point: ( 0.53 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 9.218 4.164 -0.808) 10.147 3.016 ( 9.027 2.299 8.654) 12.714 3.696 ( -1.507 1.039 -4.184) 4.567 3.899 ( 11.340 2.691 -2.405) 11.901 5.063 ( 5.440 -20.640 11.715) 24.348 5.750 ( -0.167 8.172 1.932) 8.399 6.367 ( -4.059 1.293 -0.052) 4.260 6.587 ( -1.015 6.217 -0.955) 6.371 7.066 ( -0.098 -1.267 -2.022) 2.389 8.809 ( -1.159 6.311 -2.797) 7.000 9.225 ( -7.909 2.950 -0.199) 8.443 9.614 ( -14.814 -3.163 -6.843) 16.622 10.768 ( 15.180 -4.601 -1.076) 15.898 11.383 ( -2.968 -8.827 -2.977) 9.777 11.883 ( -2.025 -2.993 4.505) 5.775 13.382 ( 12.658 1.092 0.158) 12.706 15.282 ( -3.646 -4.216 -0.744) 5.623 16.207 ( -8.351 0.696 2.607) 8.776 ======================= Grid point 343 (136/344) ======================= q-point: ( 0.60 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 5.940 1.538 1.339) 6.280 3.365 ( 22.516 1.151 3.437) 22.806 3.685 ( 0.080 1.939 0.798) 2.098 4.179 ( 18.380 2.191 -0.768) 18.526 5.070 ( 10.295 -12.596 9.204) 18.691 5.794 ( -1.520 2.731 -0.140) 3.129 6.279 ( -8.870 2.038 -1.089) 9.166 6.587 ( -1.995 0.575 -1.605) 2.624 7.035 ( -2.919 -0.182 -0.764) 3.022 8.796 ( -5.361 1.958 -3.759) 6.835 9.075 ( -8.755 3.680 -4.607) 10.555 9.325 ( -13.887 -0.470 0.762) 13.916 11.009 ( 12.849 1.501 0.283) 12.939 11.259 ( -1.094 -6.765 -4.416) 8.152 11.851 ( 0.160 -1.840 4.738) 5.085 13.688 ( 19.594 2.694 -0.117) 19.779 15.144 ( -6.990 -4.123 -0.285) 8.120 16.005 ( -15.762 -0.451 1.354) 15.826 ======================= Grid point 344 (137/344) ======================= q-point: (-0.33 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 7.938 -0.834 0.327) 7.988 3.592 ( -0.520 2.856 0.911) 3.042 3.914 ( 24.649 -1.354 5.489) 25.289 4.545 ( 20.983 1.775 1.133) 21.089 5.218 ( 13.048 -4.217 5.979) 14.959 5.750 ( -3.669 -1.397 -2.506) 4.658 6.074 ( -15.226 -0.451 -2.292) 15.404 6.529 ( -2.240 -2.173 -5.026) 5.916 6.917 ( -10.771 -0.614 -1.982) 10.969 8.679 ( -5.027 2.096 -1.582) 5.671 9.036 ( -0.947 2.347 -2.332) 3.442 9.125 ( -10.927 2.474 5.057) 12.292 11.106 ( -2.101 -8.245 -4.071) 9.432 11.262 ( 5.024 9.366 1.681) 10.761 11.899 ( 5.843 -2.234 1.779) 6.504 14.070 ( 21.635 0.343 -0.131) 21.638 14.990 ( -6.812 -0.124 -0.025) 6.813 15.679 ( -21.069 -0.835 0.231) 21.087 ======================= Grid point 345 (138/344) ======================= q-point: (-0.27 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.334 ( 9.042 -2.435 -1.654) 9.509 3.577 ( -4.569 3.066 4.179) 6.910 4.324 ( 22.961 -6.760 4.541) 24.362 4.915 ( 19.035 0.134 3.518) 19.358 5.443 ( 11.224 1.255 1.900) 11.452 5.647 ( -4.157 -0.331 -4.969) 6.487 5.745 ( -18.893 -3.077 -2.503) 19.305 6.446 ( -2.098 -0.754 -9.608) 9.864 6.660 ( -15.206 -1.287 -0.963) 15.291 8.707 ( 1.320 5.208 4.726) 7.155 8.931 ( -4.427 -4.880 0.622) 6.618 9.129 ( -0.351 6.393 3.330) 7.217 10.930 ( -5.962 -6.101 -6.056) 10.462 11.445 ( 2.024 9.134 6.065) 11.150 11.977 ( 5.195 -2.667 -2.080) 6.199 14.360 ( 16.654 -13.325 0.558) 21.336 14.990 ( 1.242 13.897 -0.676) 13.968 15.295 ( -22.295 1.461 -0.294) 22.345 ======================= Grid point 346 (139/344) ======================= q-point: (-0.20 -0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 4.933 -3.917 -3.240) 7.084 3.547 ( -2.418 2.501 5.395) 6.419 4.532 ( 10.318 -14.329 3.426) 17.987 5.149 ( 3.613 -10.964 8.627) 14.412 5.396 ( -8.892 1.272 -5.878) 10.735 5.521 ( -0.756 3.057 -3.322) 4.577 5.722 ( 5.043 9.131 -5.221) 11.665 6.406 ( -5.130 7.652 -2.110) 9.451 6.447 ( -2.607 -3.015 -2.381) 4.643 8.697 ( -4.348 -4.486 2.211) 6.627 8.951 ( 5.199 4.092 2.898) 7.223 9.178 ( -0.117 0.465 1.966) 2.023 10.795 ( -2.698 0.283 -3.979) 4.816 11.486 ( -4.263 -3.112 3.078) 6.110 12.029 ( 3.002 2.325 -1.004) 3.928 14.353 ( 2.254 -21.195 0.601) 21.323 14.983 ( -10.648 3.720 -0.702) 11.301 15.311 ( 8.863 22.915 -0.339) 24.572 ======================= Grid point 347 (140/344) ======================= q-point: (-0.13 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -5.285 -4.980 1.427) 7.401 3.602 ( 3.663 0.887 -0.641) 3.823 4.427 ( -6.672 -11.954 1.884) 13.819 4.849 ( -10.338 -19.656 2.907) 22.398 5.469 ( 3.796 3.794 0.069) 5.367 5.549 ( -0.178 5.289 -3.493) 6.341 5.891 ( 5.741 11.789 -3.196) 13.497 6.347 ( -4.392 1.670 9.138) 10.275 6.570 ( 8.009 10.829 -6.027) 14.756 8.581 ( -1.915 -6.699 -1.591) 7.147 9.051 ( -0.621 -4.727 8.909) 10.104 9.149 ( 1.120 0.827 -8.759) 8.869 10.849 ( 4.370 8.635 -0.428) 9.687 11.275 ( -8.098 -14.705 -0.323) 16.791 12.125 ( 2.773 5.557 1.065) 6.301 14.056 ( -10.822 -19.030 -0.059) 21.891 14.984 ( 3.157 5.625 -0.037) 6.451 15.706 ( 10.971 19.818 0.116) 22.652 ======================= Grid point 348 (141/344) ======================= q-point: (-0.07 0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( -8.349 -7.562 1.972) 11.435 3.643 ( -0.760 2.530 -2.145) 3.403 4.137 ( -17.707 -2.778 1.551) 17.991 4.566 ( 1.555 -20.655 -1.534) 20.770 5.491 ( -4.160 3.716 -0.171) 5.581 5.605 ( 0.598 3.344 3.274) 4.718 6.138 ( 8.383 12.164 0.514) 14.781 6.350 ( -1.747 2.858 7.348) 8.075 6.817 ( 7.106 13.141 -2.142) 15.091 8.491 ( -0.749 -5.954 -2.251) 6.410 8.913 ( -0.515 -14.054 -4.376) 14.728 9.178 ( -0.292 1.663 -1.993) 2.612 10.951 ( -7.109 -6.105 -2.422) 9.678 11.117 ( 10.890 1.615 2.643) 11.322 12.224 ( 2.767 3.913 0.675) 4.839 13.677 ( -11.594 -16.018 -0.068) 19.774 15.120 ( 4.728 5.481 -0.126) 7.240 16.058 ( 9.856 13.983 1.066) 17.141 ======================= Grid point 357 (142/344) ======================= q-point: ( 0.53 0.53 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( 0.000 0.957 1.113) 1.468 3.013 ( 0.000 0.579 7.624) 7.646 3.709 ( -0.000 1.543 -1.043) 1.862 3.817 ( -0.000 2.137 -1.199) 2.451 4.878 ( 0.000 -13.901 10.235) 17.262 5.816 ( -0.000 3.750 0.018) 3.750 6.393 ( 0.000 -0.462 0.445) 0.641 6.654 ( -0.000 4.461 -3.348) 5.578 7.055 ( -0.000 0.113 -0.658) 0.668 8.854 ( -0.000 3.675 -4.639) 5.919 9.318 ( -0.000 1.132 -0.487) 1.232 9.738 ( -0.000 0.352 -5.992) 6.002 10.556 ( 0.000 -3.015 0.268) 3.027 11.346 ( -0.000 -3.679 -3.192) 4.871 11.893 ( 0.000 -2.298 5.560) 6.016 13.265 ( 0.000 -0.074 0.107) 0.130 15.291 ( -0.000 -1.314 -0.500) 1.406 16.289 ( 0.000 -0.364 1.704) 1.742 ======================= Grid point 358 (143/344) ======================= q-point: (-0.40 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 10.025 -0.250 -1.846) 10.196 3.079 ( 8.270 -2.744 9.410) 12.824 3.726 ( -1.129 2.763 2.860) 4.134 3.933 ( 11.441 1.412 0.331) 11.533 4.865 ( 5.984 -5.352 7.701) 11.124 5.820 ( -0.753 -1.218 -1.819) 2.315 6.373 ( -2.622 -0.202 -0.183) 2.636 6.633 ( -3.221 -0.103 -4.470) 5.511 7.062 ( -0.264 1.052 0.569) 1.225 8.846 ( -1.595 0.241 -6.104) 6.314 9.238 ( -8.196 -0.020 -3.143) 8.778 9.597 ( -13.320 3.721 0.220) 13.831 10.726 ( 17.122 0.627 -0.179) 17.134 11.276 ( -4.428 0.559 -3.518) 5.683 11.878 ( -1.880 -1.182 5.982) 6.381 13.393 ( 14.083 -0.085 -0.059) 14.083 15.240 ( -5.097 0.326 -0.115) 5.108 16.211 ( -8.459 -1.215 0.612) 8.568 ======================= Grid point 359 (144/344) ======================= q-point: (-0.33 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 6.140 -3.093 -0.045) 6.875 3.380 ( 23.444 -3.368 5.197) 24.249 3.740 ( -1.138 1.378 5.338) 5.629 4.218 ( 18.547 1.174 3.222) 18.862 5.022 ( 10.623 3.062 4.668) 12.000 5.755 ( -1.745 -5.274 -3.763) 6.710 6.260 ( -9.309 -2.364 -2.739) 9.988 6.532 ( -3.637 -3.051 -6.463) 8.019 7.041 ( -4.652 0.835 -0.531) 4.756 8.757 ( -3.982 -1.300 -5.922) 7.254 9.101 ( -5.598 0.370 -1.689) 5.859 9.422 ( -14.240 6.619 7.596) 17.444 11.003 ( 8.665 -2.107 0.063) 8.918 11.249 ( 3.489 8.998 -5.534) 11.125 11.857 ( -1.448 -0.776 5.342) 5.589 13.689 ( 19.814 -2.495 -0.029) 19.971 15.145 ( -7.237 4.187 -0.156) 8.362 15.988 ( -15.614 -1.437 -0.170) 15.681 ======================= Grid point 360 (145/344) ======================= q-point: (-0.27 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 8.000 -4.578 -0.817) 9.254 3.683 ( 0.977 3.505 4.669) 5.920 3.830 ( 21.850 -10.986 5.529) 25.073 4.583 ( 20.417 -0.246 6.057) 21.298 5.297 ( 11.905 9.099 1.563) 15.065 5.648 ( -1.377 -5.859 -5.604) 8.223 5.989 ( -15.445 -5.555 -4.172) 16.936 6.421 ( -2.153 -2.937 -10.509) 11.122 6.882 ( -12.401 -0.794 -4.184) 13.112 8.738 ( 2.827 3.485 0.638) 4.532 8.997 ( -6.493 -3.568 2.584) 7.846 9.310 ( -10.327 8.295 9.188) 16.121 10.950 ( -4.993 -2.629 -5.356) 7.780 11.525 ( 8.280 14.043 2.518) 16.496 11.847 ( 1.736 -3.394 0.212) 3.818 13.955 ( 16.564 -10.035 0.558) 19.374 15.130 ( -2.262 12.012 -1.379) 12.301 15.669 ( -19.522 0.503 -0.143) 19.529 ======================= Grid point 361 (146/344) ======================= q-point: (-0.20 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 8.657 -5.668 -2.964) 10.763 3.666 ( -4.685 0.469 7.441) 8.806 4.104 ( 20.189 -16.568 2.271) 26.216 4.916 ( 15.940 -4.310 9.490) 19.045 5.500 ( 0.459 -0.952 -2.547) 2.757 5.593 ( -7.936 -0.014 -8.483) 11.617 5.708 ( 1.372 5.809 -2.495) 6.470 6.346 ( 1.563 -1.124 -14.207) 14.337 6.640 ( -11.606 0.894 -2.340) 11.873 8.823 ( -9.940 -4.047 5.500) 12.060 8.896 ( 7.300 5.622 4.041) 10.061 9.265 ( -6.955 3.620 8.161) 11.317 10.835 ( -3.881 1.405 -5.541) 6.909 11.626 ( -9.644 1.615 6.099) 11.525 11.935 ( 9.862 3.684 -4.134) 11.310 14.047 ( 9.362 -16.443 1.089) 18.953 15.201 ( -7.597 4.376 -3.006) 9.268 15.472 ( -4.231 17.791 0.617) 18.298 ======================= Grid point 362 (147/344) ======================= q-point: (-0.13 -0.47 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 4.764 -8.072 -4.501) 10.397 3.620 ( -1.999 -1.283 7.121) 7.507 4.186 ( 10.588 -19.525 0.376) 22.215 4.944 ( -10.161 -12.835 7.164) 17.869 5.392 ( 3.616 0.329 -3.566) 5.089 5.565 ( 2.059 1.926 -4.903) 5.656 5.910 ( 5.342 13.497 -3.779) 15.000 6.342 ( 3.327 -1.688 -12.914) 13.443 6.589 ( 1.441 9.706 2.420) 10.106 8.635 ( -8.532 -4.235 4.649) 10.599 9.077 ( 4.256 4.245 7.171) 9.357 9.152 ( -8.628 -3.301 2.203) 9.497 10.849 ( 2.730 6.476 -1.664) 7.222 11.378 ( -14.846 -7.142 0.607) 16.486 12.115 ( 5.035 6.316 -0.823) 8.119 13.952 ( -0.570 -19.204 0.531) 19.220 15.073 ( -5.723 5.308 -0.657) 7.833 15.748 ( 7.384 21.014 -1.175) 22.305 ======================= Grid point 373 (148/344) ======================= q-point: (-0.40 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 0.000 -2.373 0.276) 2.389 3.013 ( 0.000 -5.802 7.410) 9.411 3.805 ( 0.000 5.358 8.031) 9.654 3.827 ( -0.000 -0.650 -0.305) 0.718 4.824 ( 0.000 3.249 5.181) 6.116 5.781 ( -0.000 -6.166 -3.257) 6.973 6.399 ( 0.000 0.625 1.054) 1.226 6.628 ( -0.000 -3.828 -5.579) 6.766 7.081 ( 0.000 1.968 1.581) 2.525 8.829 ( -0.000 -1.947 -6.863) 7.134 9.293 ( -0.000 -2.488 -2.747) 3.706 9.770 ( -0.000 5.782 -3.406) 6.710 10.574 ( 0.000 3.993 1.814) 4.385 11.346 ( -0.000 5.503 -2.777) 6.165 11.913 ( 0.000 0.129 7.072) 7.074 13.261 ( -0.000 -0.232 -0.206) 0.311 15.297 ( -0.000 1.863 0.004) 1.863 16.269 ( 0.000 -1.948 -0.052) 1.949 ======================= Grid point 374 (149/344) ======================= q-point: (-0.33 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 8.676 -3.921 -2.244) 9.781 3.029 ( 9.846 -8.492 8.424) 15.493 3.803 ( -1.251 0.352 4.001) 4.207 3.991 ( 10.762 2.961 7.910) 13.680 4.962 ( 5.773 11.231 2.241) 12.825 5.679 ( -0.372 -10.596 -4.637) 11.572 6.360 ( -5.882 -1.169 -0.705) 6.038 6.527 ( -2.582 -6.025 -6.217) 9.034 7.106 ( -1.173 2.527 1.412) 3.123 8.757 ( -1.949 -3.759 -6.955) 8.143 9.189 ( -5.758 -2.953 -2.990) 7.128 9.733 ( -9.590 8.059 2.668) 12.808 10.788 ( 14.604 5.419 0.771) 15.596 11.352 ( -5.235 9.496 -4.709) 11.822 11.928 ( -2.398 1.833 7.775) 8.340 13.379 ( 12.974 -1.210 -0.172) 13.032 15.285 ( -3.925 3.923 -0.508) 5.573 16.176 ( -8.199 -2.156 -0.155) 8.479 ======================= Grid point 375 (150/344) ======================= q-point: (-0.27 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 6.407 -6.882 -0.270) 9.407 3.275 ( 23.616 -10.563 3.718) 26.137 3.791 ( -1.977 -0.957 5.419) 5.848 4.284 ( 16.723 0.985 9.784) 19.400 5.241 ( 9.354 16.665 -0.701) 19.124 5.542 ( 0.614 -12.455 -5.693) 13.708 6.147 ( -12.266 -7.006 -3.939) 14.665 6.405 ( -3.421 -3.520 -7.921) 9.318 7.047 ( -8.490 0.552 -2.757) 8.944 8.697 ( 2.129 -1.452 -2.576) 3.644 9.065 ( -4.538 -3.243 0.143) 5.580 9.650 ( -12.443 9.513 8.989) 18.059 11.000 ( 0.661 2.834 -0.723) 2.998 11.446 ( 8.937 13.648 -7.206) 17.835 11.916 ( -5.233 2.974 7.672) 9.751 13.606 ( 15.020 -5.425 0.310) 15.973 15.272 ( -2.852 7.992 -2.436) 8.828 15.962 ( -14.177 -0.525 0.757) 14.207 ======================= Grid point 376 (151/344) ======================= q-point: (-0.20 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 8.297 -8.012 -1.300) 11.607 3.550 ( 20.541 -19.165 2.062) 28.169 3.766 ( -0.520 0.058 5.121) 5.148 4.623 ( 17.927 -2.042 11.549) 21.423 5.415 ( 2.573 -9.593 -4.183) 10.777 5.588 ( 8.226 14.224 -7.280) 17.972 5.832 ( -12.038 -4.527 -2.845) 13.172 6.288 ( -2.533 -1.981 -11.940) 12.365 6.830 ( -12.291 -0.959 -5.410) 13.464 8.787 ( 6.547 -0.939 2.780) 7.175 8.960 ( -4.243 -1.308 2.576) 5.133 9.556 ( -13.518 8.444 12.892) 20.500 10.945 ( -6.979 5.261 -3.780) 9.522 11.749 ( 8.669 1.997 -6.879) 11.246 11.867 ( -4.929 10.905 7.648) 14.202 13.745 ( 10.060 -10.784 1.018) 14.783 15.314 ( -2.000 5.885 -5.315) 8.178 15.758 ( -11.031 9.413 2.377) 14.695 ======================= Grid point 377 (152/344) ======================= q-point: (-0.13 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 8.037 -8.967 -3.510) 12.542 3.553 ( 5.820 -20.289 4.794) 21.645 3.847 ( 8.169 -5.866 0.928) 10.100 4.879 ( 9.054 -7.046 11.560) 16.287 5.338 ( 0.357 -8.059 -7.307) 10.884 5.521 ( -2.844 -3.246 -4.594) 6.303 5.956 ( 5.524 17.806 -3.982) 19.064 6.216 ( 1.686 -1.081 -15.509) 15.638 6.676 ( -3.123 3.940 -0.693) 5.075 8.739 ( -6.290 -6.798 5.091) 10.568 9.027 ( 5.766 3.627 -0.015) 6.812 9.422 ( -15.740 4.717 15.624) 22.674 10.910 ( -2.810 7.915 -1.880) 8.607 11.587 ( -13.932 -3.646 -0.642) 14.416 12.093 ( 6.065 11.151 -0.415) 12.700 13.749 ( 4.165 -13.985 0.858) 14.617 15.220 ( -7.249 0.503 -2.400) 7.653 15.864 ( 2.410 19.862 -0.829) 20.025 ======================= Grid point 389 (153/344) ======================= q-point: (-0.33 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 0.000 -5.922 -0.816) 5.977 2.893 ( 0.000 -10.895 6.343) 12.607 3.786 ( 0.000 -3.512 0.515) 3.550 3.995 ( 0.000 4.624 14.284) 15.014 5.064 ( -0.000 18.386 -0.610) 18.396 5.533 ( -0.000 -15.442 -5.114) 16.267 6.432 ( 0.000 1.764 1.582) 2.370 6.435 ( -0.000 -10.777 -6.777) 12.731 7.155 ( 0.000 4.161 2.177) 4.696 8.706 ( -0.000 -5.093 -6.687) 8.406 9.184 ( -0.000 -6.061 -3.952) 7.236 9.894 ( -0.000 7.992 -1.935) 8.222 10.734 ( 0.000 10.404 2.507) 10.702 11.507 ( -0.000 12.403 -4.018) 13.038 12.012 ( 0.000 4.548 9.500) 10.532 13.254 ( -0.000 -0.209 -0.379) 0.433 15.349 ( -0.000 3.267 -1.668) 3.668 16.224 ( 0.000 -2.349 0.787) 2.477 ======================= Grid point 390 (154/344) ======================= q-point: (-0.27 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 7.417 -7.823 -2.338) 11.031 2.857 ( 10.399 -13.676 5.599) 18.070 3.772 ( 2.054 -4.641 1.679) 5.346 4.132 ( 6.978 0.856 14.678) 16.274 5.307 ( 4.974 21.789 -4.367) 22.772 5.354 ( 0.893 -17.084 -4.083) 17.588 6.227 ( -7.561 -10.927 -5.355) 14.327 6.425 ( -3.492 0.364 -1.510) 3.822 7.173 ( -4.680 3.609 -0.480) 5.929 8.630 ( 0.683 -4.485 -4.200) 6.183 9.078 ( -2.404 -6.157 -2.331) 7.009 9.922 ( -5.568 8.560 2.328) 10.473 10.951 ( 8.789 10.215 1.003) 13.513 11.562 ( -5.486 14.611 -5.929) 16.695 12.076 ( -3.470 7.293 9.929) 12.799 13.349 ( 10.168 -1.518 -0.082) 10.281 15.356 ( -1.335 3.703 -4.292) 5.824 16.146 ( -7.224 -0.925 2.905) 7.841 ======================= Grid point 391 (155/344) ======================= q-point: (-0.20 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 7.002 -11.490 0.274) 13.458 3.012 ( 19.781 -16.864 -0.404) 25.997 3.756 ( 1.028 -5.482 3.035) 6.350 4.354 ( 14.702 -4.048 13.198) 20.167 5.205 ( 3.888 -16.942 -3.124) 17.661 5.603 ( 5.246 17.201 -9.118) 20.163 5.968 ( -8.867 -3.133 -2.171) 9.652 6.326 ( -6.387 0.511 -5.156) 8.224 7.018 ( -12.952 -0.458 -5.901) 14.240 8.663 ( 6.750 -2.046 1.693) 7.254 8.987 ( -1.527 -4.212 0.491) 4.507 9.894 ( -9.751 8.539 8.153) 15.312 11.110 ( -2.802 8.569 -1.041) 9.075 11.657 ( 3.639 12.569 -7.257) 14.963 12.107 ( -6.389 10.375 8.915) 15.098 13.498 ( 9.522 -5.318 0.636) 10.925 15.356 ( -0.576 2.368 -7.578) 7.960 16.023 ( -9.181 5.534 5.011) 11.833 ======================= Grid point 392 (156/344) ======================= q-point: (-0.13 -0.33 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 9.318 -11.927 -1.241) 15.186 3.110 ( 15.034 -24.717 -1.198) 28.955 3.745 ( 3.019 -4.840 2.636) 6.284 4.617 ( 16.666 -8.630 10.407) 21.460 5.131 ( 6.571 -14.222 -2.248) 15.827 5.557 ( -6.431 -5.210 -8.114) 11.590 6.063 ( 2.650 21.878 -3.740) 22.353 6.207 ( -5.303 1.663 -8.013) 9.752 6.779 ( -8.332 -0.300 -4.231) 9.349 8.729 ( 1.565 -6.513 4.378) 8.002 8.977 ( 2.704 1.169 -0.124) 2.948 9.807 ( -13.948 7.272 13.240) 20.561 11.089 ( -7.455 10.105 -1.398) 12.635 11.733 ( -4.878 2.885 -4.190) 7.049 12.181 ( -1.224 14.673 4.124) 15.290 13.558 ( 5.139 -8.550 0.862) 10.012 15.291 ( -3.778 -2.861 -5.426) 7.204 16.043 ( -1.989 15.681 1.802) 15.909 ======================= Grid point 405 (157/344) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -0.000 -10.129 -2.406) 10.411 2.666 ( 0.000 -15.724 3.917) 16.204 3.695 ( 0.000 -6.262 1.190) 6.374 4.108 ( 0.000 -5.966 13.995) 15.213 5.134 ( 0.000 -19.733 -2.820) 19.934 5.490 ( -0.000 23.682 -6.450) 24.544 6.151 ( -0.000 -10.718 -5.397) 12.000 6.488 ( 0.000 2.438 1.717) 2.982 7.273 ( -0.000 6.768 -0.066) 6.768 8.557 ( -0.000 -5.401 -4.186) 6.833 9.008 ( -0.000 -8.559 -3.410) 9.213 10.039 ( -0.000 7.053 -0.899) 7.110 11.005 ( -0.000 14.729 1.938) 14.856 11.756 ( -0.000 15.468 -5.013) 16.260 12.238 ( 0.000 11.065 10.821) 15.477 13.251 ( -0.000 0.238 -0.266) 0.357 15.365 ( -0.000 0.341 -7.189) 7.197 16.216 ( 0.000 -0.099 6.188) 6.189 ======================= Grid point 406 (158/344) ======================= q-point: (-0.20 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 4.557 -17.966 2.110) 18.655 2.571 ( 11.672 -13.627 -3.789) 18.338 3.657 ( 2.465 -8.050 1.519) 8.555 4.109 ( 8.463 -14.893 9.956) 19.813 4.962 ( 2.604 -18.611 1.546) 18.855 5.656 ( 0.311 8.213 -11.907) 14.468 6.070 ( -2.046 7.985 -0.432) 8.254 6.458 ( -6.344 2.566 0.327) 6.851 7.233 ( -11.776 4.414 -5.430) 13.698 8.538 ( 4.661 -3.293 0.263) 5.713 8.930 ( 1.628 -6.852 -1.162) 7.138 10.086 ( -2.291 6.058 1.863) 6.740 11.195 ( 2.924 13.516 0.260) 13.831 11.833 ( -6.164 16.436 -4.870) 18.217 12.353 ( -4.778 13.217 9.588) 17.013 13.324 ( 6.910 -0.905 0.240) 6.973 15.327 ( 0.347 -2.249 -10.071) 10.325 16.211 ( -4.545 3.586 8.715) 10.462 ======================= Grid point 407 (159/344) ======================= q-point: (-0.13 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 10.258 -19.950 0.618) 22.442 2.625 ( 13.156 -18.871 -4.746) 23.489 3.619 ( 3.807 -9.881 1.319) 10.671 4.205 ( 18.305 -18.592 5.412) 26.646 4.861 ( 5.929 -18.084 3.419) 19.336 5.570 ( -4.217 -3.814 -8.897) 10.559 6.258 ( 1.282 22.877 -1.153) 22.942 6.357 ( -8.495 5.853 -0.577) 10.332 6.957 ( -16.333 -0.328 -7.782) 18.096 8.614 ( 5.729 -4.727 2.757) 7.922 8.934 ( 3.293 -1.144 0.507) 3.522 10.083 ( -6.331 5.175 6.274) 10.307 11.307 ( -4.627 11.172 -0.919) 12.127 11.873 ( -5.576 13.868 -3.881) 15.442 12.420 ( -6.110 14.661 6.832) 17.291 13.413 ( 4.990 -3.643 0.689) 6.216 15.258 ( -0.255 -5.715 -8.633) 10.356 16.235 ( -2.969 10.606 5.980) 12.533 ======================= Grid point 421 (160/344) ======================= q-point: (-0.20 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -0.000 -15.561 -4.652) 16.242 2.315 ( 0.000 -21.018 -0.258) 21.019 3.558 ( 0.000 -8.275 1.713) 8.450 3.831 ( 0.000 -28.909 4.347) 29.234 4.766 ( 0.000 -19.619 5.785) 20.454 5.644 ( -0.000 -1.755 -10.806) 10.948 6.231 ( -0.000 20.880 0.729) 20.892 6.542 ( 0.000 1.802 0.918) 2.022 7.413 ( -0.000 10.365 -8.577) 13.453 8.464 ( 0.000 -2.336 1.564) 2.811 8.819 ( 0.000 -8.411 -0.915) 8.461 10.146 ( -0.000 3.577 0.306) 3.590 11.322 ( -0.000 15.777 0.161) 15.778 12.053 ( -0.000 17.443 -3.175) 17.729 12.577 ( 0.000 15.490 8.500) 17.669 13.264 ( 0.000 1.126 0.314) 1.169 15.240 ( -0.000 -6.082 -12.133) 13.572 16.317 ( 0.000 3.537 11.977) 12.488 ======================= Grid point 422 (161/344) ======================= q-point: (-0.13 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 5.010 -25.075 -2.821) 25.726 2.241 ( 10.155 -17.739 -4.846) 21.007 3.440 ( 1.020 -18.709 0.612) 18.747 3.694 ( 15.473 -24.438 2.560) 29.037 4.595 ( 2.845 -23.250 4.894) 23.929 5.575 ( -2.188 -1.090 -5.978) 6.458 6.450 ( -1.571 15.957 -0.002) 16.034 6.532 ( -1.709 8.306 2.354) 8.801 7.295 ( -19.825 9.671 -12.993) 25.600 8.495 ( 3.648 -2.699 3.152) 5.525 8.825 ( 7.388 -2.890 1.190) 8.022 10.177 ( 0.016 1.641 1.815) 2.447 11.468 ( -1.108 13.643 -0.974) 13.722 12.154 ( -7.309 18.356 -2.014) 19.860 12.702 ( -5.894 15.510 6.735) 17.907 13.321 ( 3.859 0.324 0.713) 3.938 15.137 ( 1.495 -8.793 -11.252) 14.358 16.387 ( -1.465 6.426 10.837) 12.684 ======================= Grid point 437 (162/344) ======================= q-point: (-0.13 -0.13 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.000 -26.124 -5.354) 26.667 1.895 ( -0.000 -22.268 -7.075) 23.365 3.108 ( 0.000 -43.520 1.474) 43.545 3.399 ( 0.000 -8.727 1.926) 8.937 4.332 ( 0.000 -27.614 3.249) 27.805 5.580 ( -0.000 1.312 -2.606) 2.917 6.564 ( -0.000 0.202 -0.462) 0.504 6.656 ( 0.000 15.824 4.784) 16.532 7.591 ( -0.000 20.615 -25.993) 33.176 8.502 ( 0.000 1.710 10.959) 11.091 8.678 ( 0.000 -6.101 2.046) 6.435 10.172 ( 0.000 -1.745 1.306) 2.179 11.614 ( -0.000 13.846 -1.814) 13.965 12.410 ( -0.000 19.683 -0.312) 19.686 12.939 ( 0.000 15.663 4.694) 16.351 13.302 ( 0.000 2.103 1.160) 2.402 14.976 ( -0.000 -11.448 -11.956) 16.553 16.493 ( 0.000 4.510 13.594) 14.323 ======================= Grid point 486 (163/344) ======================= q-point: ( 0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 -0.000 29.667) 29.667 0.637 ( 0.000 -0.000 29.667) 29.667 1.096 ( 0.000 -0.000 52.107) 52.107 3.053 ( -0.000 0.000 -3.615) 3.615 3.053 ( -0.000 0.000 -3.615) 3.615 5.587 ( -0.000 0.000 -9.096) 9.096 6.541 ( 0.000 -0.000 1.149) 1.149 6.541 ( 0.000 -0.000 1.149) 1.149 8.502 ( -0.000 0.000 -2.325) 2.325 8.502 ( -0.000 0.000 -2.325) 2.325 9.746 ( -0.000 0.000 -1.404) 1.404 11.405 ( 0.000 -0.000 4.031) 4.031 12.065 ( 0.000 -0.000 1.643) 1.643 12.065 ( 0.000 -0.000 1.643) 1.643 13.405 ( -0.000 0.000 -0.883) 0.883 13.405 ( -0.000 0.000 -0.883) 0.883 13.505 ( -0.000 0.000 -1.834) 1.834 16.373 ( -0.000 0.000 -0.381) 0.381 ======================= Grid point 487 (164/344) ======================= q-point: ( 0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 16.376 9.455 19.100) 26.877 0.993 ( 11.420 6.593 28.832) 31.704 1.719 ( 35.147 20.292 33.546) 52.654 3.102 ( 4.410 2.546 -3.335) 6.087 3.213 ( 15.107 8.722 -4.446) 18.002 5.541 ( -0.892 -0.515 -10.286) 10.337 6.533 ( -0.344 -0.199 0.627) 0.743 6.616 ( 3.634 2.098 -6.296) 7.566 8.128 ( -29.076 -16.787 0.414) 33.577 8.559 ( 3.805 2.197 -1.067) 4.521 9.692 ( -14.642 -8.453 11.181) 20.269 10.123 ( -19.459 -11.235 26.053) 34.404 11.979 ( -6.408 -3.699 0.611) 7.424 12.895 ( 2.324 1.342 -21.943) 22.106 13.296 ( -7.844 -4.528 -3.103) 9.574 13.410 ( -0.293 -0.169 -0.212) 0.400 14.110 ( 35.459 20.472 -5.659) 41.333 16.481 ( 8.303 4.794 -9.871) 13.761 ======================= Grid point 488 (165/344) ======================= q-point: ( 0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 21.245 12.266 10.187) 26.563 1.410 ( 17.513 10.111 20.001) 28.443 2.687 ( 38.793 22.397 20.707) 49.349 3.221 ( 6.567 3.791 -3.130) 8.203 3.659 ( 23.754 13.715 -4.416) 27.782 5.481 ( -1.140 -0.658 -10.024) 10.110 6.530 ( -0.037 -0.022 -0.078) 0.089 6.651 ( 2.221 1.282 -10.100) 10.420 7.409 ( -30.464 -17.588 1.967) 35.231 8.664 ( 5.265 3.040 0.573) 6.107 9.365 ( -14.780 -8.533 19.293) 25.758 10.087 ( 0.259 0.150 -1.059) 1.100 11.785 ( -10.258 -5.923 -0.570) 11.859 12.687 ( -11.990 -6.923 -9.389) 16.728 13.056 ( -10.718 -6.188 -6.480) 13.970 13.391 ( -1.326 -0.766 0.421) 1.588 14.660 ( 15.349 8.862 5.681) 18.612 16.615 ( 5.786 3.341 -9.917) 11.957 ======================= Grid point 489 (166/344) ======================= q-point: ( 0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 19.627 11.332 6.399) 23.549 1.913 ( 21.021 12.136 11.878) 27.023 3.367 ( 6.857 3.959 -3.146) 8.520 3.581 ( 33.373 19.268 10.255) 39.877 4.216 ( 24.865 14.356 -2.122) 28.790 5.426 ( -0.929 -0.536 -7.394) 7.472 6.529 ( 0.084 0.048 -0.779) 0.785 6.614 ( -5.785 -3.340 -10.768) 12.672 6.870 ( -12.897 -7.446 5.292) 15.804 8.795 ( 5.583 3.223 2.272) 6.835 9.118 ( -12.644 -7.300 16.050) 21.697 9.988 ( -7.919 -4.572 -9.935) 13.502 11.520 ( -12.165 -7.023 -1.650) 14.143 12.345 ( -15.029 -8.677 -3.191) 17.645 12.796 ( -9.421 -5.439 -7.148) 13.016 13.355 ( -1.885 -1.088 0.805) 2.320 14.941 ( 7.981 4.608 7.797) 12.071 16.670 ( 1.332 0.769 -5.590) 5.797 ======================= Grid point 490 (167/344) ======================= q-point: ( 0.40 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 15.935 9.200 4.642) 18.977 2.439 ( 21.805 12.589 6.310) 25.957 3.503 ( 5.735 3.311 -3.163) 7.339 4.227 ( 20.864 12.046 -6.067) 24.843 4.765 ( 22.029 12.719 6.522) 26.260 5.393 ( -0.089 -0.051 -2.765) 2.766 6.384 ( -7.336 -4.236 5.587) 10.147 6.526 ( -0.179 -0.104 -1.250) 1.267 6.826 ( 3.115 1.798 -3.315) 4.891 8.885 ( -12.052 -6.958 13.473) 19.370 8.927 ( 4.906 2.833 3.516) 6.668 9.659 ( -16.211 -9.360 -15.634) 24.389 11.232 ( -11.998 -6.927 -2.360) 14.053 12.005 ( -13.584 -7.843 -1.319) 15.741 12.584 ( -7.099 -4.099 -5.147) 9.679 13.315 ( -1.758 -1.015 0.865) 2.206 15.103 ( 4.408 2.545 5.739) 7.670 16.643 ( -2.326 -1.343 -2.048) 3.378 ======================= Grid point 491 (168/344) ======================= q-point: ( 0.47 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 11.403 6.584 3.274) 13.568 2.949 ( 21.230 12.257 2.207) 24.614 3.605 ( 4.089 2.361 -2.663) 5.420 4.463 ( 3.798 2.193 -18.724) 19.230 5.219 ( 12.847 7.417 9.500) 17.616 5.462 ( 7.639 4.410 7.875) 11.825 6.357 ( 0.891 0.515 9.103) 9.161 6.511 ( -0.638 -0.368 -1.404) 1.585 6.909 ( 4.889 2.823 -4.396) 7.155 8.665 ( -10.289 -5.940 9.114) 14.973 9.040 ( 3.681 2.125 3.919) 5.782 9.195 ( -18.107 -10.454 -12.844) 24.538 10.967 ( -10.071 -5.815 -2.520) 11.899 11.721 ( -10.607 -6.124 -1.637) 12.357 12.433 ( -4.893 -2.825 -3.350) 6.569 13.284 ( -1.138 -0.657 0.687) 1.482 15.194 ( 2.395 1.383 2.998) 4.079 16.561 ( -4.211 -2.431 -0.104) 4.863 ======================= Grid point 492 (169/344) ======================= q-point: ( 0.53 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 6.325 3.652 1.389) 7.435 3.424 ( 19.970 11.530 -1.392) 23.102 3.676 ( 2.806 1.620 -1.194) 3.453 4.333 ( -7.549 -4.358 -20.400) 22.184 5.440 ( 6.110 3.528 6.221) 9.406 5.725 ( 7.438 4.294 14.462) 16.820 6.381 ( -1.341 -0.774 -1.567) 2.203 6.489 ( -0.770 -0.444 -1.395) 1.654 7.010 ( 4.797 2.770 -3.125) 6.360 8.496 ( -5.568 -3.215 1.418) 6.584 8.831 ( -10.588 -6.113 5.213) 13.291 9.120 ( 2.142 1.236 3.613) 4.378 10.764 ( -6.689 -3.862 -2.249) 8.044 11.511 ( -6.909 -3.989 -2.582) 8.385 12.332 ( -3.092 -1.785 -3.030) 4.682 13.267 ( -0.524 -0.302 0.434) 0.744 15.242 ( 1.355 0.782 0.944) 1.828 16.461 ( -4.269 -2.465 0.371) 4.943 ======================= Grid point 493 (170/344) ======================= q-point: ( 0.60 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 1.096 0.633 -0.757) 1.475 3.730 ( 1.943 1.122 0.803) 2.383 3.844 ( 16.725 9.656 -6.789) 20.471 4.036 ( -11.158 -6.442 -16.290) 20.769 5.531 ( -0.859 -0.496 1.897) 2.140 5.793 ( -4.378 -2.528 4.238) 6.597 6.320 ( -1.082 -0.625 -5.322) 5.467 6.471 ( -0.291 -0.168 -1.418) 1.457 7.095 ( 3.192 1.843 -2.089) 4.237 8.418 ( -2.162 -1.248 1.877) 3.124 8.800 ( 3.792 2.190 21.869) 22.303 9.159 ( 0.187 0.108 3.085) 3.092 10.655 ( -2.021 -1.167 -1.860) 2.985 11.393 ( -2.363 -1.364 -3.331) 4.306 12.268 ( -1.389 -0.802 -3.911) 4.227 13.260 ( -0.262 -0.151 0.211) 0.369 15.268 ( 0.805 0.465 0.088) 0.934 16.377 ( -2.945 -1.700 -0.382) 3.422 ======================= Grid point 494 (171/344) ======================= q-point: (-0.33 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -3.461 -1.998 -1.886) 4.419 3.647 ( -14.743 -8.512 -15.818) 23.238 3.766 ( 0.588 0.339 2.010) 2.121 4.212 ( 14.246 8.225 -7.837) 18.221 5.386 ( -8.038 -4.640 -9.601) 13.353 5.664 ( -6.530 -3.770 -0.643) 7.567 6.283 ( -3.051 -1.762 2.268) 4.190 6.469 ( 0.590 0.341 -1.493) 1.641 7.143 ( 1.649 0.952 -1.055) 2.177 8.403 ( -0.577 -0.333 7.308) 7.339 9.098 ( 13.460 7.771 24.569) 29.072 9.147 ( -2.167 -1.251 2.601) 3.609 10.664 ( 3.368 1.945 -1.491) 4.166 11.384 ( 2.658 1.534 -3.440) 4.610 12.245 ( 0.884 0.510 -5.171) 5.270 13.255 ( -0.238 -0.137 0.021) 0.275 15.280 ( 0.113 0.065 0.575) 0.589 16.329 ( -0.777 -0.448 -2.165) 2.343 ======================= Grid point 495 (172/344) ======================= q-point: (-0.27 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -7.237 -4.178 -1.426) 8.477 3.236 ( -16.848 -9.727 -11.554) 22.627 3.762 ( -1.677 -0.968 1.910) 2.720 4.431 ( 6.617 3.820 -11.767) 14.030 5.238 ( -1.152 -0.665 -6.628) 6.760 5.475 ( -8.713 -5.030 -2.756) 10.431 6.170 ( -7.581 -4.377 5.124) 10.143 6.488 ( 1.403 0.810 -1.473) 2.189 7.174 ( 1.217 0.703 1.287) 1.906 8.431 ( 0.529 0.305 7.457) 7.482 9.078 ( -4.478 -2.585 1.994) 5.541 9.521 ( 15.429 8.908 20.495) 27.157 10.796 ( 8.341 4.816 -0.990) 9.682 11.491 ( 7.492 4.326 -2.425) 8.985 12.283 ( 4.401 2.541 -5.940) 7.817 13.250 ( -0.075 -0.044 -0.179) 0.199 15.272 ( -1.352 -0.781 2.363) 2.832 16.328 ( 1.698 0.980 -4.755) 5.143 ======================= Grid point 496 (173/344) ======================= q-point: (-0.20 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -10.845 -6.261 0.366) 12.528 2.795 ( -18.905 -10.915 -6.802) 22.865 3.697 ( -4.378 -2.528 0.904) 5.136 4.363 ( -10.536 -6.083 -10.915) 16.345 5.148 ( -9.067 -5.235 -3.365) 10.997 5.416 ( 5.720 3.302 2.315) 6.998 6.039 ( -1.997 -1.153 2.977) 3.766 6.519 ( 1.635 0.944 -1.150) 2.210 7.214 ( 1.447 0.836 5.575) 5.820 8.469 ( 0.994 0.574 2.945) 3.161 8.961 ( -6.036 -3.485 0.950) 7.035 9.900 ( 11.909 6.876 12.363) 18.492 11.028 ( 11.763 6.791 -0.182) 13.584 11.709 ( 11.868 6.852 -0.185) 13.705 12.415 ( 8.933 5.157 -5.736) 11.803 13.253 ( 0.449 0.259 -0.438) 0.678 15.228 ( -3.779 -2.182 5.190) 6.780 16.370 ( 3.739 2.159 -7.760) 8.880 ======================= Grid point 497 (174/344) ======================= q-point: (-0.13 0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -14.852 -8.575 3.210) 17.447 2.322 ( -21.031 -12.142 -1.300) 24.319 3.570 ( -6.653 -3.841 -0.503) 7.698 3.880 ( -27.656 -15.967 -5.874) 32.470 4.832 ( -17.296 -9.986 -6.197) 20.911 5.535 ( 1.340 0.773 9.883) 10.003 6.243 ( 18.482 10.670 -1.418) 21.388 6.549 ( 1.089 0.629 -0.433) 1.330 7.299 ( 4.156 2.400 13.027) 13.883 8.494 ( 1.405 0.811 -4.267) 4.565 8.817 ( -6.304 -3.639 -0.548) 7.299 10.128 ( 5.259 3.036 3.904) 7.220 11.318 ( 13.020 7.517 0.858) 15.059 12.028 ( 15.449 8.920 1.604) 17.911 12.648 ( 12.655 7.306 -4.982) 15.438 13.270 ( 1.200 0.693 -0.783) 1.592 15.131 ( -6.765 -3.906 8.659) 11.661 16.436 ( 4.540 2.621 -10.763) 11.972 ======================= Grid point 502 (175/344) ======================= q-point: ( 0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.000 24.906 19.947) 31.909 1.172 ( 0.000 22.232 22.000) 31.277 1.693 ( 0.000 23.179 38.878) 45.264 3.052 ( -0.000 3.818 -5.193) 6.446 3.241 ( -0.000 19.563 -3.290) 19.838 5.509 ( -0.000 0.040 -11.597) 11.597 6.567 ( 0.000 0.767 1.501) 1.685 6.593 ( -0.000 4.230 -5.420) 6.875 8.398 ( -0.000 -6.467 -5.146) 8.265 8.474 ( -0.000 1.153 -3.115) 3.322 9.680 ( 0.000 -25.406 12.533) 28.329 10.076 ( 0.000 -34.976 25.383) 43.216 12.048 ( 0.000 -4.760 2.272) 5.275 12.801 ( -0.000 4.479 -20.045) 20.539 13.338 ( -0.000 -7.007 -2.322) 7.382 13.366 ( -0.000 -1.956 -1.295) 2.346 14.150 ( -0.000 49.596 -6.132) 49.974 16.366 ( -0.000 -1.988 -6.687) 6.977 ======================= Grid point 503 (176/344) ======================= q-point: ( 0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.140 25.357 16.294) 30.163 1.435 ( 6.375 19.701 20.206) 28.932 2.379 ( 29.698 25.336 22.545) 45.080 3.156 ( 6.931 6.375 -5.274) 10.793 3.531 ( 9.700 23.556 -1.989) 25.553 5.465 ( -1.030 1.161 -11.532) 11.636 6.551 ( -2.173 0.395 0.802) 2.350 6.623 ( 1.013 2.838 -6.851) 7.484 7.884 ( -36.022 -8.754 -1.106) 37.087 8.576 ( 5.984 0.303 -0.903) 6.059 9.388 ( -0.762 -30.023 20.892) 36.585 10.048 ( 3.776 -0.827 1.451) 4.129 11.908 ( -8.697 -5.842 1.122) 10.537 12.700 ( -3.848 -8.200 -12.205) 15.199 13.135 ( -9.674 -10.020 -3.870) 14.455 13.366 ( 1.587 -2.731 -0.819) 3.263 14.661 ( 7.602 29.048 3.695) 30.253 16.412 ( 10.606 -4.107 -10.676) 15.599 ======================= Grid point 504 (177/344) ======================= q-point: ( 0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 11.403 17.593 15.650) 26.163 1.862 ( 9.636 23.287 9.869) 27.066 3.163 ( 24.772 12.756 6.861) 28.696 3.383 ( 14.002 15.790 -2.629) 21.267 4.004 ( 18.219 21.638 1.577) 28.331 5.423 ( -1.450 2.357 -9.597) 9.988 6.505 ( -2.186 -2.620 0.012) 3.413 6.642 ( 0.657 3.027 -7.453) 8.071 7.212 ( -30.671 -5.681 4.410) 31.503 8.685 ( 7.255 -2.088 1.915) 7.789 9.197 ( -2.370 -17.015 13.607) 21.915 10.036 ( -4.330 -1.760 -7.313) 8.679 11.671 ( -11.893 -5.930 0.063) 13.289 12.445 ( -10.162 -11.561 -4.941) 16.166 12.841 ( -8.687 -11.103 -6.366) 15.468 13.359 ( 0.455 -1.612 -0.216) 1.689 14.982 ( 2.101 15.814 9.713) 18.677 16.513 ( 9.967 -6.098 -9.541) 15.085 ======================= Grid point 505 (178/344) ======================= q-point: ( 0.40 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 13.503 19.078 7.907) 24.674 2.281 ( 12.752 17.025 8.225) 22.806 3.440 ( 6.483 6.123 -3.024) 9.416 3.950 ( 23.722 15.052 -7.699) 29.131 4.565 ( 20.940 18.082 9.203) 29.157 5.398 ( -1.236 2.933 -6.036) 6.824 6.423 ( -2.749 -4.730 1.896) 5.790 6.625 ( -5.248 2.860 -3.219) 6.788 6.844 ( -8.753 -0.440 5.174) 10.177 8.769 ( 5.571 -8.522 5.845) 11.739 9.063 ( -3.489 -5.134 7.515) 9.747 9.796 ( -14.260 -6.094 -13.936) 20.849 11.393 ( -13.546 -5.135 -0.711) 14.504 12.120 ( -12.065 -11.505 -1.095) 16.707 12.599 ( -4.867 -9.689 -6.279) 12.530 13.351 ( -0.904 0.939 0.139) 1.310 15.144 ( -0.618 8.801 8.789) 12.453 16.550 ( 5.701 -8.422 -5.653) 11.636 ======================= Grid point 506 (179/344) ======================= q-point: ( 0.47 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 6.729 17.472 4.677) 19.298 2.741 ( 18.699 13.757 4.083) 23.571 3.575 ( 3.763 5.974 -3.074) 7.700 4.322 ( 11.115 7.447 -18.683) 22.979 5.101 ( 16.650 12.715 13.320) 24.826 5.419 ( 3.045 3.608 0.952) 4.816 6.383 ( -0.121 -0.811 7.411) 7.456 6.537 ( -4.808 -0.294 1.956) 5.199 6.837 ( 3.442 0.174 -0.378) 3.467 8.706 ( -2.461 -12.262 7.584) 14.626 9.054 ( 0.495 2.305 0.860) 2.509 9.379 ( -18.028 -7.572 -12.578) 23.250 11.114 ( -12.745 -3.725 -1.398) 13.352 11.812 ( -10.905 -9.862 -0.537) 14.713 12.434 ( -2.432 -7.492 -4.603) 9.123 13.351 ( -2.294 4.557 0.257) 5.108 15.212 ( -1.174 3.675 5.625) 6.821 16.510 ( 2.313 -10.089 -2.496) 10.647 ======================= Grid point 507 (180/344) ======================= q-point: ( 0.53 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 2.732 13.796 2.686) 14.318 3.194 ( 18.325 11.139 -0.911) 21.464 3.678 ( 2.435 6.615 -1.767) 7.267 4.360 ( -3.649 3.545 -21.925) 22.507 5.394 ( 6.036 4.965 7.068) 10.537 5.656 ( 11.913 5.373 13.933) 19.103 6.393 ( -1.338 -1.847 0.904) 2.453 6.469 ( -1.885 -3.337 1.065) 3.978 6.919 ( 5.985 -0.671 0.311) 6.030 8.552 ( -5.282 -6.284 1.966) 8.441 8.928 ( -9.207 -7.929 -6.446) 13.754 9.183 ( -1.637 4.470 6.877) 8.364 10.888 ( -10.095 -0.557 -1.808) 10.270 11.549 ( -8.068 -9.240 -1.169) 12.322 12.325 ( -1.332 -5.276 -3.904) 6.698 13.364 ( -3.880 8.360 0.261) 9.221 15.228 ( -0.161 -0.448 2.595) 2.639 16.425 ( 0.828 -10.621 -0.808) 10.684 ======================= Grid point 508 (181/344) ======================= q-point: ( 0.60 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -2.013 10.063 0.070) 10.262 3.547 ( 13.668 2.519 -4.501) 14.609 3.816 ( 4.950 12.474 -1.127) 13.468 4.171 ( -12.705 3.674 -19.068) 23.205 5.534 ( 2.801 1.740 5.094) 6.068 5.843 ( -0.669 -1.868 9.345) 9.553 6.297 ( -1.950 -3.084 -8.623) 9.363 6.414 ( 1.014 -6.241 0.537) 6.346 7.014 ( 5.638 -1.767 0.868) 5.972 8.463 ( -2.197 0.565 1.812) 2.904 8.790 ( 1.075 -4.498 9.570) 10.628 9.241 ( -1.157 5.441 7.315) 9.190 10.752 ( -7.052 4.510 -1.638) 8.530 11.354 ( -2.872 -9.465 -2.074) 10.106 12.250 ( -0.636 -3.605 -4.521) 5.817 13.381 ( -5.671 11.132 0.246) 12.496 15.226 ( 1.655 -3.208 0.660) 3.670 16.333 ( 1.008 -10.150 -0.463) 10.210 ======================= Grid point 509 (182/344) ======================= q-point: (-0.33 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -6.121 6.500 -1.671) 9.083 3.647 ( 0.441 -3.598 -7.650) 8.466 3.915 ( -11.802 4.065 -9.599) 15.747 4.091 ( 8.588 16.060 -6.404) 19.305 5.479 ( -9.690 -2.437 -7.255) 12.348 5.716 ( -5.121 -4.756 -0.952) 7.053 6.274 ( 1.777 -4.133 2.117) 4.972 6.386 ( 3.167 -7.109 0.716) 7.815 7.075 ( 4.213 -3.432 0.723) 5.482 8.466 ( -1.701 2.879 6.148) 6.999 8.925 ( 10.930 -1.569 12.435) 16.629 9.306 ( -1.407 7.672 10.806) 13.327 10.725 ( -3.928 9.797 -0.904) 10.594 11.262 ( 4.149 -8.934 -2.783) 10.236 12.202 ( 0.710 -2.466 -5.808) 6.350 13.387 ( -7.126 11.960 0.205) 13.924 15.231 ( 3.047 -4.063 0.195) 5.082 16.263 ( 2.325 -9.041 -1.244) 9.417 ======================= Grid point 510 (183/344) ======================= q-point: (-0.27 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -9.316 3.958 -1.568) 10.243 3.415 ( -16.039 -2.764 -12.914) 20.776 3.828 ( -3.757 3.190 0.705) 4.978 4.342 ( 6.795 11.501 -11.180) 17.419 5.265 ( -5.851 1.297 -11.584) 13.043 5.567 ( -7.830 -5.490 0.155) 9.564 6.221 ( -2.786 -8.182 6.257) 10.670 6.387 ( 4.838 -6.973 0.380) 8.496 7.103 ( 3.876 -5.229 1.706) 6.729 8.497 ( -1.571 4.152 7.066) 8.345 9.073 ( 3.210 -3.166 3.840) 5.922 9.495 ( 7.950 10.470 17.280) 21.712 10.800 ( 0.030 12.148 -0.200) 12.150 11.308 ( 10.791 -5.708 -2.312) 12.424 12.195 ( 3.627 -1.426 -6.951) 7.969 13.374 ( -7.465 10.796 0.090) 13.126 15.249 ( 2.707 -3.182 1.380) 4.399 16.229 ( 4.325 -7.509 -3.046) 9.185 ======================= Grid point 511 (184/344) ======================= q-point: (-0.20 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -12.416 2.515 0.033) 12.669 3.026 ( -20.604 -3.411 -8.967) 22.728 3.780 ( -5.167 1.014 0.776) 5.322 4.429 ( -3.081 5.139 -13.118) 14.421 5.247 ( -4.033 1.203 0.831) 4.289 5.378 ( -1.693 0.619 -4.620) 4.960 6.079 ( -4.803 -8.741 6.513) 11.912 6.415 ( 6.048 -6.339 -0.301) 8.767 7.124 ( 5.002 -7.464 3.974) 9.824 8.533 ( -2.325 5.170 4.418) 7.187 9.034 ( -4.169 -2.504 1.534) 5.099 9.824 ( 11.290 7.958 11.994) 18.293 10.961 ( 5.394 10.712 0.062) 11.994 11.498 ( 15.005 -0.583 -0.050) 15.017 12.264 ( 8.421 0.050 -7.325) 11.161 13.349 ( -6.352 8.408 -0.108) 10.538 15.261 ( 0.047 -1.814 4.173) 4.550 16.243 ( 6.431 -5.376 -5.710) 10.143 ======================= Grid point 512 (185/344) ======================= q-point: (-0.13 0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -16.453 1.866 2.634) 16.767 2.584 ( -22.476 -6.069 -3.884) 23.603 3.667 ( -7.915 -1.567 -0.402) 8.079 4.201 ( -20.962 -2.063 -8.138) 22.580 5.001 ( -14.634 -6.038 -5.442) 16.740 5.538 ( 4.260 2.037 10.790) 11.778 6.068 ( 10.475 4.643 -0.167) 11.459 6.463 ( 6.086 -4.939 -0.704) 7.870 7.165 ( 8.065 -10.169 7.524) 15.002 8.540 ( -3.753 4.847 -0.248) 6.135 8.922 ( -6.517 -0.789 0.278) 6.570 10.076 ( 7.264 4.126 3.766) 9.163 11.195 ( 10.281 8.449 0.441) 13.314 11.796 ( 17.607 2.506 2.285) 17.930 12.439 ( 13.576 1.871 -7.004) 15.390 13.327 ( -4.161 5.749 -0.384) 7.107 15.232 ( -4.117 -1.521 7.917) 9.053 16.301 ( 7.474 -2.262 -8.608) 11.622 ======================= Grid point 518 (186/344) ======================= q-point: ( 0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 21.163 18.535) 28.132 1.731 ( 0.000 20.399 14.452) 25.000 2.470 ( 0.000 33.467 17.550) 37.790 3.134 ( -0.000 8.078 -5.523) 9.786 3.714 ( -0.000 27.474 -0.999) 27.492 5.459 ( -0.000 3.720 -11.096) 11.703 6.582 ( 0.000 -0.289 0.643) 0.705 6.614 ( -0.000 1.698 -5.810) 6.053 8.173 ( -0.000 -11.293 -11.517) 16.130 8.520 ( -0.000 5.377 -1.364) 5.547 9.057 ( 0.000 -37.979 28.594) 47.540 10.027 ( -0.000 3.640 -1.011) 3.778 11.901 ( 0.000 -11.202 0.978) 11.245 12.610 ( -0.000 -8.950 -9.845) 13.305 13.099 ( -0.000 -14.520 -4.250) 15.129 13.320 ( -0.000 -1.805 -0.524) 1.879 14.938 ( 0.000 30.431 6.674) 31.154 16.213 ( -0.000 -6.229 -10.903) 12.557 ======================= Grid point 519 (187/344) ======================= q-point: ( 0.33 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 1.696 16.829 16.585) 23.689 2.033 ( 5.050 22.753 10.634) 25.618 2.999 ( 15.786 25.520 6.123) 30.626 3.289 ( 9.576 11.095 -5.513) 15.658 4.046 ( 7.080 26.518 2.415) 27.553 5.462 ( -1.583 6.721 -9.055) 11.387 6.542 ( -3.391 -1.650 0.137) 3.774 6.613 ( 1.281 -0.779 -4.333) 4.585 7.707 ( -28.744 -9.177 -2.153) 30.251 8.567 ( 2.579 -1.750 2.702) 4.126 8.971 ( 9.963 -20.504 13.112) 26.298 10.053 ( -0.988 1.172 -5.109) 5.334 11.739 ( -4.699 -11.577 0.300) 12.498 12.444 ( -4.966 -10.702 -5.286) 12.928 12.838 ( -8.350 -16.389 -5.374) 19.162 13.320 ( 1.636 -1.184 -0.505) 2.081 15.217 ( -2.083 20.384 12.518) 24.011 16.209 ( 10.340 -7.385 -12.260) 17.657 ======================= Grid point 520 (188/344) ======================= q-point: ( 0.40 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( 9.622 16.146 11.154) 21.856 2.392 ( 6.461 22.188 8.348) 24.572 3.371 ( 8.241 9.302 -2.815) 12.743 3.691 ( 20.118 16.430 -9.026) 27.498 4.495 ( 14.023 22.609 8.611) 27.964 5.472 ( -3.290 8.727 -6.211) 11.205 6.452 ( -3.903 -2.652 1.511) 4.955 6.610 ( 2.309 -4.322 -1.724) 5.195 7.186 ( -23.979 -2.177 6.299) 24.888 8.610 ( 5.391 -6.711 3.988) 9.488 8.983 ( 4.902 -8.557 3.336) 10.411 9.919 ( -10.483 -3.617 -11.458) 15.945 11.529 ( -8.183 -8.864 0.667) 12.082 12.195 ( -9.717 -11.003 -0.206) 14.681 12.531 ( -4.960 -15.195 -6.902) 17.410 13.348 ( 1.959 0.957 -0.608) 2.264 15.354 ( -5.745 12.635 12.721) 18.827 16.273 ( 10.631 -10.616 -9.512) 17.781 ======================= Grid point 521 (189/344) ======================= q-point: ( 0.47 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( 13.742 13.627 6.148) 20.306 2.743 ( 5.535 22.463 5.971) 23.893 3.546 ( 5.485 6.100 -4.414) 9.316 4.108 ( 16.432 10.758 -15.671) 25.126 5.002 ( 16.544 16.607 12.681) 26.651 5.475 ( -3.902 8.123 -2.964) 9.487 6.400 ( -0.939 -1.492 4.967) 5.271 6.587 ( 1.127 -7.234 4.109) 8.396 6.898 ( -11.895 1.040 7.063) 13.873 8.623 ( 2.235 -7.069 3.239) 8.090 9.004 ( 3.938 -3.423 -1.819) 5.526 9.566 ( -17.216 -6.650 -14.468) 23.450 11.283 ( -11.399 -6.614 0.957) 13.214 11.920 ( -11.309 -7.660 1.230) 13.714 12.333 ( 0.292 -12.476 -5.586) 13.673 13.404 ( 1.720 4.633 -0.612) 4.979 15.370 ( -7.711 6.938 9.290) 13.925 16.281 ( 7.604 -14.155 -5.482) 16.977 ======================= Grid point 522 (190/344) ======================= q-point: ( 0.53 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 9.316 11.639 5.756) 15.981 3.066 ( 6.906 19.486 -1.495) 20.728 3.674 ( 5.056 5.837 -3.641) 8.537 4.344 ( 5.780 9.466 -18.312) 21.409 5.403 ( 5.571 9.193 9.468) 14.325 5.544 ( 8.301 5.612 6.199) 11.782 6.374 ( -0.561 -6.469 3.019) 7.161 6.542 ( -4.396 -1.656 7.907) 9.197 6.822 ( 1.163 -3.031 5.369) 6.274 8.573 ( -2.482 -3.198 0.900) 4.147 8.954 ( -4.795 -6.340 -13.173) 15.386 9.254 ( -4.988 -1.912 -0.150) 5.344 11.045 ( -9.779 -3.469 0.806) 10.407 11.654 ( -12.621 -5.396 0.755) 13.746 12.238 ( 2.048 -8.618 -4.163) 9.788 13.494 ( 0.542 9.620 -0.494) 9.648 15.304 ( -7.348 1.394 5.344) 9.192 16.225 ( 5.521 -16.334 -2.561) 17.431 ======================= Grid point 523 (191/344) ======================= q-point: ( 0.60 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( -2.552 13.595 2.361) 14.033 3.348 ( 11.814 6.297 -5.526) 14.483 3.841 ( 5.774 11.389 -2.708) 13.053 4.373 ( -7.032 12.324 -16.851) 22.030 5.523 ( 2.273 3.085 6.450) 7.502 5.801 ( 8.577 -0.801 11.519) 14.384 6.274 ( -2.434 -7.943 -4.135) 9.279 6.408 ( -8.442 -3.860 1.623) 9.423 6.880 ( 6.433 -5.664 6.406) 10.700 8.514 ( -2.294 1.641 1.088) 3.023 8.774 ( -2.344 -3.063 -5.636) 6.829 9.272 ( 3.217 -0.335 4.826) 5.810 10.907 ( -5.430 2.184 0.715) 5.897 11.390 ( -11.692 -5.409 0.419) 12.889 12.184 ( 1.262 -5.503 -4.477) 7.206 13.601 ( -2.603 14.890 -0.174) 15.117 15.201 ( -4.006 -3.939 2.180) 6.027 16.142 ( 4.994 -16.887 -1.077) 17.643 ======================= Grid point 524 (192/344) ======================= q-point: ( 0.67 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -6.828 8.277 -2.166) 10.947 3.549 ( 7.795 2.727 -3.604) 9.011 4.024 ( 0.475 11.415 -9.221) 14.682 4.295 ( -10.251 18.098 -9.151) 22.724 5.572 ( -2.279 -0.527 2.356) 3.320 5.768 ( -8.380 -6.600 -2.739) 11.013 6.167 ( 2.517 -6.108 -4.402) 7.938 6.291 ( -0.201 -8.076 7.962) 11.343 6.940 ( 5.828 -7.718 4.871) 10.828 8.541 ( -0.412 4.275 4.127) 5.956 8.805 ( 6.473 2.167 3.219) 7.547 9.349 ( 4.166 -0.517 5.639) 7.030 10.913 ( -1.224 9.699 1.323) 9.865 11.163 ( -7.429 -6.531 0.153) 9.893 12.135 ( 0.678 -4.154 -5.808) 7.173 13.680 ( -7.656 17.965 0.217) 19.530 15.125 ( 1.583 -6.919 0.400) 7.109 16.063 ( 5.610 -16.252 -0.795) 17.211 ======================= Grid point 525 (193/344) ======================= q-point: (-0.27 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -8.478 4.361 -2.539) 9.866 3.612 ( -5.609 6.169 -5.644) 10.069 3.950 ( -9.083 4.670 -7.922) 12.925 4.401 ( -0.220 19.641 -7.929) 21.183 5.388 ( -11.064 1.767 -12.464) 16.759 5.620 ( -3.888 -5.369 2.173) 6.976 6.132 ( 2.606 -11.473 2.869) 12.110 6.260 ( 2.032 -8.347 8.170) 11.855 6.962 ( 5.029 -9.538 4.414) 11.651 8.593 ( -1.007 6.119 3.514) 7.128 8.982 ( 7.007 1.735 4.229) 8.367 9.470 ( 8.197 0.984 7.240) 10.981 11.009 ( -6.580 5.612 0.659) 8.674 11.071 ( 7.752 3.400 1.975) 8.692 12.091 ( 2.005 -4.135 -7.220) 8.559 13.684 ( -11.753 16.165 0.283) 19.988 15.132 ( 5.893 -5.090 0.544) 7.806 16.012 ( 6.986 -14.750 -1.515) 16.391 ======================= Grid point 526 (194/344) ======================= q-point: (-0.20 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( -10.135 2.245 -1.211) 10.451 3.405 ( -22.701 8.756 -7.203) 25.375 3.862 ( -3.116 -0.059 -1.683) 3.542 4.524 ( -2.691 14.955 -12.241) 19.512 5.309 ( 0.016 8.830 -4.657) 9.983 5.461 ( -8.941 -4.974 0.277) 10.235 6.037 ( -0.527 -13.654 5.337) 14.669 6.250 ( 3.992 -8.235 5.946) 10.913 6.961 ( 4.892 -10.954 5.096) 13.034 8.648 ( -1.904 7.657 1.932) 8.123 9.048 ( 0.137 -2.026 1.190) 2.354 9.704 ( 13.096 2.458 5.086) 14.262 10.989 ( 3.091 -1.171 0.489) 3.342 11.314 ( 7.527 13.326 3.897) 15.793 12.090 ( 6.225 -4.017 -7.905) 10.834 13.610 ( -12.043 10.923 -0.053) 16.259 15.213 ( 5.290 -0.809 2.834) 6.055 16.008 ( 9.025 -11.791 -3.234) 15.197 ======================= Grid point 527 (195/344) ======================= q-point: (-0.13 0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -13.047 0.331 -0.299) 13.055 3.022 ( -27.190 6.109 -2.178) 27.953 3.778 ( -5.907 -1.213 -1.334) 6.177 4.485 ( -12.124 9.476 -11.776) 19.377 5.191 ( -14.404 -4.291 -0.577) 15.041 5.516 ( 6.637 7.251 7.779) 12.536 5.947 ( 4.665 -4.806 1.345) 6.832 6.281 ( 6.564 -7.197 3.435) 10.329 6.953 ( 5.499 -12.259 6.311) 14.844 8.675 ( -4.424 7.060 -0.723) 8.362 8.991 ( -3.121 -2.461 -0.274) 3.984 9.946 ( 11.649 0.082 -1.437) 11.737 11.099 ( 9.195 0.990 1.039) 9.307 11.594 ( 9.899 9.169 4.690) 14.285 12.192 ( 12.231 -1.410 -7.485) 14.409 13.504 ( -9.372 5.889 -0.454) 11.078 15.283 ( 0.487 0.136 6.294) 6.314 16.077 ( 11.042 -5.605 -5.310) 13.474 ======================= Grid point 534 (196/344) ======================= q-point: ( 0.33 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 15.420 16.441) 22.541 2.166 ( 0.000 15.487 8.318) 17.579 3.177 ( -0.000 29.589 -0.886) 29.602 3.286 ( -0.000 10.391 -4.630) 11.376 4.261 ( -0.000 26.110 3.413) 26.332 5.542 ( -0.000 11.653 -6.962) 13.574 6.556 ( 0.000 -6.195 -1.132) 6.297 6.559 ( -0.000 -1.915 -0.712) 2.043 7.795 ( -0.000 -17.443 -10.711) 20.469 8.654 ( 0.000 -18.934 17.846) 26.019 8.672 ( -0.000 9.492 1.728) 9.648 10.062 ( -0.000 1.309 -4.696) 4.875 11.626 ( 0.000 -15.993 -1.183) 16.037 12.369 ( -0.000 -9.988 -3.706) 10.654 12.719 ( -0.000 -19.632 -5.870) 20.491 13.291 ( 0.000 -1.211 0.591) 1.347 15.475 ( 0.000 14.741 16.936) 22.453 16.009 ( -0.000 -3.698 -15.003) 15.453 ======================= Grid point 535 (197/344) ======================= q-point: ( 0.40 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 2.191 14.138 10.238) 17.593 2.470 ( 9.267 14.625 9.593) 19.794 3.378 ( 2.078 12.787 -4.612) 13.751 3.546 ( 12.023 17.200 -8.775) 22.747 4.583 ( 6.179 24.170 7.027) 25.918 5.632 ( -3.108 14.983 -4.682) 16.002 6.472 ( -0.006 -10.332 1.748) 10.479 6.512 ( -1.186 -4.575 1.006) 4.832 7.477 ( -12.959 -11.455 -2.679) 17.502 8.525 ( -0.966 -5.026 6.723) 8.450 8.847 ( 5.323 2.237 2.288) 6.211 9.999 ( -5.936 -2.116 -8.435) 10.529 11.468 ( 0.732 -14.869 -0.943) 14.916 12.222 ( -4.983 -9.575 0.105) 10.794 12.432 ( -5.920 -19.592 -6.731) 21.546 13.311 ( 2.766 0.243 0.227) 2.786 15.603 ( -3.280 5.949 16.665) 17.997 16.000 ( 5.582 -2.185 -13.021) 14.335 ======================= Grid point 536 (198/344) ======================= q-point: ( 0.47 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 8.456 13.057 6.737) 16.952 2.831 ( 11.180 16.270 7.833) 21.239 3.506 ( 2.998 7.248 -6.893) 10.442 3.891 ( 15.551 11.390 -11.535) 22.463 4.980 ( 10.480 19.449 9.304) 23.972 5.681 ( -7.030 14.628 -3.209) 16.544 6.370 ( 1.541 -14.810 4.599) 15.584 6.475 ( 1.386 -3.898 6.805) 7.964 7.174 ( -13.879 -3.074 4.048) 14.780 8.532 ( 3.024 -1.272 0.144) 3.284 8.917 ( 1.499 0.504 -1.013) 1.879 9.733 ( -14.931 -6.140 -13.771) 21.220 11.332 ( -2.907 -10.920 0.635) 11.318 12.025 ( -7.710 -7.178 3.608) 11.134 12.161 ( -0.691 -16.741 -6.923) 18.130 13.390 ( 4.225 3.642 -0.506) 5.601 15.613 ( -6.271 2.614 12.399) 14.139 16.006 ( 4.458 -7.902 -8.156) 12.200 ======================= Grid point 537 (199/344) ======================= q-point: ( 0.53 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 11.018 10.229 3.844) 15.518 3.205 ( 6.957 19.823 4.582) 21.502 3.590 ( 5.790 2.414 -7.513) 9.788 4.218 ( 13.910 10.279 -11.207) 20.609 5.362 ( 11.321 11.618 9.357) 18.727 5.666 ( -8.290 11.503 -0.730) 14.198 6.263 ( 2.825 -18.169 6.974) 19.665 6.535 ( 3.813 -1.124 10.402) 11.136 6.956 ( -12.085 -0.198 5.708) 13.366 8.576 ( 1.545 2.345 -3.171) 4.236 8.895 ( -1.726 -3.979 -7.712) 8.848 9.357 ( -12.961 -5.178 -10.317) 17.356 11.148 ( -7.311 -7.217 2.218) 10.510 11.825 ( -10.696 -4.418 -0.413) 11.580 12.055 ( 5.987 -11.242 -1.698) 12.850 13.526 ( 5.101 8.140 -0.903) 9.649 15.523 ( -10.744 1.445 8.241) 13.617 15.942 ( 4.587 -15.276 -4.638) 16.610 ======================= Grid point 538 (200/344) ======================= q-point: ( 0.60 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.174 ( 11.373 7.225 1.853) 13.600 3.387 ( -4.029 11.149 -3.593) 12.387 3.798 ( 12.115 11.404 -2.505) 16.825 4.474 ( 5.978 13.257 -11.083) 18.285 5.599 ( -1.616 5.001 5.972) 7.956 5.678 ( 5.152 2.892 6.000) 8.420 6.160 ( 2.636 -16.044 5.100) 17.040 6.567 ( -6.001 -1.077 4.325) 7.475 6.800 ( -4.162 -3.893 7.585) 9.488 8.595 ( -3.298 5.261 -2.507) 6.696 8.740 ( -1.722 -4.531 -12.353) 13.270 9.211 ( 0.642 -2.925 -0.498) 3.035 11.000 ( -5.110 -1.897 3.985) 6.752 11.576 ( -12.098 -4.280 -1.844) 12.964 12.071 ( 4.365 -5.045 -1.344) 6.805 13.719 ( 4.957 13.444 -0.857) 14.355 15.336 ( -12.910 -1.494 4.344) 13.703 15.845 ( 6.150 -19.779 -2.120) 20.821 ======================= Grid point 539 (201/344) ======================= q-point: ( 0.67 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( -5.327 4.363 -6.060) 9.172 3.427 ( 9.521 5.462 1.801) 11.123 4.105 ( 5.629 17.713 -5.147) 19.286 4.596 ( -5.108 17.873 -9.749) 20.990 5.592 ( -1.493 -0.767 6.035) 6.264 5.768 ( 1.427 -7.652 5.363) 9.452 6.065 ( 0.663 -9.182 -5.144) 10.545 6.350 ( -12.250 -4.032 4.660) 13.713 6.784 ( 3.876 -8.561 7.450) 11.992 8.590 ( 0.182 3.530 0.746) 3.613 8.753 ( 4.198 5.257 -3.858) 7.755 9.229 ( 5.344 -5.222 -0.242) 7.476 10.963 ( -1.555 0.722 6.209) 6.442 11.342 ( -10.310 0.244 -2.543) 10.622 12.070 ( 0.635 -2.751 -3.014) 4.130 13.937 ( 0.844 18.900 -0.311) 18.921 15.110 ( -8.807 -6.037 1.433) 10.773 15.755 ( 7.679 -20.957 -0.813) 22.334 ======================= Grid point 540 (202/344) ======================= q-point: (-0.27 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -6.892 2.777 -3.480) 8.205 3.624 ( 7.188 4.245 -0.328) 8.354 4.215 ( -10.864 15.360 -10.606) 21.598 4.649 ( -5.961 20.946 -5.984) 22.584 5.551 ( -7.279 -0.785 -3.105) 7.952 5.618 ( -3.830 -6.095 -0.915) 7.256 5.980 ( 2.032 -10.572 -1.525) 10.872 6.208 ( -2.117 -7.670 13.125) 15.349 6.786 ( 4.910 -10.968 5.868) 13.373 8.661 ( 1.443 6.209 0.143) 6.376 8.913 ( 6.253 5.422 2.634) 8.686 9.290 ( 9.428 -5.846 -1.544) 11.200 10.929 ( -1.739 -7.417 5.174) 9.209 11.294 ( -2.426 14.995 0.145) 15.191 12.016 ( -1.330 -3.728 -4.842) 6.254 14.062 ( -10.197 19.168 0.297) 21.713 14.987 ( 2.994 -5.871 0.127) 6.592 15.693 ( 9.239 -19.985 -0.562) 22.024 ======================= Grid point 541 (203/344) ======================= q-point: (-0.20 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -8.438 2.286 -1.115) 8.813 3.746 ( 0.988 5.629 -1.272) 5.855 3.999 ( -20.935 7.555 -8.924) 23.979 4.740 ( -5.770 19.511 -8.768) 22.155 5.414 ( -4.547 7.714 -7.044) 11.393 5.535 ( -3.977 -4.916 3.593) 7.273 5.893 ( 1.815 -14.347 3.241) 14.820 6.168 ( 0.474 -7.287 12.693) 14.644 6.779 ( 5.131 -11.415 5.296) 13.590 8.750 ( 0.118 8.596 -0.525) 8.613 9.011 ( 1.945 -2.120 0.562) 2.932 9.457 ( 14.875 -2.479 -2.887) 15.354 10.857 ( 2.507 -7.935 3.185) 8.910 11.488 ( 1.050 20.811 4.209) 21.258 11.933 ( 1.133 -7.204 -6.414) 9.712 13.963 ( -16.544 10.179 -0.144) 19.425 15.097 ( 9.228 2.170 1.606) 9.615 15.682 ( 11.380 -16.327 -1.300) 19.944 ======================= Grid point 542 (204/344) ======================= q-point: (-0.13 0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( -10.847 2.039 0.649) 11.056 3.576 ( -28.825 8.137 -2.736) 30.076 3.811 ( -0.290 -1.561 -3.529) 3.869 4.746 ( -9.386 14.739 -11.913) 21.148 5.378 ( -10.500 -3.870 2.964) 11.577 5.523 ( 4.606 8.599 5.415) 11.157 5.809 ( 3.834 -8.041 1.008) 8.965 6.167 ( 1.973 -5.262 10.990) 12.344 6.775 ( 4.808 -10.067 4.971) 12.214 8.810 ( -3.198 6.962 -1.610) 7.829 8.981 ( 0.122 -4.034 -1.392) 4.269 9.670 ( 14.824 -4.559 -8.422) 17.648 10.910 ( 9.143 -3.830 2.879) 10.322 11.681 ( -2.490 11.589 6.057) 13.311 11.942 ( 11.392 -2.569 -6.788) 13.507 13.754 ( -14.332 3.546 -0.730) 14.782 15.263 ( 4.647 1.178 4.428) 6.526 15.784 ( 14.626 -5.493 -2.500) 15.822 ======================= Grid point 550 (205/344) ======================= q-point: ( 0.40 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 0.000 11.061 4.424) 11.912 2.515 ( 0.000 11.130 13.367) 17.394 3.465 ( -0.000 9.986 -3.607) 10.617 3.575 ( -0.000 15.146 -12.213) 19.457 4.800 ( 0.000 24.372 7.331) 25.451 5.818 ( -0.000 18.379 -2.999) 18.622 6.315 ( 0.000 -20.346 7.293) 21.614 6.504 ( -0.000 -2.672 -1.162) 2.914 7.411 ( -0.000 -13.430 -7.808) 15.535 8.525 ( 0.000 -2.763 5.303) 5.979 8.900 ( 0.000 10.873 3.606) 11.456 10.009 ( -0.000 -2.313 -7.278) 7.636 11.274 ( 0.000 -17.383 -2.542) 17.568 12.173 ( 0.000 -8.196 -1.710) 8.372 12.267 ( 0.000 -21.229 -3.889) 21.583 13.277 ( 0.000 -0.804 1.065) 1.335 15.632 ( 0.000 -7.584 6.325) 9.876 16.007 ( -0.000 10.409 -2.204) 10.640 ======================= Grid point 551 (206/344) ======================= q-point: ( 0.47 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 3.860 10.958 5.683) 12.934 2.765 ( 11.288 9.045 9.073) 17.075 3.547 ( -0.321 8.460 -6.264) 10.532 3.733 ( 9.721 8.797 -10.194) 16.607 5.094 ( 3.818 21.523 7.125) 22.991 5.946 ( -5.239 16.543 -1.728) 17.438 6.139 ( 2.421 -24.484 10.338) 26.687 6.472 ( 0.012 -1.238 1.390) 1.861 7.252 ( -2.758 -8.132 -4.565) 9.725 8.528 ( -0.657 3.272 0.424) 3.364 8.984 ( -3.249 7.915 2.043) 8.797 9.856 ( -10.548 -5.182 -10.992) 16.092 11.164 ( 6.200 -14.149 -1.525) 15.523 11.994 ( -3.217 -18.854 -7.204) 20.439 12.070 ( -4.207 -7.417 4.621) 9.699 13.328 ( 5.436 1.087 0.495) 5.566 15.584 ( 2.783 -9.618 1.489) 10.123 16.056 ( -5.828 7.237 2.743) 9.688 ======================= Grid point 552 (207/344) ======================= q-point: ( 0.53 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 7.313 9.503 4.624) 12.852 3.145 ( 18.285 10.190 6.630) 21.958 3.564 ( -1.932 4.696 -8.414) 9.828 4.012 ( 15.864 7.455 -6.375) 18.652 5.380 ( 5.077 14.906 5.821) 16.789 5.949 ( -6.462 5.479 2.131) 8.736 5.996 ( 2.019 -18.176 8.932) 20.353 6.514 ( 2.731 1.267 5.808) 6.542 7.116 ( -5.742 -3.544 -0.742) 6.788 8.572 ( 0.822 5.900 -3.339) 6.829 8.954 ( -7.071 3.313 -2.237) 8.123 9.508 ( -15.531 -6.383 -12.569) 20.975 11.132 ( 1.775 -8.664 -0.031) 8.844 11.787 ( 2.100 -15.920 -6.151) 17.195 11.949 ( -3.828 -4.321 6.122) 8.414 13.481 ( 8.194 5.600 -0.286) 9.928 15.532 ( 2.962 -12.194 0.787) 12.573 15.959 ( -11.958 2.410 2.878) 12.533 ======================= Grid point 553 (208/344) ======================= q-point: ( 0.60 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 8.956 6.845 2.853) 11.628 3.526 ( -3.911 4.635 -5.244) 8.017 3.619 ( 20.757 11.075 2.417) 23.650 4.354 ( 16.133 8.473 -4.861) 18.860 5.581 ( 4.312 4.531 5.031) 8.027 5.878 ( -9.114 5.744 0.688) 10.795 5.907 ( 4.943 -17.557 10.504) 21.048 6.587 ( 1.562 -0.476 5.412) 5.653 6.962 ( -9.976 -1.611 1.703) 10.248 8.641 ( 2.032 5.352 -5.820) 8.164 8.777 ( -11.111 0.171 -8.774) 14.158 9.226 ( -6.885 -3.152 -4.231) 8.675 11.064 ( -2.393 -2.322 2.857) 4.391 11.622 ( -3.508 -12.437 -6.475) 14.454 11.952 ( 4.658 -2.064 5.082) 7.196 13.714 ( 9.341 11.123 -0.701) 14.542 15.444 ( 1.568 -14.027 1.204) 14.166 15.727 ( -14.784 -3.228 1.389) 15.196 ======================= Grid point 554 (209/344) ======================= q-point: ( 0.67 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.295 ( 9.044 4.499 0.068) 10.101 3.472 ( -3.950 2.536 -3.119) 5.636 4.085 ( 16.032 15.379 0.760) 22.229 4.675 ( 10.735 11.634 -4.929) 16.580 5.643 ( 0.917 -4.831 5.759) 7.572 5.753 ( -8.945 1.386 1.420) 9.163 5.887 ( 5.660 -12.840 5.211) 14.969 6.541 ( -7.832 -2.555 -1.456) 8.366 6.764 ( -8.585 -4.076 4.806) 10.650 8.600 ( -0.997 -0.440 -5.791) 5.893 8.758 ( 1.626 9.871 -2.747) 10.374 9.129 ( -0.572 -4.335 -1.643) 4.671 11.049 ( -2.540 2.891 7.385) 8.327 11.405 ( -4.592 -9.075 -7.409) 12.583 12.031 ( 3.026 -0.291 1.739) 3.502 14.015 ( 9.583 16.680 -0.682) 19.249 15.294 ( -9.711 -7.078 2.209) 12.218 15.446 ( -3.306 -16.525 -0.828) 16.873 ======================= Grid point 555 (210/344) ======================= q-point: ( 0.73 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.381 ( -4.410 3.410 -3.003) 6.332 3.512 ( 7.980 1.678 0.470) 8.169 4.433 ( 4.137 16.861 -3.407) 17.692 4.894 ( 0.308 16.277 -5.516) 17.189 5.569 ( -3.552 -5.180 5.595) 8.411 5.639 ( -3.018 -5.998 0.708) 6.751 5.841 ( 1.600 -10.799 -2.840) 11.281 6.310 ( -11.472 -2.930 3.917) 12.471 6.657 ( -0.161 -8.128 4.906) 9.495 8.653 ( 4.886 4.281 -2.287) 6.887 8.899 ( 3.562 7.537 2.233) 8.631 9.092 ( 4.060 -5.582 -4.042) 7.999 10.984 ( -8.082 -4.970 7.258) 11.946 11.351 ( 5.043 4.645 -5.472) 8.772 12.038 ( -2.573 -0.113 -0.176) 2.582 14.339 ( 3.845 21.394 -0.124) 21.738 15.001 ( -13.046 -4.997 0.354) 13.974 15.316 ( 8.934 -22.385 -0.120) 24.102 ======================= Grid point 556 (211/344) ======================= q-point: (-0.20 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( -7.069 3.402 0.407) 7.856 3.658 ( 7.637 0.064 -2.831) 8.145 4.452 ( -17.358 12.680 -6.461) 22.446 5.004 ( -4.530 18.114 -5.404) 19.438 5.520 ( 0.908 -6.089 6.481) 8.939 5.525 ( -4.109 -0.316 -3.022) 5.110 5.731 ( 1.131 -10.989 -3.864) 11.703 6.189 ( -3.543 -2.839 13.952) 14.672 6.612 ( 3.339 -9.140 3.360) 10.295 8.790 ( 4.756 7.179 -2.827) 9.064 8.947 ( 0.597 -5.214 -0.289) 5.256 9.199 ( 10.628 1.194 -3.320) 11.198 10.819 ( -4.338 -6.449 4.457) 8.960 11.543 ( 9.100 8.024 -2.886) 12.471 11.946 ( -6.993 -0.662 0.410) 7.036 14.368 ( -19.112 8.725 -0.199) 21.010 14.976 ( 9.524 6.665 0.572) 11.639 15.293 ( 12.923 -18.486 -0.128) 22.555 ======================= Grid point 557 (212/344) ======================= q-point: (-0.13 0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( -9.100 3.260 2.504) 9.986 3.736 ( 3.713 -2.850 -5.770) 7.430 4.130 ( -26.476 7.168 -2.575) 27.550 5.016 ( -9.822 12.973 -9.682) 18.934 5.460 ( -2.227 -8.976 6.901) 11.539 5.523 ( 2.370 -0.301 3.221) 4.010 5.705 ( 3.916 3.286 -2.010) 5.493 6.187 ( -1.831 -0.233 16.106) 16.211 6.618 ( 5.331 -6.560 1.977) 8.681 8.870 ( -0.264 -8.812 -3.668) 9.549 8.927 ( 2.696 8.452 -1.923) 9.077 9.356 ( 10.592 -4.358 -8.627) 14.339 10.784 ( 3.544 -1.671 4.191) 5.738 11.686 ( 4.926 -10.924 -5.480) 13.177 11.890 ( -1.252 12.967 4.518) 13.788 14.057 ( -18.810 -0.101 -0.846) 18.830 15.173 ( 6.709 -3.052 2.326) 7.729 15.477 ( 17.760 3.704 -0.417) 18.147 ======================= Grid point 566 (213/344) ======================= q-point: ( 0.47 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 0.000 7.407 2.720) 7.891 2.788 ( 0.000 7.913 11.677) 14.106 3.622 ( -0.000 7.914 -2.956) 8.448 3.671 ( -0.000 4.683 -11.349) 12.278 5.296 ( 0.000 19.834 5.186) 20.501 5.870 ( 0.000 -29.525 16.683) 33.912 6.184 ( -0.000 18.117 -4.220) 18.602 6.448 ( -0.000 -2.221 -0.507) 2.278 7.167 ( -0.000 -6.424 -6.171) 8.907 8.584 ( -0.000 6.495 -2.190) 6.854 9.122 ( 0.000 8.583 2.945) 9.075 9.881 ( -0.000 -4.273 -9.703) 10.602 10.930 ( 0.000 -14.798 -2.214) 14.962 11.819 ( -0.000 -17.313 -8.159) 19.139 12.055 ( 0.000 -7.084 6.764) 9.795 13.271 ( 0.000 -0.515 0.860) 1.002 15.474 ( -0.000 -7.459 -1.797) 7.672 16.197 ( 0.000 5.614 5.755) 8.040 ======================= Grid point 567 (214/344) ======================= q-point: ( 0.53 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 6.739 7.286 2.914) 10.343 2.971 ( 9.979 5.467 9.845) 15.046 3.627 ( -2.237 4.343 -6.313) 7.982 3.811 ( 11.473 5.045 -4.335) 13.262 5.485 ( 1.384 9.540 3.820) 10.369 5.681 ( 3.933 -24.081 17.155) 29.827 6.245 ( -8.299 12.251 -3.760) 15.267 6.485 ( 4.034 1.934 1.087) 4.604 7.102 ( 0.044 -3.678 -4.428) 5.756 8.639 ( -0.794 8.189 -4.114) 9.199 9.139 ( -7.375 5.818 0.767) 9.425 9.667 ( -13.618 -5.146 -11.169) 18.349 10.909 ( 10.969 -10.005 -1.594) 14.932 11.609 ( -1.781 -14.894 -5.578) 16.004 11.986 ( -3.050 -5.215 6.884) 9.159 13.357 ( 9.109 1.415 0.373) 9.226 15.398 ( -0.069 -7.728 -1.879) 7.953 16.189 ( -8.040 2.747 5.210) 9.966 ======================= Grid point 568 (215/344) ======================= q-point: ( 0.60 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 6.448 5.451 4.044) 9.362 3.322 ( 20.245 4.465 3.455) 21.018 3.618 ( -1.212 4.735 -1.413) 5.087 4.104 ( 17.590 4.777 -2.176) 18.357 5.496 ( 6.225 -19.590 12.671) 24.147 5.703 ( 2.414 2.558 5.405) 6.448 6.171 ( -10.710 8.634 -2.752) 14.030 6.567 ( 2.242 0.857 1.175) 2.672 7.047 ( -2.644 -1.689 -2.351) 3.920 8.687 ( -1.330 7.235 -4.803) 8.785 8.984 ( -13.399 2.656 -6.476) 15.117 9.351 ( -12.414 -2.473 -4.486) 13.429 11.010 ( 7.357 -2.872 -1.056) 7.968 11.456 ( 1.923 -13.338 -4.842) 14.319 11.923 ( -1.161 -3.116 6.909) 7.668 13.597 ( 14.019 5.804 -0.119) 15.173 15.291 ( -1.390 -10.327 -1.244) 10.494 16.016 ( -15.316 0.328 3.628) 15.743 ======================= Grid point 569 (216/344) ======================= q-point: ( 0.67 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 7.608 2.760 2.682) 8.526 3.529 ( -0.218 2.737 -4.104) 4.937 3.874 ( 21.311 7.798 7.151) 23.793 4.473 ( 19.275 5.365 -0.809) 20.024 5.486 ( 8.826 -16.625 12.146) 22.401 5.750 ( -0.166 -0.462 0.623) 0.793 6.022 ( -13.598 4.925 -2.133) 14.619 6.566 ( -1.241 -2.815 -2.383) 3.892 6.929 ( -9.360 -1.363 -1.657) 9.602 8.639 ( -5.977 0.873 -4.762) 7.692 8.860 ( -2.820 10.118 -5.414) 11.817 9.163 ( -7.587 -2.169 1.128) 7.971 11.107 ( 3.434 4.846 2.413) 6.410 11.319 ( -1.666 -12.834 -6.057) 14.289 11.954 ( 4.751 -1.895 4.355) 6.718 13.938 ( 15.794 10.785 -0.387) 19.129 15.144 ( -1.099 -13.436 -0.500) 13.491 15.707 ( -20.599 -1.520 1.890) 20.741 ======================= Grid point 570 (217/344) ======================= q-point: ( 0.73 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.351 ( 8.152 0.674 0.117) 8.180 3.513 ( -3.604 3.671 -0.064) 5.145 4.342 ( 19.876 7.174 4.625) 21.631 4.844 ( 16.192 6.998 -0.333) 17.642 5.542 ( 7.126 -7.935 7.045) 12.782 5.676 ( -5.130 -4.769 -3.414) 7.792 5.798 ( -12.475 -2.425 0.860) 12.737 6.452 ( -6.360 -3.059 -7.265) 10.129 6.707 ( -11.132 -3.421 0.443) 11.655 8.618 ( 1.969 4.185 0.187) 4.629 8.957 ( 1.554 10.660 -0.443) 10.782 9.028 ( -4.093 -4.747 -0.388) 6.280 11.089 ( -7.886 -9.833 0.066) 12.605 11.274 ( 6.043 7.672 -0.917) 9.809 12.027 ( 3.535 -1.879 0.904) 4.104 14.342 ( 16.379 14.394 -0.397) 21.808 15.004 ( 1.847 -14.981 0.136) 15.095 15.309 ( -23.032 -2.504 0.456) 23.172 ======================= Grid point 571 (218/344) ======================= q-point: (-0.20 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( -1.915 2.584 0.538) 3.261 3.515 ( 4.462 0.344 -0.626) 4.519 4.659 ( 5.859 4.533 1.129) 7.493 5.137 ( 7.378 10.209 -1.390) 12.672 5.495 ( -6.707 -6.141 3.483) 9.738 5.537 ( -5.420 -5.529 -3.271) 8.405 5.634 ( 1.962 -4.155 -0.237) 4.601 6.300 ( -5.508 1.140 -0.714) 5.669 6.537 ( -3.529 -5.982 1.212) 7.050 8.731 ( 4.082 3.309 -0.185) 5.258 8.920 ( -1.686 -3.056 0.069) 3.491 9.111 ( 4.520 6.600 0.004) 8.000 10.865 ( -6.498 -7.590 0.013) 9.992 11.456 ( 5.573 6.185 -0.025) 8.326 12.026 ( -1.424 -1.319 0.018) 1.940 14.692 ( 0.676 0.850 -0.001) 1.086 14.935 ( 3.048 3.452 0.052) 4.606 14.964 ( -3.989 -4.583 -0.050) 6.076 ======================= Grid point 572 (219/344) ======================= q-point: (-0.13 0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -7.177 2.759 3.761) 8.560 3.602 ( 6.031 -1.899 -5.027) 8.078 4.562 ( -17.436 0.154 -2.061) 17.558 5.225 ( -8.436 -5.100 -5.205) 11.147 5.338 ( 3.421 -3.062 4.762) 6.615 5.496 ( 2.826 0.232 1.319) 3.127 5.696 ( 3.932 7.149 -0.722) 8.191 6.308 ( -2.036 5.559 12.190) 13.551 6.476 ( 4.076 -4.585 -3.577) 7.102 8.728 ( 0.890 -8.319 -3.623) 9.117 8.970 ( 2.795 7.682 -0.657) 8.201 9.201 ( 2.348 -1.595 -2.474) 3.765 10.763 ( -0.105 -0.564 2.218) 2.291 11.515 ( 1.038 -7.575 -2.578) 8.069 12.015 ( -0.566 5.241 1.761) 5.558 14.359 ( -19.167 -9.007 -0.558) 21.185 14.976 ( 8.062 -6.777 0.578) 10.548 15.307 ( 15.126 19.009 0.394) 24.296 ======================= Grid point 582 (220/344) ======================= q-point: ( 0.53 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 0.000 3.918 2.085) 4.438 2.997 ( 0.000 4.632 12.588) 13.414 3.666 ( -0.000 1.817 -5.217) 5.524 3.735 ( -0.000 5.371 -2.401) 5.883 5.365 ( 0.000 -26.464 16.404) 31.136 5.671 ( 0.000 9.791 3.641) 10.446 6.412 ( 0.000 -1.317 0.445) 1.390 6.467 ( -0.000 12.719 -5.373) 13.807 7.060 ( -0.000 -1.417 -3.229) 3.526 8.710 ( -0.000 8.056 -6.197) 10.164 9.264 ( -0.000 4.357 0.439) 4.379 9.730 ( -0.000 -2.740 -11.411) 11.736 10.679 ( 0.000 -9.207 -0.486) 9.220 11.483 ( -0.000 -11.263 -5.207) 12.409 11.989 ( 0.000 -4.820 7.914) 9.266 13.268 ( 0.000 -0.266 0.412) 0.490 15.343 ( -0.000 -4.212 -1.805) 4.583 16.296 ( 0.000 0.933 4.600) 4.693 ======================= Grid point 583 (221/344) ======================= q-point: ( 0.60 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 9.265 2.710 1.082) 9.713 3.126 ( 7.279 2.082 12.381) 14.513 3.669 ( -0.698 3.320 -0.856) 3.499 3.878 ( 11.484 3.663 -1.684) 12.171 5.213 ( 4.950 -23.274 16.915) 29.194 5.762 ( -0.174 6.371 0.416) 6.387 6.362 ( -4.994 2.224 -1.007) 5.559 6.557 ( 0.519 5.013 -4.537) 6.781 7.048 ( -0.043 0.104 -1.525) 1.529 8.754 ( -0.608 6.325 -7.326) 9.698 9.204 ( -10.226 1.921 -4.015) 11.153 9.547 ( -12.095 0.163 -6.146) 13.568 10.756 ( 14.544 -4.216 -1.292) 15.198 11.343 ( -2.771 -8.235 -3.802) 9.485 11.951 ( -2.312 -3.560 7.970) 9.030 13.384 ( 12.530 0.981 0.111) 12.569 15.272 ( -3.532 -3.663 -1.129) 5.213 16.237 ( -8.542 -0.621 3.158) 9.129 ======================= Grid point 584 (222/344) ======================= q-point: ( 0.67 0.53 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 6.575 0.182 2.392) 6.999 3.411 ( 17.039 2.153 5.083) 17.911 3.717 ( 3.319 3.051 5.497) 7.110 4.176 ( 18.669 3.378 0.388) 18.976 5.197 ( 9.430 -16.140 14.902) 23.906 5.782 ( -1.700 1.245 -2.077) 2.959 6.257 ( -9.636 2.113 -3.100) 10.341 6.549 ( -1.578 -1.103 -5.651) 5.970 7.026 ( -3.527 0.448 -1.154) 3.738 8.735 ( -4.413 1.484 -7.437) 8.774 9.015 ( -8.550 5.741 -6.811) 12.347 9.353 ( -12.136 2.497 3.679) 12.925 11.006 ( 14.571 2.673 -1.256) 14.868 11.206 ( -2.496 -7.622 -4.858) 9.377 11.915 ( -0.859 -2.556 7.121) 7.614 13.687 ( 19.478 2.695 -0.163) 19.664 15.140 ( -6.868 -3.728 -0.427) 7.826 16.020 ( -16.005 -1.546 1.617) 16.161 ======================= Grid point 585 (223/344) ======================= q-point: (-0.27 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( 7.246 -1.950 1.216) 7.602 3.604 ( 0.023 5.381 1.283) 5.532 3.993 ( 23.158 -2.156 9.405) 25.088 4.563 ( 20.929 3.460 2.450) 21.354 5.308 ( 11.666 -7.966 11.140) 17.990 5.713 ( -4.071 -2.529 -4.586) 6.633 6.041 ( -14.686 -0.936 -3.935) 15.233 6.454 ( -3.049 -3.912 -9.286) 10.528 6.887 ( -11.291 -1.107 -3.682) 11.927 8.663 ( -1.420 3.513 -1.096) 3.945 9.002 ( -0.498 5.155 -4.132) 6.625 9.190 ( -11.804 4.046 6.730) 14.177 11.053 ( -3.687 -9.106 -5.898) 11.459 11.279 ( 8.869 10.585 1.526) 13.893 11.926 ( 3.210 -3.538 3.354) 5.837 14.068 ( 21.635 0.610 -0.234) 21.645 14.989 ( -6.749 -0.233 -0.058) 6.753 15.683 ( -21.278 -1.516 0.422) 21.336 ======================= Grid point 586 (224/344) ======================= q-point: (-0.20 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 7.898 -3.316 -1.409) 8.681 3.621 ( -4.247 5.118 4.066) 7.795 4.383 ( 21.969 -7.821 6.552) 24.222 4.955 ( 18.712 2.955 4.245) 19.414 5.479 ( 7.945 -1.650 4.599) 9.327 5.588 ( -4.585 -1.421 -6.280) 7.905 5.722 ( -16.358 -4.296 -1.354) 16.967 6.329 ( -2.112 -2.305 -12.699) 13.078 6.643 ( -11.904 -1.917 -2.409) 12.296 8.754 ( 2.623 7.301 4.132) 8.790 8.940 ( -5.390 -4.129 0.996) 6.863 9.163 ( -1.936 8.694 3.422) 9.541 10.871 ( -4.747 -7.074 -5.411) 10.092 11.502 ( 1.601 11.020 4.839) 12.141 11.957 ( 4.666 -4.714 -1.642) 6.833 14.365 ( 16.878 -12.727 0.406) 21.142 14.982 ( 1.086 12.770 -0.691) 12.835 15.293 ( -22.310 1.597 -0.079) 22.367 ======================= Grid point 598 (225/344) ======================= q-point: ( 0.60 0.60 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 0.000 0.434 1.625) 1.682 3.128 ( 0.000 -1.513 14.332) 14.411 3.715 ( 0.000 5.024 2.149) 5.464 3.802 ( -0.000 2.748 -1.749) 3.257 5.019 ( 0.000 -17.942 16.564) 24.419 5.808 ( -0.000 2.433 -1.531) 2.875 6.401 ( 0.000 -0.384 1.146) 1.209 6.597 ( -0.000 4.707 -7.502) 8.857 7.052 ( -0.000 1.323 -0.021) 1.323 8.781 ( -0.000 3.838 -9.116) 9.891 9.304 ( -0.000 0.455 -2.144) 2.192 9.649 ( -0.000 3.140 -11.368) 11.793 10.565 ( 0.000 -2.514 1.351) 2.854 11.312 ( -0.000 -3.065 -2.598) 4.018 11.970 ( 0.000 -2.866 8.554) 9.021 13.265 ( 0.000 -0.223 0.024) 0.225 15.285 ( -0.000 -0.780 -0.603) 0.986 16.309 ( 0.000 -1.672 2.120) 2.700 ======================= Grid point 599 (226/344) ======================= q-point: (-0.33 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 9.080 -1.289 0.140) 9.172 3.199 ( 7.788 -4.340 13.710) 16.354 3.765 ( -1.137 4.460 4.220) 6.244 3.941 ( 12.108 3.578 1.525) 12.718 4.981 ( 5.656 -10.139 14.414) 18.508 5.793 ( -0.935 -2.322 -3.260) 4.110 6.370 ( -4.148 -0.280 -0.514) 4.189 6.568 ( -2.983 -0.098 -7.867) 8.414 7.069 ( -0.593 1.795 0.731) 2.026 8.761 ( -1.482 0.504 -9.808) 9.932 9.193 ( -9.377 0.889 -5.431) 10.873 9.586 ( -7.868 6.163 -2.822) 10.385 10.722 ( 16.164 1.272 -0.465) 16.220 11.239 ( -5.603 0.229 -2.931) 6.328 11.956 ( -2.225 -1.568 8.579) 9.001 13.392 ( 14.069 -0.156 -0.117) 14.071 15.238 ( -5.080 0.582 -0.202) 5.117 16.220 ( -8.555 -2.206 1.109) 8.904 ======================= Grid point 600 (227/344) ======================= q-point: (-0.27 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 6.703 -3.845 0.872) 7.777 3.451 ( 20.196 -4.094 8.107) 22.144 3.803 ( 0.373 1.230 6.465) 6.591 4.261 ( 18.496 3.694 5.071) 19.531 5.104 ( 10.044 -1.904 10.889) 14.936 5.709 ( -2.080 -6.058 -4.878) 8.051 6.224 ( -10.517 -2.539 -4.178) 11.598 6.451 ( -4.591 -3.407 -8.889) 10.569 7.029 ( -6.601 0.507 -1.856) 6.876 8.692 ( -1.205 0.078 -6.116) 6.235 9.073 ( -4.414 2.637 -3.611) 6.283 9.490 ( -11.725 8.033 4.834) 15.013 11.006 ( 6.452 -2.926 0.372) 7.094 11.180 ( 5.334 9.537 -7.215) 13.095 11.927 ( -2.967 -0.985 7.773) 8.378 13.688 ( 19.875 -2.345 -0.129) 20.013 15.142 ( -7.319 3.802 -0.369) 8.255 15.990 ( -15.738 -1.861 0.532) 15.856 ======================= Grid point 601 (228/344) ======================= q-point: (-0.20 -0.40 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 7.138 -5.276 -0.052) 8.876 3.723 ( 3.636 3.826 3.042) 6.092 3.906 ( 18.748 -12.613 8.614) 24.183 4.654 ( 20.281 2.240 7.660) 21.795 5.339 ( 11.093 4.690 6.215) 13.552 5.587 ( -1.875 -6.363 -5.766) 8.789 5.940 ( -15.070 -5.600 -5.025) 16.844 6.300 ( -4.057 -3.515 -12.485) 13.590 6.833 ( -12.724 -1.220 -5.045) 13.742 8.744 ( 5.649 4.176 0.565) 7.047 9.012 ( -4.549 -1.379 0.503) 4.780 9.401 ( -11.028 10.360 7.665) 16.962 10.898 ( -6.712 -2.294 -4.580) 8.443 11.524 ( 14.405 13.283 -2.266) 19.726 11.874 ( -3.682 -3.640 4.595) 6.923 13.960 ( 16.851 -9.616 0.382) 19.406 15.114 ( -2.579 10.549 -1.673) 10.988 15.672 ( -19.554 0.985 0.667) 19.590 ======================= Grid point 614 (229/344) ======================= q-point: (-0.33 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 0.000 -3.073 0.962) 3.220 3.122 ( 0.000 -8.539 13.422) 15.908 3.820 ( -0.000 0.021 -1.044) 1.044 3.900 ( 0.000 8.585 10.160) 13.301 4.916 ( 0.000 -2.181 12.223) 12.416 5.742 ( -0.000 -7.056 -4.130) 8.176 6.413 ( 0.000 0.687 1.609) 1.750 6.552 ( -0.000 -3.376 -8.810) 9.434 7.097 ( 0.000 2.526 1.590) 2.985 8.737 ( -0.000 -0.984 -10.497) 10.543 9.259 ( -0.000 -2.889 -3.683) 4.680 9.700 ( -0.000 9.000 -10.271) 13.656 10.596 ( 0.000 4.253 2.351) 4.859 11.321 ( -0.000 5.028 -1.403) 5.221 12.001 ( 0.000 0.085 9.228) 9.229 13.259 ( -0.000 -0.337 -0.206) 0.394 15.296 ( -0.000 1.726 -0.274) 1.748 16.274 ( 0.000 -2.496 0.873) 2.644 ======================= Grid point 615 (230/344) ======================= q-point: (-0.27 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 8.305 -4.785 -0.457) 9.596 3.136 ( 9.197 -10.919 12.119) 18.727 3.829 ( 1.159 -0.545 1.254) 1.792 4.094 ( 8.590 6.792 11.464) 15.853 5.020 ( 5.537 5.676 8.715) 11.783 5.629 ( -0.554 -11.083 -4.739) 12.066 6.347 ( -8.024 -2.333 -2.228) 8.648 6.455 ( -2.641 -4.364 -7.163) 8.794 7.116 ( -2.442 2.328 0.468) 3.406 8.673 ( -0.853 -2.039 -8.838) 9.110 9.154 ( -4.997 -2.126 -3.704) 6.573 9.729 ( -4.608 10.038 -3.937) 11.726 10.794 ( 13.663 5.881 0.453) 14.882 11.309 ( -7.240 8.490 -3.070) 11.573 12.019 ( -2.830 2.035 9.297) 9.929 13.377 ( 13.090 -1.199 -0.159) 13.145 15.277 ( -4.035 3.035 -1.069) 5.161 16.182 ( -8.274 -1.949 1.251) 8.592 ======================= Grid point 616 (231/344) ======================= q-point: (-0.20 -0.33 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( 6.630 -7.115 0.341) 9.731 3.331 ( 21.788 -13.255 6.649) 26.355 3.836 ( -0.361 -1.681 3.397) 3.807 4.397 ( 15.497 3.407 11.877) 19.820 5.259 ( 9.043 11.435 3.926) 15.098 5.488 ( 0.236 -12.416 -4.345) 13.157 6.097 ( -12.593 -7.134 -5.561) 15.505 6.322 ( -5.964 -2.386 -7.725) 10.047 7.010 ( -10.527 -0.443 -4.243) 11.358 8.670 ( 4.920 0.693 -2.353) 5.497 9.060 ( -2.989 -2.127 -0.943) 3.788 9.714 ( -8.845 11.073 3.000) 14.486 10.994 ( -1.532 2.474 -0.526) 2.957 11.370 ( 9.307 13.295 -6.813) 17.601 12.003 ( -6.094 3.386 8.683) 11.135 13.608 ( 15.303 -5.187 0.206) 16.160 15.243 ( -3.207 5.995 -2.983) 7.424 15.978 ( -14.304 0.643 2.265) 14.497 ======================= Grid point 630 (232/344) ======================= q-point: (-0.27 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 0.000 -6.853 -0.051) 6.853 2.984 ( 0.000 -13.729 10.835) 17.490 3.787 ( 0.000 -2.842 -0.396) 2.869 4.147 ( 0.000 5.923 14.838) 15.977 5.088 ( 0.000 12.548 5.127) 13.555 5.485 ( -0.000 -15.120 -3.823) 15.596 6.351 ( -0.000 -10.033 -9.251) 13.647 6.451 ( 0.000 1.797 1.873) 2.596 7.172 ( 0.000 3.929 1.229) 4.117 8.622 ( -0.000 -3.156 -9.222) 9.747 9.142 ( -0.000 -6.042 -3.883) 7.182 9.839 ( -0.000 11.123 -8.907) 14.250 10.760 ( 0.000 10.337 2.321) 10.594 11.475 ( -0.000 11.039 -1.785) 11.182 12.114 ( 0.000 5.062 9.829) 11.055 13.251 ( -0.000 -0.248 -0.220) 0.331 15.327 ( -0.000 1.584 -2.519) 2.976 16.243 ( 0.000 -1.197 2.829) 3.071 ======================= Grid point 631 (233/344) ======================= q-point: (-0.20 -0.27 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 8.260 -8.538 -1.263) 11.946 2.933 ( 8.675 -16.793 8.560) 20.749 3.782 ( 2.933 -4.320 0.319) 5.231 4.285 ( 6.305 0.789 14.546) 15.873 5.268 ( 4.104 4.706 -3.069) 6.958 5.341 ( 1.281 -4.400 1.620) 4.860 6.157 ( -6.395 -10.225 -7.697) 14.307 6.415 ( -6.429 1.522 -0.399) 6.619 7.158 ( -6.962 2.266 -2.391) 7.702 8.582 ( 3.009 -1.875 -4.909) 6.055 9.054 ( -1.010 -5.598 -2.246) 6.116 9.911 ( -1.858 10.823 -4.694) 11.943 10.959 ( 7.702 10.177 0.528) 12.774 11.513 ( -6.911 13.721 -3.144) 15.682 12.177 ( -3.976 7.555 9.269) 12.602 13.349 ( 10.398 -1.426 0.022) 10.496 15.308 ( -1.559 1.144 -4.783) 5.159 16.187 ( -7.436 1.088 4.837) 8.937 ======================= Grid point 646 (234/344) ======================= q-point: (-0.20 -0.20 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 0.000 -11.389 -1.499) 11.487 2.723 ( 0.000 -18.843 6.650) 19.983 3.701 ( 0.000 -5.615 0.134) 5.617 4.244 ( 0.000 -9.059 12.187) 15.185 5.124 ( 0.000 -15.621 0.829) 15.643 5.441 ( -0.000 16.216 -3.129) 16.515 6.090 ( -0.000 -6.820 -6.053) 9.119 6.505 ( 0.000 2.220 1.579) 2.725 7.258 ( -0.000 4.700 -2.809) 5.476 8.510 ( -0.000 -2.455 -4.646) 5.254 8.978 ( -0.000 -7.865 -2.369) 8.214 10.000 ( -0.000 10.045 -6.687) 12.068 11.021 ( -0.000 14.221 1.134) 14.266 11.719 ( -0.000 14.693 -2.192) 14.856 12.340 ( 0.000 10.953 8.666) 13.966 13.250 ( 0.000 0.337 0.095) 0.350 15.291 ( -0.000 -2.507 -6.830) 7.276 16.289 ( 0.000 2.447 7.652) 8.033 ======================= Grid point 727 (235/344) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.000 -0.000 27.654) 27.654 0.935 ( 0.000 -0.000 27.654) 27.654 1.629 ( 0.000 -0.000 50.483) 50.483 3.007 ( -0.000 0.000 -5.247) 5.247 3.007 ( -0.000 0.000 -5.247) 5.247 5.467 ( -0.000 0.000 -14.080) 14.080 6.555 ( 0.000 -0.000 1.516) 1.516 6.555 ( 0.000 -0.000 1.516) 1.516 8.474 ( -0.000 0.000 -3.012) 3.012 8.474 ( -0.000 0.000 -3.012) 3.012 9.733 ( -0.000 0.000 -0.902) 0.902 11.451 ( 0.000 -0.000 4.621) 4.621 12.085 ( 0.000 -0.000 2.122) 2.122 12.085 ( 0.000 -0.000 2.122) 2.122 13.394 ( -0.000 0.000 -1.160) 1.160 13.394 ( -0.000 0.000 -1.160) 1.160 13.483 ( -0.000 0.000 -2.339) 2.339 16.369 ( -0.000 0.000 -0.495) 0.495 ======================= Grid point 728 (236/344) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 10.963 6.329 21.836) 25.240 1.288 ( 10.924 6.307 27.513) 30.267 2.079 ( 25.442 14.689 35.036) 45.723 3.060 ( 4.818 2.782 -4.844) 7.377 3.166 ( 15.577 8.994 -4.155) 18.461 5.410 ( -0.377 -0.218 -14.911) 14.917 6.542 ( -0.698 -0.403 1.099) 1.363 6.579 ( 0.644 0.372 -1.443) 1.623 8.128 ( -26.755 -15.447 -0.211) 30.895 8.542 ( 4.582 2.645 -2.160) 5.715 9.742 ( -2.859 -1.650 1.560) 3.651 10.394 ( -34.670 -20.017 23.651) 46.498 11.990 ( -6.997 -4.040 1.448) 8.208 12.694 ( 6.268 3.619 -16.463) 17.984 13.272 ( -8.990 -5.190 -1.897) 10.552 13.405 ( 0.064 0.037 -0.707) 0.711 14.067 ( 38.169 22.037 -3.026) 44.177 16.401 ( 4.254 2.456 -5.971) 7.732 ======================= Grid point 729 (237/344) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 17.918 10.345 13.635) 24.779 1.640 ( 13.065 7.543 23.696) 28.091 2.875 ( 33.398 19.282 14.130) 41.072 3.182 ( 6.873 3.968 -4.336) 9.044 3.637 ( 24.602 14.204 1.325) 28.439 5.356 ( 0.231 0.133 -13.951) 13.953 6.531 ( -0.466 -0.269 0.361) 0.648 6.576 ( 0.113 0.065 -4.552) 4.554 7.442 ( -29.479 -17.020 4.142) 34.291 8.663 ( 6.249 3.608 -0.684) 7.248 9.541 ( -13.780 -7.956 14.748) 21.695 10.076 ( -6.061 -3.499 -1.002) 7.070 11.784 ( -10.935 -6.313 0.434) 12.634 12.584 ( -8.184 -4.725 -9.993) 13.754 13.004 ( -12.334 -7.121 -3.595) 14.688 13.392 ( -0.999 -0.577 -0.160) 1.165 14.723 ( 18.498 10.680 6.210) 22.245 16.506 ( 6.536 3.774 -10.839) 13.207 ======================= Grid point 730 (238/344) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 17.875 10.320 8.664) 22.385 2.058 ( 17.113 9.880 15.838) 25.324 3.330 ( 7.049 4.070 -3.889) 9.020 3.614 ( 28.130 16.241 -4.491) 32.791 4.256 ( 26.750 15.444 10.245) 32.543 5.331 ( 1.391 0.803 -10.642) 10.763 6.523 ( -0.293 -0.169 -0.509) 0.612 6.538 ( -2.962 -1.710 -4.175) 5.397 6.933 ( -14.442 -8.338 6.951) 18.067 8.813 ( 6.540 3.776 1.160) 7.640 9.283 ( -13.463 -7.773 15.628) 22.044 9.874 ( -10.869 -6.275 -11.847) 17.258 11.507 ( -12.784 -7.381 -0.722) 14.780 12.307 ( -13.108 -7.568 -4.020) 15.660 12.730 ( -9.580 -5.531 -5.342) 12.284 13.361 ( -1.681 -0.971 0.263) 1.959 15.032 ( 7.441 4.296 9.599) 12.883 16.593 ( 3.633 2.097 -9.102) 10.022 ======================= Grid point 731 (239/344) ======================= q-point: ( 0.47 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 14.888 8.596 5.630) 18.090 2.518 ( 18.900 10.912 8.823) 23.540 3.469 ( 5.969 3.446 -3.290) 7.638 4.093 ( 16.470 9.509 -18.089) 26.247 4.887 ( 23.005 13.282 15.049) 30.531 5.357 ( 3.778 2.181 -3.810) 5.792 6.442 ( -3.348 -1.933 5.420) 6.657 6.512 ( -0.385 -0.222 -1.245) 1.322 6.820 ( 0.479 0.276 1.955) 2.032 8.961 ( 5.528 3.192 2.869) 6.999 9.018 ( -13.972 -8.066 10.862) 19.449 9.508 ( -16.095 -9.293 -12.259) 22.264 11.210 ( -12.390 -7.153 -1.762) 14.415 11.988 ( -13.307 -7.683 -1.880) 15.480 12.532 ( -6.390 -3.689 -4.968) 8.895 13.322 ( -1.699 -0.981 0.448) 2.013 15.172 ( 2.797 1.615 7.503) 8.168 16.603 ( -0.415 -0.240 -5.527) 5.547 ======================= Grid point 732 (240/344) ======================= q-point: ( 0.53 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( 10.489 6.056 3.109) 12.505 2.975 ( 19.011 10.976 2.896) 22.142 3.580 ( 4.589 2.649 -2.075) 5.691 4.236 ( 2.804 1.619 -24.014) 24.231 5.310 ( 9.772 5.642 6.941) 13.248 5.571 ( 13.738 7.931 13.098) 20.572 6.421 ( -1.734 -1.001 2.955) 3.569 6.495 ( -0.663 -0.383 -1.654) 1.823 6.886 ( 4.268 2.464 0.037) 4.928 8.712 ( -13.253 -7.651 -1.683) 15.395 9.081 ( 3.811 2.200 3.881) 5.868 9.141 ( -12.928 -7.464 4.013) 15.457 10.941 ( -10.148 -5.859 -2.384) 11.958 11.700 ( -10.917 -6.303 -2.292) 12.813 12.393 ( -4.451 -2.570 -4.353) 6.735 13.290 ( -1.175 -0.678 0.423) 1.421 15.231 ( 0.925 0.534 4.212) 4.346 16.546 ( -3.072 -1.773 -2.826) 4.535 ======================= Grid point 733 (241/344) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 5.380 3.106 0.506) 6.233 3.402 ( 17.975 10.378 -2.813) 20.946 3.669 ( 3.562 2.057 -0.142) 4.116 4.103 ( -6.024 -3.478 -23.112) 24.137 5.503 ( 5.517 3.185 5.667) 8.526 5.878 ( 4.804 2.774 14.300) 15.339 6.318 ( -4.734 -2.733 -9.890) 11.300 6.473 ( -0.720 -0.416 -1.784) 1.968 6.991 ( 4.507 2.602 -0.604) 5.239 8.487 ( -4.536 -2.619 -0.900) 5.314 8.969 ( -5.301 -3.061 18.785) 19.758 9.161 ( 1.932 1.115 4.069) 4.640 10.739 ( -6.546 -3.779 -2.500) 7.961 11.480 ( -7.224 -4.171 -3.297) 8.970 12.291 ( -3.121 -1.802 -4.733) 5.949 13.271 ( -0.589 -0.340 0.305) 0.745 15.255 ( 0.455 0.263 1.596) 1.680 16.456 ( -3.860 -2.229 -1.429) 4.681 ======================= Grid point 734 (242/344) ======================= q-point: ( 0.67 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 0.492 0.284 -1.455) 1.563 3.723 ( 5.085 2.936 -17.204) 18.179 3.742 ( 2.506 1.447 1.548) 3.282 3.890 ( 0.773 0.446 -10.417) 10.455 5.526 ( -6.963 -4.020 -4.519) 9.223 5.792 ( -6.949 -4.012 -3.416) 8.721 6.310 ( 2.874 1.659 4.306) 5.437 6.454 ( -0.253 -0.146 -1.821) 1.845 7.076 ( 3.128 1.806 -1.575) 3.941 8.466 ( 0.095 0.055 7.246) 7.247 9.044 ( 5.403 3.120 24.400) 25.185 9.196 ( -0.110 -0.063 3.834) 3.836 10.633 ( -1.816 -1.048 -2.340) 3.142 11.355 ( -2.434 -1.405 -3.879) 4.790 12.217 ( -1.679 -0.970 -5.910) 6.220 13.262 ( -0.328 -0.189 0.192) 0.425 15.270 ( 0.604 0.349 0.296) 0.758 16.368 ( -3.192 -1.843 -1.201) 3.876 ======================= Grid point 735 (243/344) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( -3.439 -1.986 -1.849) 4.381 3.469 ( -12.227 -7.059 -18.084) 22.943 3.787 ( 0.655 0.378 1.981) 2.121 4.119 ( 12.365 7.139 -9.977) 17.419 5.248 ( -8.308 -4.797 -16.415) 19.012 5.668 ( -6.591 -3.805 1.832) 7.827 6.347 ( -2.543 -1.468 8.997) 9.464 6.452 ( 0.624 0.361 -1.860) 1.995 7.129 ( 2.218 1.281 -1.462) 2.949 8.499 ( -0.216 -0.125 10.824) 10.826 9.179 ( -2.487 -1.436 3.560) 4.574 9.345 ( 12.361 7.137 22.639) 26.763 10.645 ( 3.611 2.085 -2.118) 4.677 11.348 ( 3.020 1.744 -3.320) 4.815 12.180 ( 0.654 0.378 -7.278) 7.317 13.255 ( -0.312 -0.180 0.105) 0.375 15.286 ( 0.647 0.374 0.582) 0.948 16.306 ( -1.640 -0.947 -2.080) 2.813 ======================= Grid point 736 (244/344) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -6.673 -3.853 -0.730) 7.740 3.109 ( -14.388 -8.307 -12.648) 20.880 3.778 ( -1.986 -1.147 1.241) 2.608 4.297 ( 5.919 3.417 -13.913) 15.501 5.160 ( 4.962 2.865 -7.969) 9.815 5.461 ( -11.418 -6.592 0.542) 13.196 6.251 ( -8.136 -4.697 9.507) 13.366 6.470 ( 1.514 0.874 -1.839) 2.537 7.180 ( 2.623 1.514 -0.136) 3.032 8.522 ( -1.091 -0.630 9.590) 9.673 9.105 ( -4.959 -2.863 3.188) 6.554 9.710 ( 12.664 7.312 15.702) 21.457 10.781 ( 8.713 5.031 -1.778) 10.217 11.472 ( 8.379 4.838 -1.026) 9.730 12.209 ( 4.527 2.614 -8.267) 9.781 13.250 ( -0.177 -0.102 0.023) 0.206 15.299 ( -0.142 -0.082 2.729) 2.734 16.280 ( 0.313 0.181 -4.205) 4.220 ======================= Grid point 743 (245/344) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 21.080 21.932) 30.420 1.395 ( 0.000 18.328 20.643) 27.605 2.098 ( 0.000 12.908 38.082) 40.210 2.991 ( -0.000 3.846 -6.374) 7.444 3.209 ( -0.000 21.020 -2.563) 21.176 5.364 ( -0.000 1.084 -16.230) 16.266 6.559 ( -0.000 0.904 -1.548) 1.793 6.582 ( 0.000 0.541 1.384) 1.486 8.348 ( -0.000 -9.494 -4.709) 10.598 8.443 ( -0.000 1.559 -2.676) 3.097 9.735 ( 0.000 -5.238 1.716) 5.512 10.347 ( 0.000 -52.166 24.030) 57.434 12.070 ( 0.000 -5.048 1.859) 5.380 12.622 ( -0.000 7.468 -14.344) 16.172 13.316 ( -0.000 -7.962 -2.002) 8.210 13.354 ( -0.000 -1.787 -1.023) 2.058 14.099 ( -0.000 50.761 -3.876) 50.908 16.317 ( -0.000 -5.357 -3.229) 6.255 ======================= Grid point 744 (246/344) ======================= q-point: ( 0.33 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 1.684 24.903 15.069) 29.156 1.680 ( 4.584 13.343 23.640) 27.530 2.594 ( 23.887 17.879 17.545) 34.613 3.097 ( 7.397 6.180 -6.012) 11.360 3.530 ( 10.698 25.096 2.861) 27.431 5.324 ( -0.499 2.991 -15.574) 15.867 6.556 ( -1.442 0.784 -0.281) 1.665 6.576 ( -0.568 0.555 -2.069) 2.217 7.876 ( -31.431 -10.137 -0.481) 33.029 8.560 ( 7.129 1.162 -2.036) 7.504 9.569 ( -3.055 -24.358 13.985) 28.253 10.077 ( -0.616 -10.249 3.974) 11.010 11.920 ( -9.116 -6.119 1.103) 11.035 12.579 ( -2.288 -5.112 -10.766) 12.136 13.104 ( -10.322 -11.096 -2.262) 15.323 13.357 ( 1.915 -2.727 -0.933) 3.460 14.694 ( 11.291 34.084 2.674) 36.004 16.315 ( 8.507 -5.807 -7.974) 13.026 ======================= Grid point 745 (247/344) ======================= q-point: ( 0.40 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 7.767 20.845 11.386) 24.990 2.010 ( 9.089 14.645 18.400) 25.212 3.191 ( 17.154 8.329 -1.125) 19.102 3.338 ( 17.295 15.308 -6.607) 24.023 4.069 ( 20.088 22.916 11.007) 32.401 5.306 ( -0.248 4.782 -12.862) 13.724 6.507 ( -2.552 -2.362 0.408) 3.501 6.584 ( 0.166 2.977 -3.805) 4.834 7.265 ( -27.927 -5.362 5.797) 29.022 8.694 ( 8.333 -0.360 0.031) 8.341 9.340 ( -3.089 -20.566 13.906) 25.017 9.951 ( -7.689 -3.978 -8.910) 12.423 11.675 ( -12.455 -5.834 0.612) 13.768 12.389 ( -8.056 -8.810 -5.644) 13.205 12.789 ( -9.741 -12.264 -3.813) 16.119 13.355 ( 0.888 -1.781 -0.535) 2.061 15.086 ( 2.490 17.587 10.231) 20.498 16.406 ( 11.058 -5.495 -10.936) 16.495 ======================= Grid point 746 (248/344) ======================= q-point: ( 0.47 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 9.598 19.315 7.134) 22.717 2.390 ( 12.627 13.113 12.428) 22.042 3.405 ( 6.389 6.151 -3.813) 9.654 3.821 ( 20.147 12.472 -15.935) 28.555 4.700 ( 22.428 18.294 15.495) 32.830 5.324 ( 1.036 5.269 -8.016) 9.648 6.449 ( -1.158 -2.603 2.743) 3.955 6.596 ( -2.292 3.964 -2.213) 5.085 6.912 ( -12.201 -0.469 7.738) 14.456 8.821 ( 7.669 -5.434 3.829) 10.148 9.143 ( -4.956 -12.287 7.399) 15.174 9.653 ( -15.089 -6.790 -12.869) 20.962 11.390 ( -14.430 -4.595 0.100) 15.144 12.106 ( -11.684 -9.964 -1.574) 15.436 12.539 ( -4.542 -9.975 -5.140) 12.105 13.351 ( -0.537 0.676 -0.198) 0.886 15.243 ( -2.371 8.655 10.187) 13.576 16.476 ( 7.771 -7.168 -8.603) 13.630 ======================= Grid point 747 (249/344) ======================= q-point: ( 0.53 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.659 ( 5.664 17.428 4.264) 18.815 2.793 ( 16.188 11.020 5.835) 20.434 3.544 ( 4.417 5.872 -3.001) 7.937 4.107 ( 8.594 7.524 -21.854) 24.659 5.231 ( 12.614 11.247 9.891) 19.582 5.445 ( 11.204 6.280 5.204) 13.858 6.439 ( -0.244 -1.298 3.191) 3.454 6.555 ( -5.643 2.447 1.469) 6.324 6.855 ( 1.095 0.835 3.882) 4.119 8.777 ( -5.010 -14.098 4.658) 15.670 9.022 ( -0.883 -2.897 -6.299) 6.989 9.315 ( -10.275 -4.900 0.593) 11.399 11.104 ( -13.732 -2.972 -0.527) 14.060 11.804 ( -11.560 -8.931 -0.893) 14.635 12.384 ( -1.935 -7.398 -4.961) 9.115 13.352 ( -2.034 4.287 -0.007) 4.745 15.277 ( -3.194 3.061 6.788) 8.102 16.470 ( 3.905 -9.059 -5.257) 11.178 ======================= Grid point 748 (250/344) ======================= q-point: ( 0.60 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 1.358 13.700 1.588) 13.858 3.185 ( 16.410 8.688 -0.722) 18.582 3.662 ( 3.456 6.511 -1.463) 7.515 4.127 ( -3.911 5.616 -22.309) 23.335 5.457 ( 6.059 5.261 5.055) 9.484 5.809 ( 13.637 4.495 15.040) 20.793 6.358 ( -7.159 -4.074 -7.572) 11.189 6.478 ( -3.433 -1.310 0.895) 3.782 6.935 ( 4.531 1.062 2.482) 5.274 8.546 ( -6.503 -4.510 -2.212) 8.218 8.929 ( 0.555 -11.736 5.610) 13.020 9.259 ( -1.059 3.711 7.699) 8.612 10.873 ( -10.855 0.249 -0.989) 10.903 11.535 ( -9.083 -8.209 -1.516) 12.336 12.278 ( -1.262 -5.323 -5.210) 7.554 13.366 ( -3.726 8.190 0.097) 8.998 15.259 ( -1.677 -1.004 3.328) 3.859 16.406 ( 1.709 -9.981 -2.879) 10.528 ======================= Grid point 749 (251/344) ======================= q-point: ( 0.67 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -2.940 9.718 -0.898) 10.192 3.489 ( 12.278 2.236 -6.848) 14.235 3.799 ( 4.541 9.516 -2.564) 10.851 3.982 ( -10.956 7.783 -15.951) 20.858 5.576 ( -0.330 0.773 2.392) 2.536 5.878 ( -10.496 -5.870 -4.476) 12.832 6.238 ( 5.863 -1.474 -0.000) 6.046 6.426 ( -0.501 -3.517 1.696) 3.937 7.022 ( 4.039 0.059 0.654) 4.092 8.499 ( 0.033 1.863 5.371) 5.685 8.911 ( 6.937 -9.701 12.625) 17.368 9.323 ( -0.464 5.573 8.322) 10.026 10.739 ( -7.525 5.533 -0.921) 9.385 11.330 ( -3.957 -8.289 -2.193) 9.443 12.194 ( -0.874 -3.842 -6.241) 7.381 13.383 ( -5.627 11.104 0.176) 12.450 15.235 ( 0.909 -3.528 1.000) 3.778 16.322 ( 1.230 -9.884 -1.647) 10.095 ======================= Grid point 750 (252/344) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( -6.249 6.383 -1.705) 9.094 3.525 ( -5.010 -1.367 -15.077) 15.946 3.844 ( -3.357 4.060 -4.394) 6.860 4.024 ( 5.326 15.065 -6.203) 17.140 5.347 ( -14.487 -3.366 -17.163) 22.710 5.721 ( -3.078 -3.577 2.306) 5.253 6.324 ( 4.170 -5.845 5.655) 9.140 6.406 ( 1.113 -3.739 3.960) 5.559 7.078 ( 3.278 -1.371 -0.013) 3.553 8.547 ( -0.178 1.465 9.289) 9.406 9.040 ( 10.012 -6.140 9.628) 15.187 9.426 ( 2.306 7.174 11.599) 13.832 10.718 ( -4.478 11.304 -0.402) 12.165 11.235 ( 3.488 -7.789 -2.125) 8.795 12.132 ( 0.417 -2.740 -7.576) 8.067 13.389 ( -7.180 12.007 0.205) 13.991 15.234 ( 3.150 -4.010 0.239) 5.105 16.248 ( 1.911 -9.113 -1.446) 9.423 ======================= Grid point 751 (253/344) ======================= q-point: (-0.20 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -8.856 4.237 -0.753) 9.846 3.273 ( -15.382 0.109 -13.914) 20.741 3.833 ( -2.393 2.188 0.224) 3.250 4.219 ( 4.702 11.002 -12.313) 17.169 5.134 ( -2.303 4.451 -12.739) 13.689 5.586 ( -8.953 -6.026 3.288) 11.282 6.299 ( -0.962 -9.493 7.214) 11.962 6.400 ( 1.972 -4.633 2.743) 5.734 7.115 ( 3.592 -2.843 0.611) 4.622 8.580 ( -1.162 1.060 8.712) 8.853 9.114 ( 1.544 -4.415 3.964) 6.130 9.648 ( 9.796 6.393 11.598) 16.472 10.798 ( -0.728 13.617 -0.282) 13.640 11.294 ( 10.880 -4.261 -0.163) 11.686 12.113 ( 3.508 -1.509 -8.657) 9.462 13.375 ( -7.559 10.796 0.136) 13.180 15.264 ( 3.682 -2.608 1.375) 4.717 16.201 ( 3.211 -7.892 -2.384) 8.847 ======================= Grid point 759 (254/344) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.000 20.516 20.535) 29.027 1.872 ( 0.000 17.291 12.326) 21.234 2.633 ( 0.000 22.962 12.650) 26.216 3.075 ( -0.000 8.627 -5.732) 10.358 3.728 ( -0.000 28.281 4.527) 28.641 5.323 ( -0.000 6.553 -15.044) 16.409 6.568 ( -0.000 1.451 -3.128) 3.448 6.586 ( 0.000 -0.861 0.170) 0.878 8.059 ( -0.000 -14.157 -10.563) 17.664 8.513 ( -0.000 6.517 -0.098) 6.518 9.315 ( 0.000 -35.861 21.439) 41.781 10.024 ( 0.000 -0.980 0.403) 1.060 11.906 ( 0.000 -11.976 -0.061) 11.976 12.512 ( -0.000 -6.091 -8.714) 10.632 13.060 ( 0.000 -15.632 -3.356) 15.988 13.318 ( 0.000 -1.386 0.135) 1.392 14.989 ( -0.000 37.384 3.094) 37.512 16.126 ( -0.000 -9.804 -5.811) 11.397 ======================= Grid point 760 (255/344) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 1.802 14.617 13.034) 19.667 2.162 ( 3.441 20.033 15.652) 25.654 3.026 ( 13.349 19.505 -1.445) 23.679 3.230 ( 8.868 11.277 -5.628) 15.411 4.106 ( 9.060 26.699 9.287) 29.684 5.349 ( -1.126 10.137 -12.703) 16.291 6.541 ( -2.965 -1.918 -0.194) 3.536 6.579 ( 0.939 0.585 -2.438) 2.677 7.673 ( -21.308 -9.747 -4.185) 23.802 8.587 ( 2.195 2.275 1.478) 3.490 9.120 ( 5.138 -26.309 15.295) 30.863 9.997 ( -3.538 -0.840 -5.841) 6.881 11.739 ( -4.099 -12.103 -0.290) 12.782 12.386 ( -3.790 -7.849 -5.770) 10.453 12.793 ( -8.590 -17.727 -3.267) 19.968 13.317 ( 1.149 -0.849 -0.123) 1.434 15.335 ( -1.091 24.985 9.946) 26.914 16.095 ( 9.925 -9.461 -9.480) 16.670 ======================= Grid point 761 (256/344) ======================= q-point: ( 0.47 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 8.127 13.548 11.045) 19.276 2.488 ( 5.272 20.657 10.606) 23.811 3.326 ( 8.214 8.179 -6.075) 13.087 3.582 ( 17.091 15.077 -11.184) 25.387 4.611 ( 16.108 21.657 13.116) 30.008 5.391 ( -2.445 11.766 -9.351) 15.227 6.468 ( -2.480 -1.930 1.580) 3.517 6.598 ( 2.065 -0.897 -0.608) 2.332 7.243 ( -20.217 -2.278 4.707) 20.883 8.651 ( 5.605 -5.287 3.754) 8.571 9.028 ( 3.004 -14.588 5.470) 15.867 9.796 ( -12.848 -4.793 -12.117) 18.299 11.537 ( -7.741 -8.825 0.719) 11.761 12.185 ( -8.548 -8.502 -1.584) 12.160 12.472 ( -5.437 -16.188 -4.336) 17.619 13.342 ( 1.850 0.975 -0.500) 2.150 15.488 ( -7.356 13.499 12.980) 20.119 16.169 ( 12.424 -10.096 -10.606) 19.203 ======================= Grid point 762 (257/344) ======================= q-point: ( 0.53 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 12.074 11.951 6.417) 18.160 2.810 ( 3.820 21.095 7.151) 22.599 3.491 ( 6.534 4.996 -6.358) 10.396 3.946 ( 13.561 12.195 -14.891) 23.545 5.139 ( 17.439 14.933 13.255) 26.511 5.436 ( -1.495 10.199 -4.430) 11.220 6.441 ( -0.413 -1.811 2.901) 3.444 6.626 ( 1.729 -1.379 3.303) 3.975 6.975 ( -12.462 0.505 7.692) 14.654 8.671 ( 3.158 -10.722 6.008) 12.690 8.963 ( 0.508 -6.137 -6.532) 8.977 9.439 ( -13.848 -6.618 -9.442) 18.020 11.296 ( -11.607 -6.128 1.498) 13.211 11.929 ( -11.643 -6.790 0.459) 13.486 12.280 ( 0.602 -12.003 -4.709) 12.907 13.398 ( 1.850 4.425 -0.595) 4.833 15.470 ( -9.987 6.419 9.911) 15.465 16.214 ( 9.462 -12.975 -7.457) 17.706 ======================= Grid point 763 (258/344) ======================= q-point: ( 0.60 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 13.162 9.066 1.532) 16.055 3.061 ( -0.677 19.102 2.879) 19.329 3.630 ( 6.625 5.455 -5.020) 9.942 4.165 ( 3.446 12.548 -15.619) 20.329 5.468 ( 1.878 8.931 3.241) 9.684 5.633 ( 15.653 5.120 10.437) 19.497 6.385 ( -3.186 -5.966 -1.187) 6.867 6.601 ( -7.371 0.088 3.727) 8.260 6.890 ( 0.287 -1.631 7.292) 7.478 8.586 ( -3.716 -5.562 0.890) 6.748 8.833 ( -1.871 -8.329 -8.403) 11.979 9.267 ( 0.464 -2.800 1.943) 3.439 11.059 ( -10.509 -2.512 1.957) 10.981 11.659 ( -12.902 -5.156 0.264) 13.896 12.192 ( 1.669 -7.783 -4.672) 9.230 13.489 ( 0.817 9.368 -0.488) 9.416 15.362 ( -9.340 0.734 5.787) 11.012 16.189 ( 6.746 -15.350 -4.391) 17.332 ======================= Grid point 764 (259/344) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( -4.531 12.502 -2.165) 13.472 3.310 ( 11.371 6.106 -1.137) 12.957 3.799 ( 5.252 10.244 -5.683) 12.838 4.218 ( -6.792 15.631 -12.388) 21.070 5.580 ( 2.377 3.405 4.437) 6.077 5.910 ( 6.073 -3.540 8.693) 11.179 6.174 ( -7.911 -5.901 -12.744) 16.118 6.458 ( -6.387 -3.242 6.352) 9.573 6.939 ( 4.356 -3.671 4.969) 7.559 8.533 ( -0.051 2.322 2.650) 3.524 8.759 ( 3.905 -7.124 2.588) 8.526 9.310 ( 4.891 -2.287 2.506) 5.952 10.924 ( -6.373 3.719 2.535) 7.802 11.392 ( -11.908 -5.120 0.021) 12.962 12.132 ( 0.464 -4.929 -5.633) 7.500 13.599 ( -2.287 14.770 -0.163) 14.947 15.225 ( -5.379 -4.437 2.438) 7.387 16.124 ( 5.589 -16.237 -2.373) 17.335 ======================= Grid point 765 (260/344) ======================= q-point: ( 0.73 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( -6.343 6.929 -3.032) 9.871 3.509 ( 5.256 5.866 -4.079) 8.870 3.913 ( -2.227 9.869 -11.645) 15.426 4.223 ( -6.995 19.355 -4.847) 21.143 5.534 ( -14.141 -1.645 -11.604) 18.367 5.733 ( -3.744 -4.599 -0.444) 5.947 6.170 ( 7.017 -7.474 3.650) 10.882 6.382 ( -1.232 -5.005 9.215) 10.559 6.983 ( 4.422 -5.739 3.322) 7.971 8.590 ( 0.663 2.185 5.450) 5.909 8.860 ( 9.592 -0.812 6.928) 11.861 9.388 ( 6.609 -3.087 1.779) 7.508 10.939 ( -2.241 11.861 3.554) 12.583 11.163 ( -7.562 -6.259 0.057) 9.816 12.068 ( -0.161 -3.803 -7.004) 7.972 13.683 ( -7.515 18.017 0.220) 19.523 15.130 ( 1.104 -7.160 0.480) 7.260 16.052 ( 5.648 -15.927 -1.300) 16.948 ======================= Grid point 766 (261/344) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -7.657 4.017 -1.836) 8.839 3.538 ( -10.440 11.042 -8.290) 17.310 3.872 ( -2.978 2.822 -7.052) 8.159 4.323 ( -3.138 18.902 -6.910) 20.368 5.240 ( -9.873 4.680 -14.698) 18.314 5.658 ( -4.195 -5.295 4.715) 8.238 6.176 ( 3.413 -11.478 4.836) 12.914 6.354 ( 0.181 -6.718 9.574) 11.697 7.002 ( 4.383 -7.596 3.253) 9.354 8.635 ( -0.080 2.771 4.773) 5.519 9.029 ( 5.954 -0.531 4.635) 7.564 9.512 ( 11.198 -2.516 0.887) 11.512 11.010 ( -5.583 2.723 -0.279) 6.218 11.111 ( 5.773 8.938 5.612) 12.030 12.011 ( 1.387 -3.831 -8.115) 9.081 13.687 ( -11.856 16.126 0.224) 20.017 15.138 ( 6.464 -4.765 0.509) 8.047 15.998 ( 6.413 -14.737 -1.129) 16.112 ======================= Grid point 775 (262/344) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.000 13.696 5.806) 14.876 2.338 ( 0.000 12.768 19.478) 23.290 3.136 ( -0.000 23.941 -6.881) 24.910 3.241 ( -0.000 10.902 -4.032) 11.624 4.328 ( 0.000 26.296 9.305) 27.894 5.448 ( -0.000 15.413 -11.034) 18.956 6.549 ( 0.000 -3.177 -0.273) 3.189 6.551 ( -0.000 -2.272 -0.927) 2.454 7.669 ( -0.000 -15.555 -13.174) 20.384 8.695 ( 0.000 10.451 2.699) 10.794 8.843 ( 0.000 -24.720 18.219) 30.709 10.010 ( -0.000 -0.209 -5.403) 5.407 11.609 ( 0.000 -16.605 -2.037) 16.729 12.323 ( -0.000 -7.799 -4.999) 9.263 12.672 ( 0.000 -20.210 -3.210) 20.463 13.300 ( 0.000 -1.011 1.113) 1.503 15.630 ( 0.000 22.459 10.831) 24.934 15.877 ( -0.000 -9.647 -8.457) 12.829 ======================= Grid point 776 (263/344) ======================= q-point: ( 0.47 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 3.276 12.182 7.617) 14.736 2.586 ( 7.119 12.783 12.920) 19.519 3.314 ( 1.740 13.143 -8.124) 15.549 3.458 ( 10.935 14.554 -7.176) 19.568 4.676 ( 7.172 23.370 10.369) 26.554 5.560 ( -2.911 18.100 -8.963) 20.406 6.484 ( -1.659 -5.077 0.632) 5.379 6.532 ( 1.614 -4.968 2.504) 5.792 7.424 ( -6.911 -10.581 -7.309) 14.599 8.613 ( -4.315 -6.952 9.988) 12.912 8.877 ( 4.209 -1.167 3.519) 5.609 9.905 ( -8.450 -3.337 -9.715) 13.302 11.456 ( 1.903 -15.145 -1.350) 15.323 12.200 ( -3.196 -7.958 -4.290) 9.589 12.392 ( -6.811 -19.576 -0.955) 20.749 13.315 ( 2.108 0.356 0.584) 2.217 15.770 ( -2.488 -0.673 13.937) 14.174 15.871 ( 4.826 5.351 -10.413) 12.664 ======================= Grid point 777 (264/344) ======================= q-point: ( 0.53 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 7.619 11.245 7.076) 15.316 2.916 ( 10.225 15.428 8.473) 20.357 3.419 ( 2.726 6.662 -9.537) 11.949 3.790 ( 14.304 12.469 -7.517) 20.411 5.081 ( 11.396 17.414 9.904) 23.048 5.629 ( -6.160 16.724 -6.669) 19.030 6.412 ( 0.322 -8.974 3.427) 9.612 6.548 ( 4.051 -3.637 6.939) 8.820 7.196 ( -9.509 -4.324 0.235) 10.449 8.556 ( 1.375 -5.511 4.649) 7.340 8.902 ( -0.972 -0.121 -2.081) 2.300 9.593 ( -15.521 -6.510 -12.883) 21.195 11.337 ( -1.797 -11.112 0.247) 11.259 12.028 ( -5.850 -8.175 -3.587) 10.674 12.128 ( -2.324 -14.152 1.252) 14.396 13.386 ( 3.790 3.660 -0.213) 5.273 15.731 ( -4.807 -2.531 9.415) 10.870 15.927 ( 2.733 -2.414 -6.021) 7.039 ======================= Grid point 778 (265/344) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 9.634 9.300 3.813) 13.923 3.258 ( 3.609 18.831 5.626) 19.982 3.504 ( 8.356 2.507 -8.861) 12.435 4.121 ( 11.871 12.674 -7.204) 18.800 5.455 ( 12.252 9.253 8.462) 17.531 5.648 ( -6.125 12.685 -2.870) 14.376 6.326 ( 0.549 -13.368 4.906) 14.251 6.629 ( 3.629 -1.674 7.412) 8.420 7.007 ( -9.907 -1.799 4.036) 10.848 8.561 ( 1.956 -1.748 0.499) 2.671 8.797 ( -6.575 -4.217 -10.515) 13.099 9.279 ( -7.439 -4.194 -4.909) 9.850 11.170 ( -6.364 -6.901 1.839) 9.566 11.810 ( -9.248 -7.403 -1.927) 12.002 12.048 ( 3.694 -7.380 0.029) 8.253 13.518 ( 4.963 8.080 -0.598) 9.502 15.605 ( -11.819 -0.280 7.348) 13.919 15.891 ( 5.125 -13.440 -4.994) 15.226 ======================= Grid point 779 (266/344) ======================= q-point: ( 0.67 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( 9.036 7.030 -1.461) 11.541 3.371 ( -3.719 8.506 0.865) 9.324 3.766 ( 11.280 13.966 -3.826) 18.356 4.378 ( 3.973 15.588 -7.228) 17.636 5.640 ( -2.952 6.066 2.047) 7.050 5.747 ( 10.078 0.156 6.814) 12.166 6.182 ( -3.742 -12.628 -1.292) 13.234 6.600 ( -7.902 -2.654 2.635) 8.742 6.877 ( -2.186 -4.760 6.844) 8.618 8.578 ( -2.066 3.462 -1.172) 4.198 8.644 ( 2.285 -4.045 -5.341) 7.079 9.206 ( 1.930 -3.796 -0.567) 4.296 11.041 ( -4.504 -0.550 3.872) 5.965 11.556 ( -11.037 -6.734 -1.693) 13.040 12.055 ( 2.163 -2.734 -1.810) 3.928 13.712 ( 5.108 13.369 -0.557) 14.322 15.380 ( -14.410 -2.319 4.035) 15.143 15.818 ( 6.968 -18.866 -3.002) 20.335 ======================= Grid point 780 (267/344) ======================= q-point: ( 0.73 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -2.566 4.932 -6.149) 8.290 3.455 ( 6.063 4.943 3.136) 8.428 4.040 ( 2.063 18.730 -7.348) 20.225 4.516 ( -4.633 19.025 -5.688) 20.391 5.639 ( -2.198 -0.041 2.197) 3.108 5.791 ( -7.268 -8.539 -2.014) 11.392 5.998 ( 2.329 -6.568 -4.297) 8.187 6.431 ( -6.593 -5.184 9.130) 12.397 6.852 ( 3.179 -8.568 5.650) 10.744 8.592 ( 2.212 0.952 -0.015) 2.409 8.752 ( 7.391 5.499 3.124) 9.727 9.215 ( 5.337 -6.636 -2.348) 8.834 11.033 ( -1.447 3.324 7.086) 7.960 11.312 ( -9.152 -2.888 -3.076) 10.078 12.036 ( -1.350 -0.914 -3.517) 3.876 13.935 ( 1.220 18.899 -0.099) 18.939 15.124 ( -9.827 -6.565 1.303) 11.890 15.743 ( 8.032 -20.323 -1.420) 21.898 ======================= Grid point 781 (268/344) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -6.076 3.924 -2.436) 7.632 3.616 ( 6.167 3.886 -1.052) 7.364 4.101 ( -12.527 17.183 -11.068) 23.973 4.597 ( -6.303 20.521 -4.084) 21.853 5.441 ( -13.630 2.902 -13.601) 19.472 5.659 ( -0.475 -5.659 5.583) 7.964 5.998 ( 5.259 -12.439 3.778) 14.024 6.341 ( -2.216 -6.213 12.168) 13.841 6.842 ( 4.700 -10.849 4.953) 12.819 8.659 ( 2.502 3.912 -0.154) 4.646 8.955 ( 6.172 3.960 4.725) 8.724 9.254 ( 10.165 -7.478 -5.204) 13.651 10.989 ( -4.052 -7.672 6.179) 10.652 11.291 ( 1.188 14.613 -0.711) 14.678 11.967 ( -3.234 -1.738 -4.465) 5.780 14.065 ( -10.175 19.128 0.292) 21.668 14.988 ( 3.062 -5.928 0.097) 6.673 15.688 ( 9.125 -19.652 -0.540) 21.674 ======================= Grid point 791 (269/344) ======================= q-point: ( 0.47 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 0.000 10.543 2.585) 10.855 2.667 ( 0.000 8.811 15.066) 17.454 3.430 ( -0.000 10.146 -2.948) 10.566 3.452 ( -0.000 14.107 -10.723) 17.720 4.884 ( 0.000 23.168 8.548) 24.695 5.759 ( -0.000 21.195 -8.124) 22.699 6.395 ( 0.000 -15.606 7.716) 17.409 6.494 ( -0.000 -2.553 -0.811) 2.679 7.312 ( -0.000 -10.956 -10.911) 15.463 8.594 ( 0.000 -9.409 7.993) 12.346 8.937 ( 0.000 10.937 3.412) 11.457 9.925 ( -0.000 -3.279 -9.169) 9.738 11.247 ( 0.000 -17.419 -2.614) 17.614 12.103 ( -0.000 -12.403 -8.474) 15.021 12.287 ( 0.000 -15.318 4.642) 16.006 13.290 ( 0.000 -0.911 1.230) 1.531 15.634 ( -0.000 -9.348 -5.173) 10.684 16.048 ( 0.000 12.468 9.344) 15.581 ======================= Grid point 792 (270/344) ======================= q-point: ( 0.53 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 5.536 9.907 4.301) 12.137 2.868 ( 8.640 8.237 9.977) 15.558 3.475 ( -1.892 8.741 -6.714) 11.183 3.657 ( 10.901 9.430 -4.444) 15.084 5.165 ( 4.088 19.576 6.536) 21.039 5.894 ( -5.448 19.656 -7.458) 21.718 6.258 ( 1.877 -21.055 11.399) 24.016 6.491 ( 2.602 -1.262 2.152) 3.605 7.189 ( -0.226 -7.168 -7.505) 10.380 8.543 ( -1.115 -1.614 2.727) 3.359 9.003 ( -4.916 7.865 1.477) 9.392 9.735 ( -12.243 -5.600 -12.222) 18.183 11.147 ( 7.002 -14.190 -1.688) 15.914 11.907 ( -1.642 -16.319 -7.855) 18.185 12.139 ( -5.049 -8.281 7.089) 12.013 13.334 ( 4.955 0.996 0.638) 5.095 15.566 ( 4.110 -9.943 -4.329) 11.597 16.116 ( -7.311 7.445 8.217) 13.282 ======================= Grid point 793 (271/344) ======================= q-point: ( 0.60 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 6.828 8.800 5.578) 12.457 3.204 ( 17.305 8.857 3.587) 19.768 3.491 ( -2.646 6.756 -4.368) 8.469 3.967 ( 15.537 8.538 -2.247) 17.870 5.433 ( 5.594 12.742 4.357) 14.582 5.914 ( -9.033 15.141 -5.681) 18.523 6.131 ( 3.878 -22.876 13.409) 26.799 6.569 ( 4.624 -0.148 4.652) 6.561 7.092 ( -2.856 -4.023 -3.817) 6.238 8.545 ( 0.038 3.249 -1.503) 3.580 8.919 ( -10.940 2.404 -4.663) 12.133 9.395 ( -13.163 -4.517 -8.868) 16.501 11.127 ( 3.072 -8.978 -1.116) 9.554 11.725 ( 1.456 -14.909 -5.308) 15.893 12.018 ( -3.812 -4.183 6.654) 8.735 13.479 ( 7.807 5.599 -0.006) 9.607 15.519 ( 4.536 -12.781 -2.916) 13.872 16.006 ( -13.870 2.742 5.752) 15.264 ======================= Grid point 794 (272/344) ======================= q-point: ( 0.67 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( 7.298 6.750 3.667) 10.596 3.461 ( 0.186 2.238 -6.406) 6.789 3.664 ( 15.572 14.947 5.277) 22.220 4.321 ( 14.945 9.794 -1.481) 17.929 5.625 ( 5.300 3.610 3.202) 7.168 5.858 ( -9.708 9.500 -3.332) 13.985 6.029 ( 3.700 -19.839 11.484) 23.220 6.623 ( 0.849 -3.052 1.593) 3.546 6.965 ( -7.417 -2.842 -1.210) 8.035 8.588 ( 0.756 3.417 -3.983) 5.302 8.693 ( -9.665 2.027 -7.068) 12.144 9.201 ( -5.128 -1.870 -0.948) 5.540 11.083 ( -0.211 -2.050 0.606) 2.148 11.568 ( -2.972 -13.261 -3.692) 14.083 11.999 ( 2.139 -1.243 3.804) 4.538 13.709 ( 9.136 11.161 -0.289) 14.427 15.442 ( 3.664 -15.389 -1.443) 15.885 15.750 ( -17.295 -2.065 2.998) 17.674 ======================= Grid point 795 (273/344) ======================= q-point: ( 0.73 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.293 ( 5.637 5.394 -0.214) 7.805 3.452 ( -0.947 2.075 -0.888) 2.448 4.092 ( 12.641 17.383 0.433) 21.497 4.640 ( 8.818 13.123 -1.790) 15.911 5.693 ( 0.293 -3.472 3.190) 4.724 5.757 ( -5.267 -1.229 -0.418) 5.425 5.925 ( -0.904 -11.378 1.991) 11.587 6.524 ( -6.548 -5.551 -1.155) 8.662 6.800 ( -5.258 -5.626 1.838) 7.917 8.558 ( 0.608 0.932 -2.075) 2.355 8.739 ( 3.772 9.800 -0.926) 10.542 9.118 ( -1.598 -4.332 -0.550) 4.650 11.114 ( 0.811 5.163 4.163) 6.682 11.340 ( -6.013 -12.147 -4.164) 14.179 12.043 ( 1.306 0.500 0.597) 1.521 14.010 ( 9.629 16.704 -0.241) 19.283 15.310 ( -7.631 -9.146 0.848) 11.941 15.440 ( -5.812 -14.512 -0.365) 15.636 ======================= Grid point 796 (274/344) ======================= q-point: ( 0.80 0.47 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.358 ( -3.669 5.554 -1.407) 6.804 3.514 ( 6.441 0.306 -0.035) 6.449 4.391 ( -0.161 19.090 -4.576) 19.632 4.853 ( -0.570 16.976 -2.299) 17.141 5.606 ( -5.498 -2.224 -3.162) 6.721 5.635 ( -4.108 -7.000 3.061) 8.674 5.811 ( 0.951 -10.333 -1.994) 10.567 6.373 ( -3.636 -6.196 7.486) 10.375 6.696 ( 0.523 -9.382 2.502) 9.724 8.630 ( 4.218 4.402 -1.936) 6.397 8.932 ( 5.518 8.310 3.529) 10.581 9.050 ( 2.079 -6.711 -3.737) 7.957 11.054 ( -8.775 -8.882 5.870) 13.797 11.297 ( 6.944 7.341 -4.548) 11.081 12.034 ( -3.342 0.964 -0.467) 3.509 14.339 ( 4.167 21.409 0.151) 21.811 15.004 ( -13.594 -5.494 0.112) 14.662 15.313 ( 9.100 -21.820 -0.312) 23.644 ======================= Grid point 807 (275/344) ======================= q-point: ( 0.53 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 0.000 7.425 1.826) 7.647 2.918 ( 0.000 7.456 12.410) 14.477 3.583 ( -0.000 5.536 -4.772) 7.309 3.592 ( -0.000 7.992 -2.580) 8.398 5.342 ( -0.000 17.810 3.640) 18.178 6.046 ( 0.000 -26.545 16.840) 31.436 6.120 ( -0.000 19.384 -7.998) 20.970 6.446 ( 0.000 -1.917 0.174) 1.925 7.098 ( -0.000 -4.420 -6.986) 8.267 8.561 ( -0.000 2.921 -1.877) 3.472 9.146 ( -0.000 7.849 1.574) 8.005 9.764 ( -0.000 -4.696 -12.844) 13.675 10.911 ( 0.000 -14.259 -1.408) 14.328 11.738 ( -0.000 -15.778 -6.735) 17.155 12.134 ( 0.000 -7.054 7.900) 10.591 13.280 ( 0.000 -0.738 0.781) 1.075 15.441 ( -0.000 -6.526 -4.254) 7.791 16.271 ( 0.000 4.266 8.002) 9.068 ======================= Grid point 808 (276/344) ======================= q-point: ( 0.60 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 8.417 6.404 2.802) 10.941 3.077 ( 6.195 6.550 9.664) 13.216 3.582 ( -1.757 5.301 -1.470) 5.774 3.782 ( 11.973 5.438 -1.146) 13.200 5.513 ( 1.439 10.934 1.566) 11.139 5.869 ( 3.200 -25.710 18.672) 31.936 6.190 ( -7.664 14.150 -6.861) 17.494 6.492 ( 5.168 0.273 0.339) 5.186 7.054 ( 0.417 -2.016 -4.752) 5.179 8.590 ( -0.409 6.037 -4.930) 7.805 9.133 ( -9.369 4.389 -2.056) 10.548 9.550 ( -11.986 -3.528 -11.156) 16.750 10.892 ( 10.494 -9.918 -1.653) 14.534 11.555 ( -1.128 -13.886 -4.271) 14.571 12.066 ( -3.453 -5.067 7.982) 10.065 13.361 ( 8.882 1.272 0.358) 8.980 15.371 ( 0.166 -6.795 -3.178) 7.503 16.249 ( -8.478 1.318 6.118) 10.538 ======================= Grid point 809 (277/344) ======================= q-point: ( 0.67 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 6.903 4.461 5.455) 9.864 3.338 ( 12.840 5.576 -0.611) 14.012 3.642 ( 3.275 6.717 5.901) 9.522 4.095 ( 17.884 4.986 0.673) 18.578 5.596 ( 3.148 -4.448 5.238) 7.558 5.791 ( 3.937 -13.910 12.359) 19.019 6.130 ( -10.216 9.493 -4.890) 14.778 6.561 ( 2.784 -1.886 -2.318) 4.084 7.018 ( -2.359 -0.631 -3.081) 3.931 8.628 ( -0.567 6.226 -5.992) 8.660 8.903 ( -14.803 1.782 -8.723) 17.274 9.328 ( -9.628 0.794 -0.592) 9.678 10.990 ( 8.239 -2.949 -2.780) 9.182 11.414 ( 1.478 -13.190 -2.968) 13.600 11.997 ( -2.100 -3.042 7.156) 8.054 13.597 ( 13.837 5.742 0.016) 14.981 15.274 ( -1.129 -9.516 -2.024) 9.794 16.056 ( -15.889 -0.879 3.843) 16.370 ======================= Grid point 810 (278/344) ======================= q-point: ( 0.73 0.53 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 6.441 1.717 4.454) 8.017 3.490 ( 0.778 5.190 -3.505) 6.311 3.957 ( 18.423 8.997 8.339) 22.133 4.477 ( 19.012 5.863 1.888) 19.985 5.607 ( 5.054 -11.153 9.218) 15.326 5.757 ( -0.049 -7.453 1.701) 7.644 5.996 ( -11.591 4.109 -2.384) 12.527 6.517 ( -1.748 -5.399 -6.887) 8.924 6.901 ( -8.924 -1.668 -3.772) 9.831 8.601 ( -3.670 2.066 -2.210) 4.756 8.801 ( -0.720 10.399 -5.657) 11.860 9.186 ( -8.416 -0.244 2.917) 8.910 11.098 ( 5.233 3.584 -4.445) 7.745 11.289 ( -1.368 -11.830 0.460) 11.918 11.997 ( 2.483 -2.066 3.948) 5.101 13.935 ( 15.707 10.721 -0.149) 19.018 15.137 ( -0.867 -12.779 -0.988) 12.846 15.726 ( -21.128 -2.391 1.813) 21.340 ======================= Grid point 823 (279/344) ======================= q-point: ( 0.60 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 0.000 3.892 1.902) 4.332 3.144 ( 0.000 5.553 14.868) 15.871 3.642 ( 0.000 2.594 0.964) 2.768 3.710 ( -0.000 5.585 -2.354) 6.061 5.521 ( 0.000 -15.133 11.255) 18.859 5.728 ( 0.000 -3.059 9.215) 9.709 6.390 ( -0.000 13.102 -9.223) 16.022 6.421 ( 0.000 -1.129 1.127) 1.595 7.029 ( -0.000 0.361 -2.606) 2.631 8.635 ( -0.000 6.656 -7.918) 10.344 9.260 ( -0.000 3.501 -1.342) 3.749 9.589 ( -0.000 -2.063 -15.926) 16.059 10.680 ( 0.000 -8.551 0.684) 8.578 11.440 ( -0.000 -10.331 -2.675) 10.672 12.077 ( 0.000 -4.741 8.522) 9.752 13.272 ( 0.000 -0.451 0.269) 0.525 15.321 ( -0.000 -3.227 -2.266) 3.943 16.346 ( 0.000 -0.640 4.842) 4.884 ======================= Grid point 824 (280/344) ======================= q-point: ( 0.67 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 9.534 1.923 1.748) 9.881 3.265 ( 3.734 3.450 13.883) 14.785 3.682 ( 0.575 4.511 3.722) 5.876 3.866 ( 12.410 3.858 -0.563) 13.008 5.400 ( 4.232 -22.531 18.244) 29.299 5.764 ( -0.202 3.057 0.432) 3.094 6.341 ( -6.918 4.682 -3.524) 9.066 6.501 ( 2.042 2.296 -5.721) 6.494 7.035 ( -0.189 1.531 -0.915) 1.794 8.666 ( -0.043 5.364 -9.262) 10.703 9.140 ( -13.486 1.256 -8.216) 15.842 9.483 ( -5.490 2.608 -6.507) 8.904 10.743 ( 12.868 -3.936 -1.154) 13.506 11.315 ( -3.118 -8.049 -1.500) 8.761 12.038 ( -2.632 -3.490 8.451) 9.515 13.384 ( 12.450 0.859 0.031) 12.480 15.259 ( -3.466 -2.840 -1.280) 4.660 16.270 ( -8.768 -1.965 3.135) 9.516 ======================= Grid point 825 (281/344) ======================= q-point: (-0.27 -0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 7.681 -1.210 3.113) 8.376 3.463 ( 9.177 4.938 4.762) 11.457 3.798 ( 7.541 2.797 9.915) 12.767 4.188 ( 19.304 4.139 2.048) 19.849 5.369 ( 8.144 -17.646 17.659) 26.260 5.754 ( -2.088 -0.594 -3.078) 3.767 6.216 ( -10.414 2.424 -4.580) 11.632 6.475 ( -1.969 -2.540 -8.371) 8.967 7.010 ( -5.039 0.812 -2.001) 5.483 8.656 ( -1.860 1.481 -7.265) 7.644 8.938 ( -7.490 7.359 -7.743) 13.047 9.386 ( -9.484 3.990 2.075) 10.497 10.979 ( 14.041 3.965 -3.728) 15.059 11.171 ( -2.474 -9.222 -1.834) 9.723 11.992 ( -2.148 -2.494 7.561) 8.246 13.685 ( 19.393 2.624 -0.198) 19.571 15.135 ( -6.782 -3.198 -0.491) 7.514 16.037 ( -16.308 -2.470 1.593) 16.571 ======================= Grid point 839 (282/344) ======================= q-point: (-0.33 -0.33 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 0.000 0.153 1.894) 1.900 3.304 ( 0.000 -2.800 19.154) 19.358 3.750 ( 0.000 7.799 4.549) 9.029 3.782 ( -0.000 3.131 -2.031) 3.732 5.212 ( 0.000 -19.968 19.986) 28.252 5.787 ( -0.000 0.886 -2.226) 2.396 6.416 ( 0.000 -0.322 1.662) 1.693 6.503 ( -0.000 5.031 -10.266) 11.432 7.055 ( -0.000 2.338 0.503) 2.391 8.674 ( -0.000 3.363 -11.094) 11.593 9.275 ( -0.000 -0.023 -3.367) 3.367 9.499 ( -0.000 5.290 -17.499) 18.281 10.583 ( 0.000 -2.166 2.122) 3.032 11.300 ( 0.000 -2.948 0.348) 2.969 12.061 ( 0.000 -2.756 8.748) 9.172 13.265 ( 0.000 -0.335 -0.063) 0.341 15.279 ( -0.000 -0.212 -0.587) 0.624 16.332 ( 0.000 -2.764 2.158) 3.507 ======================= Grid point 840 (283/344) ======================= q-point: (-0.27 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 8.735 -1.957 1.240) 9.037 3.357 ( 5.551 -5.476 16.351) 18.115 3.806 ( 0.591 3.376 3.630) 4.992 3.969 ( 11.884 7.531 4.096) 14.654 5.155 ( 5.123 -13.568 18.568) 23.561 5.755 ( -1.228 -3.271 -3.789) 5.154 6.360 ( -6.552 -0.011 -1.615) 6.748 6.478 ( -2.433 -0.226 -8.878) 9.208 7.075 ( -1.367 2.143 0.512) 2.593 8.653 ( -0.492 0.688 -10.689) 10.722 9.127 ( -10.412 2.759 -7.360) 13.046 9.531 ( -1.001 6.910 -7.966) 10.593 10.718 ( 14.233 1.715 -0.302) 14.339 11.223 ( -7.060 -0.468 -0.098) 7.076 12.047 ( -2.497 -1.393 8.695) 9.153 13.391 ( 14.039 -0.202 -0.170) 14.042 15.236 ( -5.061 0.719 -0.244) 5.118 16.233 ( -8.693 -2.800 1.402) 9.240 ======================= Grid point 855 (284/344) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 0.000 -3.637 1.516) 3.940 3.283 ( 0.000 -11.287 17.177) 20.553 3.806 ( -0.000 0.517 -1.634) 1.714 4.010 ( 0.000 11.615 10.749) 15.826 5.069 ( 0.000 -6.797 16.861) 18.180 5.699 ( -0.000 -7.536 -3.862) 8.468 6.432 ( 0.000 0.722 1.897) 2.030 6.451 ( -0.000 -3.007 -10.423) 10.848 7.114 ( 0.000 2.738 1.544) 3.143 8.619 ( -0.000 -0.370 -11.827) 11.833 9.219 ( -0.000 -3.015 -3.952) 4.971 9.556 ( -0.000 11.979 -17.424) 21.145 10.621 ( 0.000 4.305 2.437) 4.947 11.322 ( 0.000 4.177 1.477) 4.431 12.096 ( 0.000 0.400 8.852) 8.861 13.257 ( -0.000 -0.382 -0.170) 0.418 15.292 ( -0.000 1.322 -0.482) 1.407 16.287 ( 0.000 -2.469 1.628) 2.957 ======================= Grid point 968 (285/344) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 -0.000 24.671) 24.671 1.207 ( 0.000 -0.000 24.671) 24.671 2.139 ( 0.000 -0.000 47.777) 47.777 2.946 ( -0.000 0.000 -6.525) 6.525 2.946 ( -0.000 0.000 -6.525) 6.525 5.296 ( -0.000 0.000 -18.878) 18.878 6.572 ( 0.000 -0.000 1.645) 1.645 6.572 ( 0.000 -0.000 1.645) 1.645 8.442 ( -0.000 0.000 -3.199) 3.199 8.442 ( -0.000 0.000 -3.199) 3.199 9.729 ( 0.000 -0.000 0.049) 0.049 11.497 ( 0.000 -0.000 4.246) 4.246 12.108 ( 0.000 -0.000 2.245) 2.245 12.108 ( 0.000 -0.000 2.245) 2.245 13.382 ( -0.000 0.000 -1.251) 1.251 13.382 ( -0.000 0.000 -1.251) 1.251 13.458 ( -0.000 0.000 -2.430) 2.430 16.363 ( -0.000 0.000 -0.528) 0.528 ======================= Grid point 969 (286/344) ======================= q-point: ( 0.33 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 7.571 4.371 21.405) 23.122 1.556 ( 12.528 7.233 23.856) 27.899 2.419 ( 13.965 8.063 28.826) 33.030 3.003 ( 5.276 3.046 -6.026) 8.569 3.143 ( 18.349 10.594 1.162) 21.220 5.233 ( 0.448 0.258 -19.110) 19.117 6.555 ( -0.990 -0.571 1.409) 1.814 6.575 ( -0.852 -0.492 0.298) 1.028 8.126 ( -24.159 -13.948 -0.021) 27.896 8.515 ( 5.125 2.959 -2.903) 6.592 9.751 ( 0.149 0.086 0.571) 0.596 10.600 ( -37.857 -21.857 16.281) 46.647 12.009 ( -7.394 -4.269 2.049) 8.780 12.553 ( 6.142 3.546 -11.066) 13.144 13.256 ( -9.323 -5.383 -1.214) 10.834 13.395 ( 0.317 0.183 -1.102) 1.161 14.043 ( 39.708 22.925 -1.816) 45.887 16.352 ( 0.711 0.411 -3.808) 3.896 ======================= Grid point 970 (287/344) ======================= q-point: ( 0.40 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 14.845 8.571 14.855) 22.683 1.890 ( 10.443 6.029 24.131) 26.976 2.951 ( 25.703 14.840 0.073) 29.679 3.132 ( 7.315 4.223 -5.184) 9.911 3.710 ( 27.091 15.641 12.906) 33.839 5.195 ( 1.889 1.091 -16.992) 17.131 6.537 ( -0.906 -0.523 0.750) 1.287 6.548 ( -1.124 -0.649 -1.360) 1.880 7.494 ( -27.782 -16.040 5.826) 32.605 8.650 ( 7.141 4.123 -1.838) 8.448 9.669 ( -9.027 -5.212 9.899) 14.374 10.067 ( -14.906 -8.606 -0.851) 17.232 11.794 ( -11.534 -6.659 1.370) 13.388 12.487 ( -5.936 -3.427 -8.454) 10.884 12.978 ( -13.348 -7.707 -1.593) 15.495 13.388 ( -0.701 -0.404 -0.721) 1.084 14.787 ( 22.272 12.858 6.093) 26.429 16.395 ( 5.085 2.936 -10.286) 11.844 ======================= Grid point 971 (288/344) ======================= q-point: ( 0.47 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 15.869 9.162 9.594) 20.684 2.235 ( 13.375 7.722 18.007) 23.723 3.288 ( 7.442 4.296 -4.190) 9.560 3.506 ( 23.501 13.569 -14.915) 30.966 4.406 ( 27.827 16.066 17.052) 36.376 5.211 ( 4.086 2.359 -12.207) 13.087 6.517 ( -1.311 -0.757 -0.314) 1.546 6.519 ( -0.757 -0.437 -0.160) 0.889 7.016 ( -14.885 -8.594 9.005) 19.404 8.819 ( 7.598 4.386 -0.164) 8.774 9.436 ( -14.651 -8.459 13.391) 21.576 9.747 ( -12.348 -7.129 -12.171) 18.747 11.505 ( -13.471 -7.778 0.345) 15.559 12.265 ( -11.221 -6.479 -3.893) 13.529 12.686 ( -10.500 -6.062 -3.279) 12.560 13.360 ( -1.441 -0.832 -0.321) 1.695 15.138 ( 7.303 4.217 10.731) 13.648 16.485 ( 5.205 3.005 -11.623) 13.084 ======================= Grid point 972 (289/344) ======================= q-point: ( 0.53 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 13.482 7.784 5.678) 16.571 2.619 ( 15.511 8.955 10.587) 20.806 3.436 ( 6.450 3.724 -2.887) 7.988 3.880 ( 13.903 8.027 -22.108) 27.322 5.037 ( 20.253 11.693 11.839) 26.212 5.330 ( 10.313 5.954 0.029) 11.909 6.491 ( -1.598 -0.922 3.799) 4.223 6.500 ( -0.725 -0.419 -1.039) 1.335 6.864 ( -1.965 -1.135 6.414) 6.804 8.985 ( 6.436 3.716 1.698) 7.623 9.065 ( -18.777 -10.841 -3.683) 21.992 9.449 ( -11.206 -6.470 2.945) 13.270 11.196 ( -12.994 -7.502 -0.826) 15.027 11.969 ( -13.114 -7.571 -1.495) 15.216 12.482 ( -6.415 -3.704 -4.592) 8.716 13.324 ( -1.565 -0.904 -0.041) 1.808 15.257 ( 1.109 0.640 8.721) 8.815 16.530 ( 1.608 0.928 -8.555) 8.755 ======================= Grid point 973 (290/344) ======================= q-point: ( 0.60 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 9.287 5.362 2.309) 10.970 3.008 ( 16.026 9.253 3.294) 18.796 3.564 ( 5.287 3.052 -1.027) 6.190 3.982 ( 2.491 1.438 -24.386) 24.555 5.360 ( 9.553 5.516 2.980) 11.427 5.723 ( 16.756 9.674 15.582) 24.842 6.415 ( -6.742 -3.892 -4.036) 8.769 6.478 ( -0.814 -0.470 -1.623) 1.875 6.908 ( 3.063 1.768 3.799) 5.191 8.651 ( -12.742 -7.356 -7.706) 16.609 9.118 ( 4.298 2.481 3.143) 5.874 9.257 ( -8.467 -4.888 15.935) 18.695 10.919 ( -10.492 -6.057 -1.806) 12.249 11.678 ( -11.410 -6.588 -1.779) 13.295 12.343 ( -4.462 -2.576 -5.275) 7.374 13.292 ( -1.130 -0.652 0.088) 1.308 15.280 ( -0.705 -0.407 5.037) 5.102 16.503 ( -1.606 -0.927 -5.292) 5.607 ======================= Grid point 974 (291/344) ======================= q-point: ( 0.67 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( 4.444 2.566 -0.486) 5.155 3.363 ( 14.566 8.409 -5.144) 17.588 3.673 ( 4.254 2.456 0.961) 5.005 3.872 ( -3.934 -2.271 -20.522) 21.018 5.553 ( 4.875 2.815 3.769) 6.775 5.978 ( -7.723 -4.459 0.640) 8.941 6.225 ( 2.943 1.699 -3.221) 4.682 6.453 ( -0.747 -0.431 -1.861) 2.051 6.993 ( 3.364 1.942 0.800) 3.966 8.499 ( -0.504 -0.291 3.436) 3.485 9.184 ( -2.976 -1.718 21.605) 21.877 9.202 ( 2.018 1.165 3.819) 4.473 10.713 ( -6.618 -3.821 -2.324) 7.987 11.448 ( -7.695 -4.443 -2.690) 9.283 12.234 ( -3.367 -1.944 -6.304) 7.406 13.273 ( -0.586 -0.339 0.123) 0.688 15.274 ( -0.604 -0.349 2.071) 2.186 16.432 ( -3.049 -1.760 -3.050) 4.658 ======================= Grid point 975 (292/344) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 0.161 0.093 -1.848) 1.858 3.516 ( -1.865 -1.077 -21.137) 21.246 3.761 ( 2.768 1.598 1.974) 3.757 3.807 ( 7.233 4.176 -6.449) 10.552 5.411 ( -15.366 -8.872 -16.941) 24.532 5.771 ( -1.922 -1.110 0.267) 2.236 6.393 ( 4.430 2.558 10.341) 11.537 6.435 ( -0.250 -0.144 -1.903) 1.925 7.062 ( 2.687 1.551 -1.026) 3.268 8.560 ( 1.869 1.079 10.455) 10.675 9.237 ( -0.190 -0.110 3.949) 3.955 9.290 ( 5.542 3.200 22.423) 23.318 10.607 ( -1.756 -1.014 -2.452) 3.182 11.318 ( -2.512 -1.450 -2.902) 4.102 12.147 ( -2.047 -1.182 -7.625) 7.983 13.264 ( -0.338 -0.195 0.140) 0.414 15.274 ( 0.262 0.151 0.473) 0.561 16.353 ( -3.003 -1.734 -1.829) 3.920 ======================= Grid point 984 (293/344) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 18.787 21.514) 28.562 1.593 ( 0.000 14.937 17.159) 22.749 2.455 ( 0.000 3.027 28.934) 29.092 2.923 ( -0.000 4.117 -6.677) 7.844 3.206 ( -0.000 24.410 3.467) 24.655 5.175 ( -0.000 2.372 -20.110) 20.249 6.554 ( 0.000 -1.120 0.317) 1.164 6.595 ( 0.000 0.155 1.002) 1.014 8.299 ( -0.000 -11.750 -4.662) 12.641 8.420 ( -0.000 2.340 -1.752) 2.923 9.746 ( 0.000 -1.062 0.825) 1.345 10.559 ( 0.000 -52.300 17.075) 55.017 12.086 ( 0.000 -5.642 1.105) 5.749 12.501 ( -0.000 7.004 -9.303) 11.645 13.296 ( -0.000 -8.580 -1.918) 8.792 13.346 ( -0.000 -1.413 -0.547) 1.515 14.066 ( -0.000 50.692 -2.630) 50.760 16.293 ( -0.000 -6.923 -1.574) 7.100 ======================= Grid point 985 (294/344) ======================= q-point: ( 0.40 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.405 20.991 14.515) 25.524 1.917 ( 6.849 12.321 21.849) 26.002 2.716 ( 15.575 11.022 5.171) 19.769 3.036 ( 7.553 6.232 -5.587) 11.274 3.608 ( 13.439 26.157 12.406) 31.917 5.145 ( 0.304 4.935 -18.552) 19.199 6.547 ( 0.026 0.126 -0.611) 0.624 6.572 ( -2.352 -0.756 0.222) 2.481 7.874 ( -26.322 -11.805 0.046) 28.848 8.537 ( 7.307 2.015 -2.276) 7.914 9.681 ( -1.742 -14.319 7.904) 16.448 10.126 ( -7.185 -21.439 5.206) 23.202 11.930 ( -8.809 -6.812 0.905) 11.172 12.481 ( -1.707 -3.680 -8.086) 9.046 13.086 ( -10.181 -11.848 -1.268) 15.673 13.347 ( 1.803 -2.421 -0.896) 3.149 14.717 ( 15.134 37.633 1.758) 40.600 16.246 ( 5.052 -7.308 -5.379) 10.385 ======================= Grid point 986 (295/344) ======================= q-point: ( 0.47 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 6.712 19.464 10.005) 22.891 2.215 ( 7.107 10.847 20.583) 24.328 3.144 ( 16.752 8.510 -8.465) 20.609 3.254 ( 12.960 12.877 -8.352) 20.088 4.218 ( 21.871 22.354 16.618) 35.415 5.161 ( 1.401 7.067 -14.616) 16.295 6.513 ( -2.305 -2.037 0.629) 3.140 6.558 ( 0.130 2.220 -1.549) 2.710 7.331 ( -24.649 -5.914 6.894) 26.269 8.687 ( 9.133 0.869 -1.331) 9.270 9.482 ( -3.655 -22.005 13.281) 25.961 9.851 ( -11.128 -5.798 -10.397) 16.295 11.683 ( -12.549 -6.045 1.058) 13.969 12.333 ( -6.432 -6.936 -4.883) 10.645 12.760 ( -10.660 -13.331 -1.777) 17.161 13.349 ( 1.098 -1.719 -0.787) 2.186 15.192 ( 4.088 19.489 10.077) 22.318 16.290 ( 10.154 -5.356 -11.249) 16.073 ======================= Grid point 987 (296/344) ======================= q-point: ( 0.53 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 8.204 17.822 6.156) 20.563 2.531 ( 9.985 10.558 14.382) 20.446 3.361 ( 7.392 5.688 -4.825) 10.501 3.641 ( 16.621 12.619 -17.822) 27.443 4.861 ( 21.785 17.340 14.434) 31.363 5.242 ( 4.930 7.418 -6.992) 11.323 6.474 ( -0.452 -1.556 1.978) 2.557 6.580 ( -1.095 4.086 -0.861) 4.317 7.002 ( -13.065 -0.867 9.540) 16.201 8.847 ( 9.522 -2.157 1.162) 9.832 9.192 ( -10.945 -17.756 0.139) 20.859 9.555 ( -10.492 -7.264 -4.311) 13.469 11.395 ( -15.090 -4.213 0.884) 15.692 12.091 ( -11.083 -8.708 -1.113) 14.139 12.492 ( -5.051 -10.678 -3.939) 12.452 13.347 ( -0.272 0.608 -0.524) 0.847 15.353 ( -3.892 8.386 11.105) 14.449 16.374 ( 9.330 -5.757 -11.029) 15.551 ======================= Grid point 988 (297/344) ======================= q-point: ( 0.60 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 5.026 16.324 2.598) 17.277 2.861 ( 12.643 8.932 7.168) 17.059 3.512 ( 5.763 5.146 -3.193) 8.360 3.884 ( 6.167 9.292 -20.286) 23.149 5.284 ( 8.254 9.997 0.843) 12.992 5.541 ( 19.352 8.208 12.348) 24.379 6.450 ( -2.306 -2.265 -0.813) 3.333 6.563 ( -6.132 3.616 -0.320) 7.126 6.915 ( -1.266 0.737 7.463) 7.605 8.766 ( -13.515 -11.526 -7.011) 19.096 8.983 ( 6.952 -5.762 0.271) 9.033 9.368 ( -3.826 -6.665 8.511) 11.467 11.104 ( -14.755 -2.097 0.492) 14.911 11.798 ( -12.172 -8.387 -0.143) 14.782 12.331 ( -2.047 -7.555 -5.285) 9.445 13.351 ( -1.805 4.169 -0.287) 4.552 15.351 ( -5.232 2.272 7.460) 9.391 16.403 ( 5.532 -7.718 -7.629) 12.181 ======================= Grid point 989 (298/344) ======================= q-point: ( 0.67 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 0.447 13.082 -0.105) 13.090 3.178 ( 13.101 6.834 -1.022) 14.812 3.643 ( 4.780 4.947 -2.595) 7.353 3.917 ( -4.190 9.078 -17.023) 19.742 5.499 ( 7.051 5.884 2.931) 9.640 5.958 ( 13.585 2.685 13.266) 19.177 6.244 ( -12.814 -6.317 -13.805) 19.866 6.487 ( -4.082 1.261 0.738) 4.336 6.966 ( 2.443 1.193 3.483) 4.419 8.529 ( -3.185 -1.425 -0.266) 3.500 9.011 ( 5.877 -12.980 8.818) 16.756 9.343 ( 0.311 0.132 8.628) 8.634 10.868 ( -11.952 1.523 0.186) 12.051 11.522 ( -10.037 -7.574 -0.669) 12.592 12.218 ( -1.540 -5.446 -6.376) 8.526 13.366 ( -3.566 8.120 -0.093) 8.869 15.296 ( -3.243 -1.686 3.729) 5.221 16.367 ( 2.821 -9.047 -4.641) 10.552 ======================= Grid point 990 (299/344) ======================= q-point: ( 0.73 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -3.341 9.394 -1.589) 10.096 3.398 ( 7.143 2.819 -11.052) 13.458 3.745 ( 3.122 4.318 -7.475) 9.180 3.877 ( -5.865 12.994 -3.969) 14.798 5.553 ( -11.455 -3.531 -8.786) 14.862 5.795 ( -6.700 -3.507 -6.996) 10.302 6.285 ( 10.065 -2.216 6.643) 12.261 6.452 ( -1.333 0.228 3.482) 3.735 7.028 ( 2.681 0.737 0.565) 2.837 8.572 ( 2.685 2.431 8.429) 9.174 9.037 ( 8.614 -12.138 11.402) 18.750 9.408 ( 2.031 2.689 7.829) 8.523 10.735 ( -8.560 7.244 0.244) 11.217 11.313 ( -4.845 -7.340 -0.975) 8.849 12.122 ( -1.270 -4.017 -7.629) 8.715 13.384 ( -5.559 11.131 0.073) 12.442 15.246 ( 0.083 -3.947 1.221) 4.132 16.300 ( 1.808 -9.336 -2.591) 9.857 ======================= Grid point 1000 (300/344) ======================= q-point: ( 0.40 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 0.000 14.578 8.015) 16.636 2.089 ( 0.000 21.142 21.283) 29.999 2.713 ( -0.000 13.488 2.348) 13.690 3.020 ( -0.000 9.316 -4.518) 10.353 3.817 ( 0.000 28.547 12.447) 31.142 5.151 ( -0.000 9.264 -17.782) 20.051 6.546 ( -0.000 0.694 -1.264) 1.442 6.585 ( -0.000 -1.384 -0.340) 1.425 7.952 ( -0.000 -17.204 -10.220) 20.010 8.518 ( -0.000 7.670 1.195) 7.763 9.505 ( 0.000 -29.538 15.519) 33.366 10.033 ( 0.000 -8.080 1.205) 8.170 11.900 ( 0.000 -12.770 -1.092) 12.816 12.433 ( -0.000 -4.758 -6.510) 8.063 13.028 ( 0.000 -16.198 -2.730) 16.426 13.323 ( 0.000 -0.966 0.771) 1.235 15.004 ( -0.000 41.337 -0.133) 41.338 16.091 ( 0.000 -11.382 -1.141) 11.440 ======================= Grid point 1001 (301/344) ======================= q-point: ( 0.47 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( 3.508 14.982 6.284) 16.621 2.357 ( 1.357 15.566 20.677) 25.917 2.967 ( 11.006 16.187 -9.653) 21.825 3.180 ( 7.736 11.181 -3.803) 14.118 4.232 ( 10.636 25.700 14.324) 31.285 5.203 ( -0.405 13.038 -15.092) 19.948 6.538 ( -2.248 -1.948 -0.506) 3.017 6.561 ( 0.602 1.076 -1.155) 1.690 7.622 ( -13.773 -12.118 -5.579) 19.175 8.602 ( 1.100 5.314 1.584) 5.653 9.281 ( 1.791 -28.256 15.466) 32.261 9.930 ( -6.537 -3.050 -7.050) 10.086 11.733 ( -3.080 -12.650 -0.799) 13.044 12.330 ( -3.107 -6.523 -4.798) 8.673 12.768 ( -8.279 -18.203 -1.795) 20.078 13.318 ( 0.418 -0.462 0.285) 0.685 15.414 ( 2.826 28.597 4.813) 29.137 16.022 ( 6.020 -10.972 -4.091) 13.166 ======================= Grid point 1002 (302/344) ======================= q-point: ( 0.53 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 7.627 13.677 6.485) 16.949 2.619 ( 3.719 16.572 14.317) 22.213 3.238 ( 9.669 8.036 -11.130) 16.791 3.481 ( 13.176 15.195 -7.351) 21.414 4.755 ( 16.959 19.917 14.055) 29.695 5.283 ( -0.817 14.051 -11.055) 17.897 6.483 ( -1.332 -1.490 1.118) 2.290 6.595 ( 1.925 1.613 -0.115) 2.514 7.283 ( -14.918 -4.088 2.939) 15.745 8.683 ( 5.184 -1.319 2.348) 5.842 9.094 ( -0.664 -20.744 7.043) 21.917 9.674 ( -13.424 -5.693 -11.006) 18.269 11.544 ( -6.951 -8.952 0.591) 11.349 12.165 ( -6.854 -7.232 -2.013) 10.165 12.440 ( -6.732 -16.523 -1.930) 17.946 13.338 ( 1.553 1.128 -0.329) 1.947 15.620 ( -7.669 14.544 12.334) 20.553 16.056 ( 12.441 -9.809 -10.903) 19.233 ======================= Grid point 1003 (303/344) ======================= q-point: ( 0.60 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 9.434 12.016 3.120) 15.592 2.897 ( 2.962 18.183 9.609) 20.778 3.411 ( 8.513 3.865 -8.915) 12.918 3.814 ( 10.176 14.840 -9.928) 20.551 5.260 ( 14.315 14.431 8.432) 22.006 5.395 ( 4.950 10.415 -1.875) 11.683 6.460 ( -1.064 -2.022 0.792) 2.419 6.650 ( 0.958 2.458 1.166) 2.884 7.055 ( -10.615 -0.944 7.460) 13.009 8.742 ( 4.082 -11.270 7.274) 14.021 8.869 ( -5.955 -8.409 -11.164) 15.192 9.380 ( -7.083 -7.675 -1.954) 10.625 11.312 ( -11.317 -5.857 1.635) 12.847 11.934 ( -11.404 -6.584 0.698) 13.187 12.235 ( -0.248 -11.387 -3.931) 12.049 13.392 ( 1.852 4.382 -0.504) 4.783 15.574 ( -12.057 5.551 9.994) 16.616 16.128 ( 10.937 -11.350 -9.105) 18.203 ======================= Grid point 1004 (304/344) ======================= q-point: ( 0.67 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 7.074 11.156 -3.861) 13.762 3.126 ( 1.365 14.759 7.552) 16.635 3.567 ( 8.070 4.873 -7.067) 11.782 4.032 ( 1.353 15.668 -9.542) 18.395 5.482 ( 3.337 9.635 -0.126) 10.197 5.743 ( 17.538 3.446 10.356) 20.657 6.347 ( -8.661 -6.204 -6.236) 12.344 6.621 ( -7.236 1.859 0.209) 7.474 6.967 ( -1.357 -1.423 7.440) 7.695 8.574 ( -5.416 -3.574 -3.019) 7.156 8.805 ( 5.656 -11.487 2.648) 13.075 9.290 ( 2.442 -5.194 2.582) 6.293 11.084 ( -10.648 -1.751 2.567) 11.092 11.664 ( -13.100 -5.293 0.912) 14.158 12.141 ( 0.717 -6.918 -5.207) 8.688 13.484 ( 0.986 9.268 -0.409) 9.329 15.422 ( -11.164 -0.144 5.698) 12.535 16.136 ( 7.895 -13.999 -5.836) 17.098 ======================= Grid point 1005 (305/344) ======================= q-point: ( 0.73 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -1.613 9.456 -5.531) 11.073 3.320 ( 5.051 9.306 2.167) 10.807 3.723 ( 4.103 8.964 -8.498) 13.015 4.125 ( -5.645 17.687 -5.568) 19.383 5.611 ( 1.718 3.277 1.345) 3.936 5.926 ( -14.271 -7.308 -9.346) 18.558 6.087 ( 8.603 -3.145 0.467) 9.172 6.521 ( -5.102 -0.622 5.311) 7.391 6.983 ( 2.294 -2.496 3.712) 5.027 8.571 ( 2.976 2.689 4.720) 6.194 8.816 ( 7.563 -10.578 7.573) 15.048 9.325 ( 5.818 -4.827 0.491) 7.575 10.956 ( -6.806 5.103 3.491) 9.196 11.395 ( -12.051 -5.181 0.840) 13.144 12.068 ( -0.569 -4.201 -6.542) 7.796 13.597 ( -2.054 14.757 -0.115) 14.900 15.250 ( -6.654 -5.057 2.403) 8.696 16.094 ( 6.345 -15.302 -3.363) 16.903 ======================= Grid point 1016 (306/344) ======================= q-point: ( 0.47 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -0.000 12.738 1.888) 12.877 2.544 ( 0.000 9.958 19.178) 21.609 3.045 ( -0.000 21.778 -9.776) 23.872 3.207 ( -0.000 11.106 -2.244) 11.331 4.445 ( 0.000 25.021 12.745) 28.080 5.317 ( -0.000 18.398 -13.934) 23.080 6.541 ( -0.000 -2.390 -0.969) 2.579 6.547 ( 0.000 -0.887 -0.194) 0.908 7.527 ( -0.000 -15.568 -13.891) 20.864 8.726 ( 0.000 11.026 3.201) 11.481 9.030 ( 0.000 -27.471 17.799) 32.733 9.947 ( -0.000 -2.070 -6.850) 7.156 11.585 ( 0.000 -16.979 -2.531) 17.167 12.271 ( -0.000 -7.642 -4.612) 8.926 12.650 ( 0.000 -19.106 -1.234) 19.145 13.313 ( 0.000 -0.933 1.422) 1.701 15.627 ( -0.000 18.346 -9.622) 20.716 15.906 ( 0.000 -4.047 12.210) 12.863 ======================= Grid point 1017 (307/344) ======================= q-point: ( 0.53 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 5.795 12.099 2.902) 13.726 2.724 ( 4.516 9.684 11.885) 15.982 3.221 ( 0.987 14.964 -7.957) 16.977 3.409 ( 9.860 13.311 -2.342) 16.730 4.790 ( 7.741 21.207 11.295) 25.244 5.450 ( -2.394 20.463 -12.009) 23.847 6.488 ( -1.473 -3.054 0.240) 3.399 6.557 ( 2.478 -2.404 2.061) 4.020 7.333 ( -1.802 -10.584 -10.033) 14.694 8.721 ( -6.401 -2.842 10.117) 12.305 8.925 ( 2.873 -9.537 6.165) 11.714 9.798 ( -10.384 -4.618 -10.853) 15.715 11.440 ( 3.034 -15.318 -1.593) 15.697 12.148 ( -2.204 -9.808 -4.996) 11.225 12.400 ( -7.077 -16.314 1.965) 17.891 13.323 ( 1.487 0.396 0.815) 1.741 15.724 ( 9.068 -4.960 -12.268) 16.042 15.951 ( -7.054 10.465 15.308) 19.840 ======================= Grid point 1018 (308/344) ======================= q-point: ( 0.60 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 7.400 11.005 4.637) 14.049 2.996 ( 10.272 13.229 5.484) 17.624 3.326 ( 1.273 8.001 -6.682) 10.502 3.740 ( 12.758 13.570 -2.207) 18.755 5.180 ( 11.980 14.735 9.063) 21.042 5.546 ( -4.592 18.409 -9.142) 21.061 6.442 ( -0.145 -5.420 2.290) 5.886 6.611 ( 4.621 -1.332 4.923) 6.882 7.179 ( -4.324 -5.879 -3.564) 8.122 8.629 ( -0.450 -9.052 9.304) 12.988 8.871 ( -4.871 -1.461 -4.038) 6.493 9.473 ( -13.496 -6.515 -9.893) 17.957 11.336 ( -0.689 -11.526 -0.439) 11.555 11.981 ( -2.328 -11.503 -4.232) 12.476 12.159 ( -6.050 -9.442 3.601) 11.777 13.386 ( 3.367 3.700 0.083) 5.003 15.758 ( 7.559 -12.174 -5.145) 15.225 15.930 ( -10.221 7.650 7.308) 14.710 ======================= Grid point 1019 (309/344) ======================= q-point: ( 0.67 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 7.261 9.521 1.677) 12.091 3.324 ( 1.291 17.536 7.153) 18.983 3.411 ( 10.587 3.467 -8.668) 14.115 4.071 ( 9.761 14.448 -2.444) 17.607 5.533 ( 11.962 7.342 6.018) 15.271 5.609 ( -2.469 12.968 -4.076) 13.816 6.361 ( -2.597 -9.337 1.764) 9.850 6.683 ( 1.402 -0.965 2.716) 3.205 7.036 ( -5.744 -4.170 1.449) 7.244 8.587 ( 0.929 -5.745 3.720) 6.907 8.696 ( -7.093 -3.508 -7.788) 11.103 9.248 ( -3.681 -4.026 -1.338) 5.617 11.183 ( -5.016 -7.135 0.737) 8.753 11.794 ( -7.054 -9.592 -0.978) 11.947 12.050 ( 0.119 -4.279 0.200) 4.285 13.514 ( 4.788 8.102 -0.209) 9.414 15.667 ( -9.157 -4.303 3.828) 10.817 15.846 ( 1.826 -9.142 -3.013) 9.797 ======================= Grid point 1020 (310/344) ======================= q-point: ( 0.73 0.47 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 4.658 8.123 -3.642) 10.047 3.402 ( -0.638 5.021 4.699) 6.907 3.719 ( 8.870 17.237 -5.114) 20.049 4.326 ( 2.407 17.055 -2.677) 17.430 5.646 ( -1.333 6.500 -0.802) 6.683 5.812 ( 11.963 -1.937 5.536) 13.324 6.133 ( -12.479 -9.328 -7.916) 17.476 6.623 ( -5.616 -2.618 1.415) 6.356 6.936 ( -0.740 -6.121 4.325) 7.531 8.567 ( 0.030 1.280 -0.084) 1.283 8.638 ( 5.735 -4.171 3.202) 7.781 9.200 ( 1.671 -4.450 -0.392) 4.769 11.074 ( -3.135 -0.169 2.195) 3.831 11.547 ( -10.458 -8.511 0.351) 13.488 12.032 ( -0.072 -0.648 -2.649) 2.728 13.708 ( 5.153 13.389 -0.156) 14.347 15.418 ( -15.356 -3.342 3.154) 16.028 15.785 ( 7.373 -17.580 -3.442) 19.372 ======================= Grid point 1032 (311/344) ======================= q-point: ( 0.53 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -0.000 10.886 0.067) 10.886 2.799 ( 0.000 7.786 8.617) 11.614 3.380 ( -0.000 14.601 -1.212) 14.651 3.406 ( -0.000 9.861 -1.530) 9.979 4.972 ( 0.000 20.670 8.181) 22.230 5.655 ( -0.000 23.108 -11.660) 25.884 6.466 ( 0.000 -10.178 5.691) 11.661 6.488 ( 0.000 -2.249 -0.334) 2.274 7.191 ( -0.000 -8.501 -12.291) 14.945 8.693 ( 0.000 -15.968 11.038) 19.412 8.968 ( 0.000 10.534 2.611) 10.853 9.818 ( -0.000 -4.655 -11.513) 12.419 11.221 ( 0.000 -17.138 -2.205) 17.280 12.025 ( -0.000 -14.161 -6.212) 15.464 12.338 ( 0.000 -11.859 4.966) 12.856 13.302 ( 0.000 -1.102 1.178) 1.613 15.554 ( -0.000 -6.073 -9.283) 11.093 16.170 ( 0.000 9.452 12.983) 16.059 ======================= Grid point 1033 (312/344) ======================= q-point: ( 0.60 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 7.813 10.162 1.986) 12.971 2.945 ( 5.416 8.576 3.382) 10.692 3.437 ( -2.528 9.333 0.423) 9.679 3.641 ( 11.125 9.528 1.760) 14.752 5.226 ( 4.336 16.880 5.099) 18.158 5.799 ( -4.813 21.102 -10.697) 24.143 6.362 ( 0.411 -14.187 8.162) 16.373 6.517 ( 5.067 -2.309 2.928) 6.291 7.101 ( 1.260 -5.315 -9.231) 10.726 8.589 ( -0.980 -8.182 6.255) 10.346 9.012 ( -6.682 7.295 -0.002) 9.892 9.605 ( -12.016 -5.860 -12.732) 18.462 11.129 ( 7.188 -14.198 -1.687) 16.003 11.840 ( -1.032 -15.646 -4.884) 16.423 12.210 ( -5.297 -7.270 6.493) 11.094 13.341 ( 4.622 0.855 0.646) 4.744 15.506 ( 4.632 -7.975 -6.893) 11.514 16.213 ( -8.233 5.452 9.913) 13.992 ======================= Grid point 1034 (313/344) ======================= q-point: ( 0.67 0.53 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 6.674 9.377 5.195) 12.628 3.196 ( 13.834 7.774 -4.929) 16.616 3.497 ( -1.201 9.284 5.127) 10.673 3.969 ( 14.865 8.903 2.820) 17.555 5.469 ( 6.154 10.271 2.406) 12.212 5.841 ( -7.587 16.258 -8.345) 19.787 6.258 ( 1.568 -17.103 10.703) 20.237 6.608 ( 5.498 -2.629 2.690) 6.662 7.039 ( -0.963 -3.404 -6.239) 7.173 8.546 ( 0.077 -1.658 1.672) 2.356 8.859 ( -14.014 1.005 -6.414) 15.445 9.326 ( -9.242 -2.022 -4.737) 10.580 11.109 ( 3.820 -9.534 -2.207) 10.505 11.682 ( 1.699 -14.381 -2.839) 14.757 12.083 ( -4.985 -3.507 5.919) 8.497 13.481 ( 7.572 5.559 0.241) 9.396 15.477 ( 5.262 -11.576 -4.902) 13.628 16.071 ( -15.164 1.504 6.510) 16.571 ======================= Grid point 1048 (314/344) ======================= q-point: ( 0.60 0.60 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -0.000 8.077 0.501) 8.092 3.018 ( 0.000 9.939 5.711) 11.463 3.570 ( -0.000 7.665 -1.635) 7.837 3.596 ( 0.000 4.890 8.121) 9.479 5.370 ( -0.000 15.482 1.707) 15.576 6.018 ( -0.000 20.130 -11.638) 23.252 6.212 ( 0.000 -21.466 14.590) 25.955 6.451 ( 0.000 -1.567 0.818) 1.768 7.026 ( -0.000 -1.741 -6.871) 7.088 8.553 ( 0.000 -2.684 0.780) 2.795 9.154 ( -0.000 6.875 -0.122) 6.876 9.614 ( -0.000 -5.678 -16.019) 16.995 10.902 ( 0.000 -13.532 -0.305) 13.535 11.685 ( -0.000 -14.802 -3.311) 15.168 12.213 ( 0.000 -6.331 7.247) 9.622 13.287 ( 0.000 -0.969 0.570) 1.124 15.391 ( -0.000 -4.772 -5.302) 7.134 16.356 ( 0.000 2.230 8.289) 8.584 ======================= Grid point 1049 (315/344) ======================= q-point: (-0.33 -0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 10.050 6.339 1.762) 12.012 3.153 ( 1.811 10.170 4.546) 11.286 3.603 ( -0.815 5.852 4.494) 7.424 3.799 ( 12.521 3.831 5.433) 14.177 5.518 ( 1.526 10.292 -0.726) 10.430 6.041 ( -0.049 -14.484 7.902) 16.499 6.120 ( -4.115 7.104 -0.605) 8.232 6.493 ( 4.885 -1.552 -0.244) 5.131 7.006 ( 0.309 0.299 -4.284) 4.305 8.545 ( 0.088 1.922 -3.215) 3.746 9.091 ( -12.504 1.809 -6.131) 14.043 9.439 ( -6.540 -1.394 -10.067) 12.086 10.876 ( 9.125 -9.812 -1.219) 13.455 11.525 ( -1.049 -13.125 -1.483) 13.250 12.146 ( -3.765 -4.565 7.406) 9.480 13.364 ( 8.785 1.114 0.258) 8.859 15.335 ( 0.236 -5.326 -3.728) 6.505 16.312 ( -8.892 -0.409 5.823) 10.636 ======================= Grid point 1064 (316/344) ======================= q-point: (-0.33 -0.33 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 0.000 4.308 1.348) 4.513 3.283 ( 0.000 10.593 10.816) 15.139 3.688 ( -0.000 5.436 -1.855) 5.744 3.702 ( 0.000 -0.360 11.293) 11.299 5.574 ( -0.000 1.930 0.267) 1.949 5.872 ( 0.000 -18.853 16.128) 24.810 6.284 ( -0.000 13.092 -10.448) 16.750 6.435 ( 0.000 -0.968 1.626) 1.893 7.007 ( -0.000 2.190 -1.746) 2.801 8.555 ( -0.000 3.738 -6.947) 7.889 9.237 ( -0.000 2.776 -2.861) 3.986 9.402 ( -0.000 -2.227 -19.905) 20.029 10.692 ( 0.000 -7.989 1.691) 8.166 11.430 ( 0.000 -9.567 0.542) 9.582 12.161 ( 0.000 -4.326 7.674) 8.810 13.274 ( 0.000 -0.596 0.079) 0.601 15.297 ( -0.000 -1.993 -2.321) 3.059 16.394 ( 0.000 -2.201 4.261) 4.796 ======================= Grid point 1209 (317/344) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.000 -0.000 20.383) 20.383 1.442 ( 0.000 -0.000 20.383) 20.383 2.613 ( 0.000 -0.000 43.139) 43.139 2.875 ( -0.000 0.000 -7.020) 7.020 2.875 ( -0.000 0.000 -7.020) 7.020 5.080 ( -0.000 0.000 -22.306) 22.306 6.588 ( 0.000 -0.000 1.486) 1.486 6.588 ( 0.000 -0.000 1.486) 1.486 8.410 ( -0.000 0.000 -2.830) 2.830 8.410 ( -0.000 0.000 -2.830) 2.830 9.734 ( 0.000 -0.000 0.811) 0.811 11.537 ( 0.000 -0.000 3.241) 3.241 12.130 ( 0.000 -0.000 1.980) 1.980 12.130 ( 0.000 -0.000 1.980) 1.980 13.369 ( -0.000 0.000 -1.124) 1.124 13.369 ( -0.000 0.000 -1.124) 1.124 13.434 ( -0.000 0.000 -2.096) 2.096 16.358 ( -0.000 0.000 -0.468) 0.468 ======================= Grid point 1210 (318/344) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 5.712 3.298 18.764) 19.889 1.777 ( 14.788 8.538 18.358) 25.072 2.630 ( 1.971 1.138 10.465) 10.710 2.937 ( 5.716 3.300 -6.529) 9.284 3.229 ( 22.711 13.112 16.394) 30.927 5.020 ( 1.524 0.880 -21.438) 21.511 6.571 ( -1.165 -0.672 1.494) 2.010 6.580 ( -1.544 -0.891 0.525) 1.859 8.130 ( -21.497 -12.411 0.801) 24.836 8.483 ( 5.339 3.083 -3.161) 6.928 9.757 ( 0.950 0.548 0.679) 1.290 10.735 ( -38.521 -22.240 9.842) 45.557 12.031 ( -7.531 -4.348 2.312) 8.998 12.460 ( 4.936 2.850 -7.035) 9.055 13.247 ( -9.285 -5.361 -0.530) 10.734 13.382 ( 0.421 0.243 -1.327) 1.413 14.028 ( 40.905 23.617 -1.022) 47.245 16.319 ( -1.919 -1.108 -2.527) 3.362 ======================= Grid point 1211 (319/344) ======================= q-point: ( 0.47 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 12.409 7.164 13.917) 19.974 2.132 ( 9.858 5.691 22.306) 25.042 2.890 ( 19.343 11.168 -10.733) 24.780 3.076 ( 7.866 4.541 -5.388) 10.561 3.883 ( 27.701 15.993 18.778) 37.090 5.012 ( 3.914 2.260 -17.557) 18.130 6.541 ( -1.511 -0.872 -0.240) 1.761 6.546 ( -1.291 -0.745 1.028) 1.811 7.563 ( -25.553 -14.753 7.478) 30.439 8.626 ( 7.793 4.499 -2.690) 9.392 9.746 ( -3.144 -1.815 4.728) 5.961 10.059 ( -23.919 -13.810 -0.617) 27.627 11.812 ( -11.953 -6.901 2.082) 13.958 12.412 ( -4.817 -2.781 -5.842) 8.066 12.969 ( -13.824 -7.981 -0.232) 15.964 13.378 ( -0.474 -0.274 -1.179) 1.300 14.848 ( 26.331 15.202 5.726) 30.939 16.295 ( 2.120 1.224 -9.086) 9.410 ======================= Grid point 1212 (320/344) ======================= q-point: ( 0.53 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 13.895 8.022 8.954) 18.374 2.425 ( 10.175 5.874 18.212) 21.673 3.246 ( 8.034 4.638 -3.825) 10.034 3.326 ( 20.925 12.081 -19.152) 30.832 4.578 ( 26.567 15.339 14.416) 33.896 5.093 ( 7.751 4.475 -9.382) 12.966 6.519 ( -1.237 -0.714 0.218) 1.445 6.523 ( -0.127 -0.073 1.054) 1.064 7.120 ( -14.920 -8.614 11.147) 20.520 8.810 ( 8.570 4.948 -1.472) 10.004 9.508 ( -22.319 -12.886 -4.737) 26.203 9.672 ( -6.193 -3.576 2.992) 7.752 11.514 ( -14.100 -8.141 1.368) 16.338 12.231 ( -9.664 -5.579 -2.430) 11.420 12.660 ( -11.791 -6.807 -1.764) 13.729 13.354 ( -1.199 -0.692 -0.860) 1.630 15.253 ( 7.570 4.370 11.562) 14.495 16.354 ( 5.812 3.355 -13.393) 14.980 ======================= Grid point 1213 (321/344) ======================= q-point: ( 0.60 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 11.907 6.875 4.636) 14.510 2.731 ( 12.008 6.933 10.407) 17.337 3.411 ( 7.148 4.127 -1.859) 8.461 3.649 ( 12.534 7.237 -21.674) 26.062 5.094 ( 14.770 8.527 -0.898) 17.078 5.388 ( 18.992 10.965 10.989) 24.529 6.491 ( -1.142 -0.659 -0.668) 1.478 6.517 ( -2.226 -1.285 0.945) 2.739 6.949 ( -3.852 -2.224 9.867) 10.823 8.964 ( -20.486 -11.828 -13.347) 27.161 8.995 ( 7.462 4.308 0.205) 8.619 9.545 ( -7.398 -4.271 13.038) 15.587 11.194 ( -13.694 -7.906 0.293) 15.815 11.961 ( -12.972 -7.489 0.187) 14.979 12.435 ( -7.113 -4.107 -4.466) 9.349 13.321 ( -1.376 -0.795 -0.525) 1.674 15.352 ( -0.690 -0.398 9.535) 9.568 16.428 ( 3.647 2.106 -11.002) 11.780 ======================= Grid point 1214 (322/344) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 8.025 4.633 1.001) 9.320 3.036 ( 12.456 7.192 1.439) 14.455 3.560 ( 6.039 3.486 0.318) 6.980 3.747 ( 2.933 1.693 -19.879) 20.165 5.377 ( 11.300 6.524 0.410) 13.054 5.881 ( 17.521 10.116 14.491) 24.886 6.341 ( -12.820 -7.401 -10.078) 17.908 6.463 ( -1.060 -0.612 -1.327) 1.805 6.959 ( 0.998 0.576 5.870) 5.982 8.582 ( -8.043 -4.644 -4.929) 10.514 9.144 ( 5.061 2.922 1.807) 6.117 9.437 ( -6.299 -3.637 17.859) 19.283 10.905 ( -11.052 -6.381 -0.851) 12.790 11.668 ( -12.064 -6.965 0.162) 13.932 12.284 ( -4.853 -2.802 -6.259) 8.401 13.291 ( -1.012 -0.584 -0.263) 1.197 15.334 ( -2.419 -1.396 5.448) 6.122 16.438 ( 0.096 0.055 -7.225) 7.225 ======================= Grid point 1225 (323/344) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 18.364 18.685) 26.199 1.742 ( 0.000 11.788 11.318) 16.342 2.658 ( 0.000 -4.026 9.600) 10.410 2.859 ( -0.000 4.771 -5.315) 7.142 3.311 ( 0.000 26.273 16.909) 31.243 4.956 ( -0.000 3.705 -21.386) 21.704 6.561 ( 0.000 -2.132 1.037) 2.370 6.602 ( 0.000 -0.328 0.413) 0.527 8.252 ( -0.000 -13.865 -4.498) 14.576 8.408 ( -0.000 3.365 -0.496) 3.402 9.755 ( 0.000 0.174 0.891) 0.908 10.704 ( 0.000 -50.007 11.048) 51.213 12.092 ( 0.000 -6.438 0.143) 6.440 12.425 ( -0.000 5.649 -5.397) 7.813 13.277 ( 0.000 -9.094 -1.719) 9.255 13.343 ( 0.000 -0.901 0.046) 0.903 14.043 ( -0.000 50.371 -1.781) 50.402 16.282 ( 0.000 -7.315 -0.592) 7.339 ======================= Grid point 1226 (324/344) ======================= q-point: ( 0.47 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.799 16.706 10.851) 19.937 2.127 ( 9.746 14.355 18.343) 25.249 2.708 ( 7.716 6.160 -5.381) 11.244 2.984 ( 7.190 6.911 -4.255) 10.843 3.773 ( 15.113 24.923 17.782) 34.143 4.950 ( 1.409 6.646 -18.369) 19.585 6.546 ( -0.064 -0.944 0.263) 0.982 6.573 ( -2.260 -1.187 -0.014) 2.553 7.876 ( -20.551 -14.066 0.285) 24.905 8.515 ( 6.343 3.185 -1.778) 7.316 9.741 ( -0.056 -6.074 4.005) 7.276 10.176 ( -13.310 -29.368 4.065) 32.499 11.938 ( -7.821 -7.799 0.586) 11.061 12.413 ( -1.594 -3.133 -4.996) 6.109 13.077 ( -9.485 -12.510 -0.614) 15.711 13.339 ( 1.205 -1.847 -0.657) 2.301 14.731 ( 18.662 39.569 0.993) 43.760 16.203 ( 1.268 -7.932 -3.093) 8.607 ======================= Grid point 1227 (325/344) ======================= q-point: ( 0.53 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 6.640 16.645 7.689) 19.500 2.428 ( 5.344 9.179 20.182) 22.806 3.010 ( 18.212 10.494 -16.422) 26.673 3.188 ( 8.430 10.828 -4.392) 14.408 4.388 ( 21.502 21.290 14.442) 33.529 5.017 ( 3.961 8.647 -12.109) 15.398 6.519 ( -1.736 -1.856 0.616) 2.615 6.549 ( 0.215 1.473 -0.353) 1.530 7.406 ( -20.566 -7.427 7.512) 23.120 8.669 ( 9.260 1.834 -2.139) 9.680 9.609 ( -6.848 -23.737 9.975) 26.643 9.741 ( -11.540 -5.109 -9.861) 16.016 11.696 ( -12.181 -6.544 1.319) 13.890 12.292 ( -5.330 -5.940 -2.833) 8.469 12.749 ( -11.265 -14.174 -0.520) 18.113 13.340 ( 1.036 -1.436 -0.906) 1.989 15.293 ( 7.200 21.302 9.221) 24.303 16.177 ( 7.003 -5.657 -10.522) 13.847 ======================= Grid point 1228 (326/344) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 7.477 15.653 4.139) 17.834 2.678 ( 6.968 8.759 13.355) 17.425 3.294 ( 11.222 4.580 -8.680) 14.908 3.479 ( 11.502 14.794 -11.888) 22.192 4.956 ( 15.650 16.438 1.315) 22.735 5.216 ( 13.881 9.012 4.416) 17.129 6.488 ( -0.741 -1.393 0.624) 1.696 6.576 ( -0.613 3.588 -0.191) 3.645 7.108 ( -12.421 -1.937 10.778) 16.559 8.844 ( 10.609 -0.539 -1.751) 10.766 9.131 ( -18.940 -16.449 -10.486) 27.189 9.580 ( -2.617 -10.528 7.768) 13.343 11.407 ( -15.384 -4.102 1.435) 15.986 12.087 ( -10.245 -7.854 0.557) 12.922 12.456 ( -6.272 -11.623 -3.172) 13.583 13.340 ( -0.149 0.736 -0.769) 1.075 15.472 ( -5.239 7.904 11.754) 15.102 16.249 ( 10.390 -4.312 -12.978) 17.175 ======================= Grid point 1229 (327/344) ======================= q-point: ( 0.67 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 4.760 14.202 0.377) 14.984 2.930 ( 8.510 8.141 5.230) 12.886 3.472 ( 8.056 3.237 -4.601) 9.826 3.710 ( 3.707 12.659 -12.178) 17.953 5.269 ( 9.772 10.884 -3.044) 14.941 5.675 ( 20.988 7.648 12.861) 25.776 6.425 ( -6.087 -4.120 -4.138) 8.435 6.547 ( -6.254 3.732 -2.500) 7.700 7.003 ( -3.473 -0.048 9.290) 9.918 8.672 ( -12.176 -8.070 -9.420) 17.382 9.001 ( 9.535 -4.519 1.921) 10.725 9.476 ( -0.620 -10.827 11.798) 16.025 11.114 ( -15.540 -1.299 1.311) 15.649 11.806 ( -12.679 -8.324 1.902) 15.286 12.274 ( -2.677 -7.857 -5.802) 10.127 13.347 ( -1.641 4.217 -0.519) 4.554 15.430 ( -7.260 1.273 7.604) 10.590 16.314 ( 7.183 -6.148 -9.343) 13.293 ======================= Grid point 1241 (328/344) ======================= q-point: ( 0.47 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -0.000 12.602 1.676) 12.713 2.305 ( 0.000 23.851 19.856) 31.034 2.687 ( -0.000 6.193 -6.571) 9.029 2.987 ( -0.000 9.930 -1.603) 10.059 3.970 ( 0.000 27.409 15.597) 31.536 4.966 ( -0.000 11.158 -17.090) 20.410 6.539 ( -0.000 -0.193 -0.249) 0.315 6.579 ( -0.000 -1.750 -0.779) 1.916 7.847 ( -0.000 -20.280 -10.054) 22.636 8.537 ( 0.000 8.626 2.276) 8.921 9.641 ( 0.000 -20.027 10.717) 22.714 10.046 ( 0.000 -17.225 0.999) 17.254 11.884 ( 0.000 -13.440 -1.919) 13.576 12.379 ( -0.000 -4.385 -3.730) 5.757 13.003 ( 0.000 -16.382 -2.155) 16.523 13.334 ( 0.000 -0.630 1.251) 1.401 14.989 ( -0.000 41.613 -2.565) 41.692 16.099 ( 0.000 -10.010 2.595) 10.340 ======================= Grid point 1242 (329/344) ======================= q-point: ( 0.53 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 5.468 13.964 1.235) 15.047 2.571 ( 0.156 12.062 19.537) 22.962 2.840 ( 8.975 16.786 -13.593) 23.390 3.154 ( 6.863 11.429 -1.120) 13.378 4.383 ( 10.957 24.504 13.590) 30.086 5.048 ( 0.735 14.466 -13.917) 20.087 6.532 ( -1.547 -1.857 -0.601) 2.491 6.552 ( 0.466 0.988 -0.546) 1.221 7.558 ( -6.803 -15.235 -6.715) 17.985 8.621 ( -0.447 7.454 2.071) 7.749 9.438 ( -0.377 -27.869 14.725) 31.522 9.849 ( -9.358 -5.003 -8.667) 13.701 11.723 ( -1.829 -13.147 -1.165) 13.324 12.290 ( -2.718 -6.304 -2.662) 7.363 12.754 ( -7.709 -18.036 -0.905) 19.636 13.322 ( -0.417 -0.116 0.636) 0.769 15.428 ( 8.927 27.297 -2.073) 28.794 16.017 ( -0.534 -8.146 3.060) 8.718 ======================= Grid point 1243 (330/344) ======================= q-point: ( 0.60 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 7.821 14.001 2.001) 16.162 2.759 ( 3.368 11.912 10.266) 16.082 3.117 ( 9.828 10.612 -9.409) 17.255 3.433 ( 10.099 15.462 -2.118) 18.589 4.883 ( 15.547 19.707 8.780) 26.593 5.177 ( 2.675 13.884 -7.670) 16.086 6.491 ( -0.789 -1.253 0.395) 1.532 6.595 ( 1.894 2.928 0.000) 3.487 7.303 ( -8.577 -7.228 1.006) 11.262 8.699 ( 3.445 2.360 0.740) 4.241 9.158 ( -7.595 -23.082 4.082) 24.640 9.584 ( -9.434 -7.276 -5.330) 13.052 11.548 ( -5.987 -9.283 0.234) 11.049 12.149 ( -5.148 -7.267 -0.894) 8.950 12.428 ( -8.280 -16.053 -0.495) 18.069 13.335 ( 1.118 1.375 -0.114) 1.776 15.733 ( -2.583 15.246 8.071) 17.443 15.953 ( 6.630 -9.464 -7.596) 13.829 ======================= Grid point 1244 (331/344) ======================= q-point: ( 0.67 0.47 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 7.056 12.246 -0.933) 14.164 2.991 ( 3.037 16.011 6.654) 17.603 3.323 ( 9.534 3.908 -6.174) 12.012 3.745 ( 7.264 16.771 -3.413) 18.593 5.262 ( 5.113 16.651 -6.083) 18.450 5.446 ( 17.253 7.434 9.571) 21.084 6.459 ( -2.506 -2.184 -0.937) 3.454 6.647 ( -0.981 3.832 -1.887) 4.383 7.127 ( -7.092 -3.380 6.211) 10.015 8.742 ( -6.369 -6.443 -11.868) 14.931 8.817 ( 0.665 -10.287 6.157) 12.007 9.395 ( -1.673 -11.094 4.755) 12.186 11.328 ( -10.587 -5.914 1.210) 12.187 11.948 ( -10.557 -6.966 2.217) 12.841 12.197 ( -2.134 -10.670 -3.658) 11.480 13.388 ( 1.730 4.505 -0.331) 4.837 15.675 ( -13.984 4.083 9.365) 17.318 16.027 ( 12.146 -9.181 -10.059) 18.249 ======================= Grid point 1257 (332/344) ======================= q-point: ( 0.53 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -0.000 12.895 -2.678) 13.171 2.685 ( 0.000 5.374 3.345) 6.330 2.986 ( -0.000 24.892 3.238) 25.102 3.197 ( -0.000 10.811 0.284) 10.815 4.577 ( 0.000 23.418 11.921) 26.278 5.168 ( -0.000 19.748 -14.012) 24.214 6.531 ( -0.000 -2.260 -0.838) 2.410 6.543 ( -0.000 0.372 -0.596) 0.702 7.383 ( -0.000 -16.222 -13.747) 21.263 8.759 ( 0.000 11.123 3.141) 11.558 9.211 ( 0.000 -28.194 17.154) 33.002 9.866 ( -0.000 -4.025 -8.919) 9.786 11.558 ( 0.000 -17.054 -2.574) 17.247 12.232 ( -0.000 -8.518 -2.668) 8.926 12.644 ( 0.000 -17.249 -0.064) 17.249 13.328 ( 0.000 -0.984 1.471) 1.770 15.506 ( -0.000 11.754 -12.499) 17.158 16.054 ( 0.000 3.562 15.095) 15.509 ======================= Grid point 1258 (333/344) ======================= q-point: ( 0.60 0.53 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 7.934 12.918 -1.060) 15.197 2.777 ( 4.202 7.786 -3.412) 9.482 3.202 ( -1.599 16.146 5.726) 17.206 3.409 ( 9.380 13.814 2.569) 16.894 4.901 ( 7.864 19.052 9.444) 22.671 5.319 ( -1.511 21.399 -12.744) 24.952 6.490 ( -0.971 -2.051 0.049) 2.270 6.572 ( 2.866 0.084 0.851) 2.991 7.222 ( 2.006 -11.168 -11.068) 15.851 8.806 ( -6.293 6.263 5.814) 10.613 9.013 ( -0.149 -21.388 10.766) 23.945 9.683 ( -10.735 -5.826 -11.090) 16.498 11.423 ( 3.845 -15.403 -1.652) 15.962 12.105 ( -1.767 -11.518 -2.981) 12.028 12.425 ( -7.036 -13.410 2.732) 15.388 13.332 ( 0.999 0.354 0.877) 1.376 15.597 ( 9.410 -2.177 -12.224) 15.579 16.106 ( -8.023 8.246 14.490) 18.502 ======================= Grid point 1273 (334/344) ======================= q-point: (-0.40 -0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -0.000 12.056 -2.573) 12.327 2.817 ( -0.000 9.953 -4.836) 11.066 3.400 ( -0.000 9.151 0.264) 9.155 3.453 ( 0.000 14.374 14.631) 20.511 5.049 ( 0.000 17.746 6.462) 18.886 5.523 ( -0.000 24.139 -13.585) 27.699 6.487 ( 0.000 -1.815 0.186) 1.824 6.509 ( 0.000 -5.551 2.473) 6.077 7.064 ( -0.000 -6.381 -11.916) 13.517 8.821 ( 0.000 -21.047 13.514) 25.012 8.989 ( -0.000 9.717 1.328) 9.807 9.687 ( -0.000 -6.377 -13.530) 14.958 11.202 ( 0.000 -16.572 -1.378) 16.629 11.977 ( 0.000 -14.751 -2.990) 15.051 12.388 ( 0.000 -9.687 4.661) 10.750 13.313 ( 0.000 -1.342 0.927) 1.631 15.453 ( -0.000 -3.155 -9.901) 10.392 16.304 ( 0.000 6.653 12.680) 14.319 ======================= Grid point 1451 (335/344) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 -0.000 14.118) 14.118 1.622 ( 0.000 -0.000 14.118) 14.118 2.806 ( -0.000 0.000 -5.934) 5.934 2.806 ( -0.000 0.000 -5.934) 5.934 3.019 ( 0.000 -0.000 34.143) 34.143 4.847 ( -0.000 0.000 -21.616) 21.616 6.602 ( 0.000 -0.000 1.039) 1.039 6.602 ( 0.000 -0.000 1.039) 1.039 8.385 ( -0.000 0.000 -1.947) 1.947 8.385 ( -0.000 0.000 -1.947) 1.947 9.743 ( 0.000 -0.000 0.938) 0.938 11.564 ( 0.000 -0.000 1.965) 1.965 12.148 ( 0.000 -0.000 1.358) 1.358 12.148 ( 0.000 -0.000 1.358) 1.358 13.359 ( -0.000 0.000 -0.782) 0.782 13.359 ( -0.000 0.000 -0.782) 0.782 13.416 ( -0.000 0.000 -1.407) 1.407 16.354 ( -0.000 0.000 -0.323) 0.323 ======================= Grid point 1452 (336/344) ======================= q-point: ( 0.47 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 5.119 2.956 13.885) 15.091 1.926 ( 17.063 9.851 9.751) 21.983 2.668 ( -2.982 -1.722 -0.167) 3.447 2.872 ( 5.973 3.448 -5.693) 8.943 3.440 ( 21.462 12.391 20.567) 32.205 4.807 ( 2.672 1.543 -18.324) 18.582 6.584 ( -1.918 -1.108 0.065) 2.216 6.585 ( -1.180 -0.682 1.315) 1.894 8.144 ( -18.839 -10.877 1.945) 21.841 8.451 ( 5.176 2.988 -2.869) 6.629 9.764 ( 1.047 0.604 0.531) 1.320 10.807 ( -38.992 -22.512 4.288) 45.228 12.055 ( -7.376 -4.259 2.182) 8.792 12.404 ( 3.908 2.256 -3.806) 5.903 13.245 ( -9.043 -5.221 0.167) 10.443 13.368 ( 0.346 0.200 -1.329) 1.388 14.021 ( 41.885 24.182 -0.320) 48.365 16.298 ( -3.821 -2.206 -1.626) 4.702 ======================= Grid point 1453 (337/344) ======================= q-point: ( 0.53 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 10.809 6.241 10.748) 16.471 2.344 ( 12.290 7.096 17.983) 22.908 2.751 ( 13.656 7.884 -15.149) 21.866 3.024 ( 8.420 4.861 -4.465) 10.699 4.058 ( 26.174 15.112 12.568) 32.732 4.855 ( 6.319 3.648 -10.937) 13.147 6.540 ( -1.354 -0.782 -0.106) 1.567 6.558 ( -1.553 -0.897 1.144) 2.127 7.648 ( -22.978 -13.266 8.833) 27.964 8.596 ( 8.092 4.672 -3.085) 9.840 9.766 ( -1.917 -1.107 -0.896) 2.388 10.055 ( -27.534 -15.897 -0.227) 31.794 11.836 ( -12.123 -6.999 2.448) 14.210 12.368 ( -4.238 -2.447 -2.716) 5.597 12.972 ( -14.048 -8.110 0.759) 16.239 13.364 ( -0.359 -0.207 -1.455) 1.513 14.905 ( 30.350 17.523 5.135) 35.419 16.208 ( -1.668 -0.963 -7.479) 7.723 ======================= Grid point 1454 (338/344) ======================= q-point: ( 0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 12.222 7.057 6.592) 15.577 2.602 ( 7.152 4.129 15.019) 17.139 3.124 ( 20.380 11.767 -18.885) 30.173 3.212 ( 8.745 5.049 -2.528) 10.410 4.658 ( 22.219 12.828 -1.021) 25.677 5.059 ( 13.916 8.035 4.676) 16.736 6.524 ( -1.661 -0.959 0.571) 2.001 6.535 ( 0.488 0.282 1.062) 1.202 7.245 ( -14.615 -8.438 12.825) 21.196 8.789 ( 9.288 5.363 -2.528) 11.019 9.382 ( -24.005 -13.859 -15.573) 31.794 9.764 ( -4.829 -2.788 10.556) 11.938 11.533 ( -14.557 -8.405 2.160) 16.948 12.218 ( -8.423 -4.863 0.012) 9.726 12.648 ( -13.287 -7.671 -0.774) 15.362 13.343 ( -0.991 -0.572 -1.268) 1.708 15.377 ( 8.342 4.816 12.228) 15.566 16.209 ( 5.282 3.050 -14.596) 15.819 ======================= Grid point 1467 (339/344) ======================= q-point: ( 0.47 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.000 8.862 2.934) 9.335 1.885 ( 0.000 19.476 12.679) 23.240 2.688 ( -0.000 -4.806 -1.392) 5.004 2.821 ( -0.000 5.783 -1.729) 6.036 3.505 ( 0.000 23.245 16.564) 28.543 4.756 ( -0.000 4.535 -15.407) 16.060 6.573 ( 0.000 -2.495 1.033) 2.701 6.603 ( -0.000 -0.806 -0.264) 0.848 8.207 ( -0.000 -16.183 -3.987) 16.667 8.410 ( -0.000 4.443 0.861) 4.526 9.763 ( 0.000 0.700 0.631) 0.942 10.791 ( 0.000 -47.752 5.781) 48.101 12.089 ( 0.000 -7.285 -0.843) 7.333 12.387 ( -0.000 4.513 -2.146) 4.997 13.261 ( 0.000 -9.577 -1.343) 9.671 13.347 ( 0.000 -0.358 0.632) 0.727 14.029 ( -0.000 49.906 -1.059) 49.917 16.280 ( 0.000 -6.935 0.165) 6.937 ======================= Grid point 1468 (340/344) ======================= q-point: ( 0.53 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 3.755 12.402 4.113) 13.595 2.280 ( 12.810 20.322 9.448) 25.813 2.639 ( 1.233 0.620 -5.674) 5.839 2.952 ( 6.009 8.205 -1.756) 10.320 3.930 ( 14.560 23.787 9.725) 29.536 4.795 ( 2.940 7.184 -9.362) 12.162 6.550 ( -0.428 -1.346 0.283) 1.440 6.572 ( -1.663 -1.681 -0.126) 2.368 7.879 ( -14.187 -17.128 0.154) 22.241 8.502 ( 4.351 4.648 -0.675) 6.402 9.768 ( 0.159 -1.620 1.254) 2.055 10.206 ( -17.494 -32.531 1.485) 36.967 11.942 ( -6.316 -8.902 0.202) 10.917 12.378 ( -1.641 -2.953 -1.694) 3.779 13.073 ( -8.427 -13.205 -0.177) 15.666 13.334 ( 0.182 -1.113 -0.242) 1.154 14.738 ( 21.600 39.891 0.321) 45.365 16.181 ( -2.281 -7.403 -1.010) 7.812 ======================= Grid point 1469 (341/344) ======================= q-point: ( 0.60 0.47 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 1688 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 7.578 13.814 3.740) 16.194 2.621 ( 2.717 6.799 14.995) 16.687 2.828 ( 18.757 13.456 -16.402) 28.319 3.157 ( 7.270 11.029 -1.666) 13.315 4.471 ( 18.091 21.332 -0.677) 27.979 4.953 ( 8.792 8.679 1.943) 12.506 6.526 ( -1.206 -1.934 0.579) 2.351 6.548 ( 0.408 1.034 0.213) 1.132 7.484 ( -15.576 -9.963 7.438) 19.930 8.645 ( 8.467 2.667 -2.357) 9.184 9.582 ( -21.842 -16.447 -12.433) 30.036 9.753 ( 0.449 -11.405 9.407) 14.791 11.710 ( -11.443 -7.283 1.350) 13.631 12.277 ( -4.569 -5.524 -0.094) 7.169 12.748 ( -11.624 -14.945 0.253) 18.935 13.330 ( 0.692 -0.976 -0.856) 1.471 15.378 ( 12.368 22.459 6.983) 26.574 16.078 ( 1.179 -5.900 -8.189) 10.162 ======================= Grid point 1483 (342/344) ======================= q-point: ( 0.53 0.53 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -0.000 11.840 -5.269) 12.959 2.457 ( -0.000 27.740 2.847) 27.886 2.627 ( 0.000 1.095 1.983) 2.265 2.989 ( -0.000 10.098 1.967) 10.287 4.096 ( -0.000 27.644 5.989) 28.285 4.830 ( -0.000 10.470 -6.848) 12.511 6.538 ( 0.000 -0.996 0.109) 1.002 6.570 ( -0.000 -1.891 -1.061) 2.168 7.744 ( -0.000 -23.403 -9.678) 25.325 8.564 ( 0.000 9.215 2.943) 9.674 9.728 ( 0.000 -9.386 6.142) 11.218 10.052 ( 0.000 -26.624 0.349) 26.626 11.861 ( 0.000 -13.872 -2.395) 14.077 12.357 ( 0.000 -4.509 -0.577) 4.546 12.984 ( 0.000 -16.357 -1.523) 16.427 13.348 ( 0.000 -0.439 1.488) 1.551 14.953 ( -0.000 39.091 -4.164) 39.312 16.141 ( 0.000 -6.431 5.391) 8.392 ======================= Grid point 1694 (343/344) ======================= q-point: ( 0.47 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 344 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 0.000 -0.000 5.209) 5.209 1.725 ( 0.000 -0.000 5.209) 5.209 2.760 ( -0.000 0.000 -2.453) 2.453 2.760 ( -0.000 0.000 -2.453) 2.453 3.285 ( 0.000 -0.000 14.690) 14.690 4.668 ( -0.000 0.000 -10.515) 10.515 6.609 ( 0.000 -0.000 0.374) 0.374 6.609 ( 0.000 -0.000 0.374) 0.374 8.371 ( -0.000 0.000 -0.694) 0.694 8.371 ( -0.000 0.000 -0.694) 0.694 9.751 ( 0.000 -0.000 0.404) 0.404 11.577 ( 0.000 -0.000 0.650) 0.650 12.157 ( 0.000 -0.000 0.483) 0.483 12.157 ( 0.000 -0.000 0.483) 0.483 13.354 ( -0.000 0.000 -0.281) 0.281 13.354 ( -0.000 0.000 -0.281) 0.281 13.406 ( -0.000 0.000 -0.494) 0.494 16.352 ( -0.000 0.000 -0.115) 0.115 ======================= Grid point 1695 (344/344) ======================= q-point: ( 0.53 0.47 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.35e-04 3.35e-04 Number of triplets: 904 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 5.798 3.347 6.379) 9.247 1.966 ( 17.943 10.359 -2.250) 20.841 2.668 ( -4.276 -2.469 1.152) 5.070 2.826 ( 5.769 3.331 -2.761) 7.211 3.582 ( 19.501 11.259 3.790) 22.835 4.684 ( 3.620 2.090 -3.099) 5.203 6.581 ( -2.137 -1.234 -0.575) 2.534 6.597 ( -1.018 -0.588 0.882) 1.469 8.170 ( -16.305 -9.414 3.093) 19.080 8.425 ( 4.651 2.685 -2.057) 5.751 9.766 ( 0.885 0.511 -0.023) 1.023 10.825 ( -39.889 -23.030 -0.798) 46.067 12.075 ( -6.947 -4.011 1.667) 8.193 12.380 ( 3.531 2.039 -0.844) 4.164 13.250 ( -8.693 -5.019 0.811) 10.070 13.356 ( 0.090 0.052 -1.088) 1.093 14.021 ( 42.653 24.626 0.368) 49.253 16.285 ( -5.159 -2.979 -0.874) 6.021 =================== 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 10.0 655.190 655.190 7601.243 -0.000 0.000 0.000 3/60750 20.0 593.400 593.400 1464.089 -0.000 0.000 0.000 3/60750 30.0 330.951 330.951 441.274 0.000 -0.000 0.000 3/60750 40.0 185.681 185.681 190.159 0.000 -0.000 0.000 3/60750 50.0 114.595 114.595 101.977 0.000 -0.000 0.000 3/60750 60.0 78.491 78.491 63.854 0.000 -0.000 0.000 3/60750 70.0 58.207 58.207 44.539 0.000 -0.000 0.000 3/60750 80.0 45.665 45.665 33.475 0.000 -0.000 0.000 3/60750 90.0 37.307 37.307 26.523 0.000 -0.000 0.000 3/60750 100.0 31.411 31.411 21.840 0.000 -0.000 0.000 3/60750 110.0 27.068 27.068 18.511 0.000 -0.000 0.000 3/60750 120.0 23.756 23.756 16.042 0.000 -0.000 0.000 3/60750 130.0 21.160 21.160 14.148 0.000 -0.000 0.000 3/60750 140.0 19.077 19.077 12.655 0.000 -0.000 0.000 3/60750 150.0 17.373 17.373 11.450 0.000 -0.000 0.000 3/60750 160.0 15.955 15.955 10.458 0.000 -0.000 0.000 3/60750 170.0 14.757 14.757 9.628 0.000 -0.000 0.000 3/60750 180.0 13.734 13.734 8.925 0.000 -0.000 0.000 3/60750 190.0 12.848 12.848 8.320 0.000 -0.000 0.000 3/60750 200.0 12.075 12.075 7.795 0.000 -0.000 0.000 3/60750 210.0 11.394 11.394 7.335 0.000 -0.000 0.000 3/60750 220.0 10.789 10.789 6.928 0.000 -0.000 0.000 3/60750 230.0 10.248 10.248 6.566 0.000 -0.000 0.000 3/60750 240.0 9.761 9.761 6.242 0.000 -0.000 0.000 3/60750 250.0 9.320 9.320 5.949 0.000 -0.000 0.000 3/60750 260.0 8.920 8.920 5.684 0.000 -0.000 0.000 3/60750 270.0 8.554 8.554 5.442 0.000 -0.000 0.000 3/60750 280.0 8.218 8.218 5.221 0.000 -0.000 0.000 3/60750 290.0 7.908 7.908 5.018 0.000 -0.000 0.000 3/60750 300.0 7.622 7.622 4.831 0.000 -0.000 0.000 3/60750 310.0 7.357 7.357 4.657 0.000 -0.000 0.000 3/60750 320.0 7.110 7.110 4.496 0.000 -0.000 0.000 3/60750 330.0 6.880 6.880 4.347 0.000 -0.000 0.000 3/60750 340.0 6.664 6.664 4.207 0.000 -0.000 0.000 3/60750 350.0 6.463 6.463 4.076 0.000 -0.000 0.000 3/60750 360.0 6.273 6.273 3.954 0.000 -0.000 0.000 3/60750 370.0 6.095 6.095 3.838 0.000 -0.000 0.000 3/60750 380.0 5.926 5.926 3.730 0.000 -0.000 0.000 3/60750 390.0 5.767 5.767 3.628 0.000 -0.000 0.000 3/60750 400.0 5.617 5.617 3.531 0.000 -0.000 0.000 3/60750 410.0 5.474 5.474 3.439 0.000 -0.000 0.000 3/60750 420.0 5.339 5.339 3.352 0.000 -0.000 0.000 3/60750 430.0 5.210 5.210 3.270 0.000 -0.000 0.000 3/60750 440.0 5.088 5.088 3.192 0.000 -0.000 0.000 3/60750 450.0 4.971 4.971 3.117 0.000 -0.000 0.000 3/60750 460.0 4.860 4.860 3.046 0.000 -0.000 0.000 3/60750 470.0 4.753 4.753 2.978 0.000 -0.000 0.000 3/60750 480.0 4.651 4.651 2.913 0.000 -0.000 0.000 3/60750 490.0 4.554 4.554 2.851 0.000 -0.000 0.000 3/60750 500.0 4.461 4.461 2.792 0.000 -0.000 0.000 3/60750 510.0 4.371 4.371 2.735 0.000 -0.000 0.000 3/60750 520.0 4.285 4.285 2.680 0.000 -0.000 0.000 3/60750 530.0 4.203 4.203 2.628 0.000 -0.000 0.000 3/60750 540.0 4.123 4.123 2.577 0.000 -0.000 0.000 3/60750 550.0 4.047 4.047 2.529 0.000 -0.000 0.000 3/60750 560.0 3.973 3.973 2.482 0.000 -0.000 0.000 3/60750 570.0 3.902 3.902 2.437 0.000 -0.000 0.000 3/60750 580.0 3.834 3.834 2.394 0.000 -0.000 0.000 3/60750 590.0 3.768 3.768 2.352 0.000 -0.000 0.000 3/60750 600.0 3.704 3.704 2.312 0.000 -0.000 0.000 3/60750 610.0 3.642 3.642 2.273 0.000 -0.000 0.000 3/60750 620.0 3.583 3.583 2.235 0.000 -0.000 0.000 3/60750 630.0 3.525 3.525 2.199 0.000 -0.000 0.000 3/60750 640.0 3.469 3.469 2.164 0.000 -0.000 0.000 3/60750 650.0 3.415 3.415 2.130 0.000 -0.000 0.000 3/60750 660.0 3.363 3.363 2.097 0.000 -0.000 0.000 3/60750 670.0 3.312 3.312 2.065 0.000 -0.000 0.000 3/60750 680.0 3.263 3.263 2.034 0.000 -0.000 0.000 3/60750 690.0 3.215 3.215 2.004 0.000 -0.000 0.000 3/60750 700.0 3.168 3.168 1.975 0.000 -0.000 0.000 3/60750 710.0 3.123 3.123 1.946 0.000 -0.000 0.000 3/60750 720.0 3.080 3.080 1.919 0.000 -0.000 0.000 3/60750 730.0 3.037 3.037 1.892 0.000 -0.000 0.000 3/60750 740.0 2.996 2.996 1.866 0.000 -0.000 0.000 3/60750 750.0 2.955 2.955 1.841 0.000 -0.000 0.000 3/60750 760.0 2.916 2.916 1.816 0.000 -0.000 0.000 3/60750 770.0 2.878 2.878 1.792 0.000 -0.000 0.000 3/60750 780.0 2.841 2.841 1.769 0.000 -0.000 0.000 3/60750 790.0 2.804 2.804 1.746 0.000 -0.000 0.000 3/60750 800.0 2.769 2.769 1.724 0.000 -0.000 0.000 3/60750 810.0 2.735 2.735 1.702 0.000 -0.000 0.000 3/60750 820.0 2.701 2.701 1.681 0.000 -0.000 0.000 3/60750 830.0 2.668 2.668 1.661 0.000 -0.000 0.000 3/60750 840.0 2.636 2.636 1.641 0.000 -0.000 0.000 3/60750 850.0 2.605 2.605 1.621 0.000 -0.000 0.000 3/60750 860.0 2.575 2.575 1.602 0.000 -0.000 0.000 3/60750 870.0 2.545 2.545 1.583 0.000 -0.000 0.000 3/60750 880.0 2.516 2.516 1.565 0.000 -0.000 0.000 3/60750 890.0 2.488 2.488 1.547 0.000 -0.000 0.000 3/60750 900.0 2.460 2.460 1.530 0.000 -0.000 0.000 3/60750 910.0 2.433 2.433 1.513 0.000 -0.000 0.000 3/60750 920.0 2.406 2.406 1.496 0.000 -0.000 0.000 3/60750 930.0 2.380 2.380 1.480 0.000 -0.000 0.000 3/60750 940.0 2.355 2.355 1.464 0.000 -0.000 0.000 3/60750 950.0 2.330 2.330 1.448 0.000 -0.000 0.000 3/60750 960.0 2.305 2.305 1.433 0.000 -0.000 0.000 3/60750 970.0 2.281 2.281 1.418 0.000 -0.000 0.000 3/60750 980.0 2.258 2.258 1.404 0.000 -0.000 0.000 3/60750 990.0 2.235 2.235 1.389 0.000 -0.000 0.000 3/60750 1000.0 2.213 2.213 1.375 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 2026-01-07 23:21:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|