----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:48:34]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.834246765000200 -4.858674870000000 0.000000000000000 b 2.834246765000200 4.858674870000000 0.000000000000000 c -1.974311876234992 0.000000000000000 5.232671148130544 Atomic positions (fractional): *1 O 0.79597629554785 0.79597629554785 0.20464674299342 15.999 *2 O 0.34811420206431 0.07019459671792 0.21423252886414 15.999 3 O 0.92980540328208 0.65188579793569 0.78576747113586 15.999 4 O 0.65188579793569 0.92980540328208 0.78576747113586 15.999 5 O 0.07019459671792 0.34811420206431 0.21423252886414 15.999 6 O 0.20402370445215 0.20402370445215 0.79535325700658 15.999 *7 Na 0.82783797712366 0.17216202287634 0.50000000000000 22.990 *8 Na 0.33365694293839 0.66634305706161 0.00000000000000 22.990 9 Na 0.66634305706161 0.33365694293839 0.00000000000000 22.990 *10 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 11 Na 0.17216202287634 0.82783797712366 0.50000000000000 22.990 *12 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.668493530000400 0.000000000000000 0.000000000000000 b 0.000000000000000 9.717349740000000 0.000000000000000 c -1.974311876234992 0.000000000000000 5.232671148130544 Atomic positions (fractional): *1 O 0.79597629554785 0.00000000000000 0.20464674299342 15.999 > 1 *2 O 0.20915439939112 0.86104019732681 0.21423252886414 15.999 > 2 3 O 0.79084560060888 0.86104019732681 0.78576747113586 15.999 > 3 4 O 0.79084560060888 0.13895980267319 0.78576747113586 15.999 > 4 5 O 0.20915439939112 0.13895980267319 0.21423252886414 15.999 > 5 6 O 0.20402370445215 0.00000000000000 0.79535325700658 15.999 > 6 7 O 0.29597629554785 0.50000000000000 0.20464674299342 15.999 > 1 8 O 0.70915439939112 0.36104019732681 0.21423252886414 15.999 > 2 9 O 0.29084560060888 0.36104019732681 0.78576747113586 15.999 > 3 10 O 0.29084560060888 0.63895980267319 0.78576747113586 15.999 > 4 11 O 0.70915439939112 0.63895980267319 0.21423252886414 15.999 > 5 12 O 0.70402370445215 0.50000000000000 0.79535325700658 15.999 > 6 *13 Na 0.50000000000000 0.67216202287634 0.50000000000000 22.990 > 7 *14 Na 0.50000000000000 0.16634305706161 0.00000000000000 22.990 > 8 15 Na 0.50000000000000 0.83365694293839 0.00000000000000 22.990 > 9 *16 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 10 17 Na 0.50000000000000 0.32783797712366 0.50000000000000 22.990 > 11 18 Na 0.00000000000000 0.17216202287634 0.50000000000000 22.990 > 7 19 Na 0.00000000000000 0.66634305706161 0.00000000000000 22.990 > 8 20 Na 0.00000000000000 0.33365694293839 0.00000000000000 22.990 > 9 21 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 10 22 Na 0.00000000000000 0.82783797712366 0.50000000000000 22.990 > 11 *23 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 12 24 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.336987060000800 0.000000000000000 0.000000000000000 b 0.000000000000000 9.717349740000000 0.000000000000000 c -3.948623752469984 0.000000000000000 10.465342296261088 Atomic positions (fractional): *1 O 0.39798814777393 0.00000000000000 0.10232337149671 15.999 > 1 2 O 0.89798814777393 0.00000000000000 0.10232337149671 15.999 > 1 3 O 0.39798814777393 0.00000000000000 0.60232337149671 15.999 > 1 4 O 0.89798814777393 0.00000000000000 0.60232337149671 15.999 > 1 *5 O 0.10457719969556 0.86104019732681 0.10711626443207 15.999 > 2 6 O 0.60457719969556 0.86104019732681 0.10711626443207 15.999 > 2 7 O 0.10457719969556 0.86104019732681 0.60711626443207 15.999 > 2 8 O 0.60457719969556 0.86104019732681 0.60711626443207 15.999 > 2 9 O 0.39542280030444 0.86104019732681 0.39288373556793 15.999 > 3 10 O 0.89542280030444 0.86104019732681 0.39288373556793 15.999 > 3 11 O 0.39542280030444 0.86104019732681 0.89288373556793 15.999 > 3 12 O 0.89542280030444 0.86104019732681 0.89288373556793 15.999 > 3 13 O 0.39542280030444 0.13895980267319 0.39288373556793 15.999 > 4 14 O 0.89542280030444 0.13895980267319 0.39288373556793 15.999 > 4 15 O 0.39542280030444 0.13895980267319 0.89288373556793 15.999 > 4 16 O 0.89542280030444 0.13895980267319 0.89288373556793 15.999 > 4 17 O 0.10457719969556 0.13895980267319 0.10711626443207 15.999 > 5 18 O 0.60457719969556 0.13895980267319 0.10711626443207 15.999 > 5 19 O 0.10457719969556 0.13895980267319 0.60711626443207 15.999 > 5 20 O 0.60457719969556 0.13895980267319 0.60711626443207 15.999 > 5 21 O 0.10201185222607 0.00000000000000 0.39767662850329 15.999 > 6 22 O 0.60201185222607 0.00000000000000 0.39767662850329 15.999 > 6 23 O 0.10201185222607 0.00000000000000 0.89767662850329 15.999 > 6 24 O 0.60201185222607 0.00000000000000 0.89767662850329 15.999 > 6 25 O 0.14798814777393 0.50000000000000 0.10232337149671 15.999 > 1 26 O 0.64798814777393 0.50000000000000 0.10232337149671 15.999 > 1 27 O 0.14798814777393 0.50000000000000 0.60232337149671 15.999 > 1 28 O 0.64798814777393 0.50000000000000 0.60232337149671 15.999 > 1 29 O 0.35457719969556 0.36104019732681 0.10711626443207 15.999 > 2 30 O 0.85457719969556 0.36104019732681 0.10711626443207 15.999 > 2 31 O 0.35457719969556 0.36104019732681 0.60711626443207 15.999 > 2 32 O 0.85457719969556 0.36104019732681 0.60711626443207 15.999 > 2 33 O 0.14542280030444 0.36104019732681 0.39288373556793 15.999 > 3 34 O 0.64542280030444 0.36104019732681 0.39288373556793 15.999 > 3 35 O 0.14542280030444 0.36104019732681 0.89288373556793 15.999 > 3 36 O 0.64542280030444 0.36104019732681 0.89288373556793 15.999 > 3 37 O 0.14542280030444 0.63895980267319 0.39288373556793 15.999 > 4 38 O 0.64542280030444 0.63895980267319 0.39288373556793 15.999 > 4 39 O 0.14542280030444 0.63895980267319 0.89288373556793 15.999 > 4 40 O 0.64542280030444 0.63895980267319 0.89288373556793 15.999 > 4 41 O 0.35457719969556 0.63895980267319 0.10711626443207 15.999 > 5 42 O 0.85457719969556 0.63895980267319 0.10711626443207 15.999 > 5 43 O 0.35457719969556 0.63895980267319 0.60711626443207 15.999 > 5 44 O 0.85457719969556 0.63895980267319 0.60711626443207 15.999 > 5 45 O 0.35201185222607 0.50000000000000 0.39767662850329 15.999 > 6 46 O 0.85201185222607 0.50000000000000 0.39767662850329 15.999 > 6 47 O 0.35201185222607 0.50000000000000 0.89767662850329 15.999 > 6 48 O 0.85201185222607 0.50000000000000 0.89767662850329 15.999 > 6 *49 Na 0.25000000000000 0.67216202287634 0.25000000000000 22.990 > 7 50 Na 0.75000000000000 0.67216202287634 0.25000000000000 22.990 > 7 51 Na 0.25000000000000 0.67216202287634 0.75000000000000 22.990 > 7 52 Na 0.75000000000000 0.67216202287634 0.75000000000000 22.990 > 7 *53 Na 0.25000000000000 0.16634305706161 0.00000000000000 22.990 > 8 54 Na 0.75000000000000 0.16634305706161 0.00000000000000 22.990 > 8 55 Na 0.25000000000000 0.16634305706161 0.50000000000000 22.990 > 8 56 Na 0.75000000000000 0.16634305706161 0.50000000000000 22.990 > 8 57 Na 0.25000000000000 0.83365694293839 0.00000000000000 22.990 > 9 58 Na 0.75000000000000 0.83365694293839 0.00000000000000 22.990 > 9 59 Na 0.25000000000000 0.83365694293839 0.50000000000000 22.990 > 9 60 Na 0.75000000000000 0.83365694293839 0.50000000000000 22.990 > 9 *61 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 10 62 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 10 63 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 10 64 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 10 65 Na 0.25000000000000 0.32783797712366 0.25000000000000 22.990 > 11 66 Na 0.75000000000000 0.32783797712366 0.25000000000000 22.990 > 11 67 Na 0.25000000000000 0.32783797712366 0.75000000000000 22.990 > 11 68 Na 0.75000000000000 0.32783797712366 0.75000000000000 22.990 > 11 69 Na 0.00000000000000 0.17216202287634 0.25000000000000 22.990 > 7 70 Na 0.50000000000000 0.17216202287634 0.25000000000000 22.990 > 7 71 Na 0.00000000000000 0.17216202287634 0.75000000000000 22.990 > 7 72 Na 0.50000000000000 0.17216202287634 0.75000000000000 22.990 > 7 73 Na 0.00000000000000 0.66634305706161 0.00000000000000 22.990 > 8 74 Na 0.50000000000000 0.66634305706161 0.00000000000000 22.990 > 8 75 Na 0.00000000000000 0.66634305706161 0.50000000000000 22.990 > 8 76 Na 0.50000000000000 0.66634305706161 0.50000000000000 22.990 > 8 77 Na 0.00000000000000 0.33365694293839 0.00000000000000 22.990 > 9 78 Na 0.50000000000000 0.33365694293839 0.00000000000000 22.990 > 9 79 Na 0.00000000000000 0.33365694293839 0.50000000000000 22.990 > 9 80 Na 0.50000000000000 0.33365694293839 0.50000000000000 22.990 > 9 81 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 10 82 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 10 83 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 10 84 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 10 85 Na 0.00000000000000 0.82783797712366 0.25000000000000 22.990 > 11 86 Na 0.50000000000000 0.82783797712366 0.25000000000000 22.990 > 11 87 Na 0.00000000000000 0.82783797712366 0.75000000000000 22.990 > 11 88 Na 0.50000000000000 0.82783797712366 0.75000000000000 22.990 > 11 *89 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 12 90 Re 0.50000000000000 0.00000000000000 0.00000000000000 186.207 > 12 91 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 12 92 Re 0.50000000000000 0.00000000000000 0.50000000000000 186.207 > 12 93 Re 0.25000000000000 0.50000000000000 0.00000000000000 186.207 > 12 94 Re 0.75000000000000 0.50000000000000 0.00000000000000 186.207 > 12 95 Re 0.25000000000000 0.50000000000000 0.50000000000000 186.207 > 12 96 Re 0.75000000000000 0.50000000000000 0.50000000000000 186.207 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7736927 0.0000000 -0.0203641 0.0000000 3.7372342 0.0000000 -0.0203633 0.0000000 3.6514837 -------------------------- Born effective charges -------------------------- 1 O -2.8396123 0.0000000 1.0915783 0.0000000 -1.1523797 0.0000000 1.0019084 0.0000000 -1.9163949 2 O -1.6145612 0.7147581 -0.5538275 0.6754904 -2.4678348 0.9623341 -0.5097321 0.8707264 -1.9693049 3 O -1.6145612 -0.7147581 -0.5538275 -0.6754904 -2.4678348 -0.9623341 -0.5097321 -0.8707264 -1.9693049 4 O -1.6145612 0.7147581 -0.5538275 0.6754904 -2.4678348 0.9623341 -0.5097321 0.8707264 -1.9693049 5 O -1.6145612 -0.7147581 -0.5538275 -0.6754904 -2.4678348 -0.9623341 -0.5097321 -0.8707264 -1.9693049 6 O -2.8396123 0.0000000 1.0915783 0.0000000 -1.1523797 0.0000000 1.0019084 0.0000000 -1.9163949 7 Na 0.7911167 0.0000000 -0.0630458 0.0000000 1.2109854 0.0000000 -0.0250251 0.0000000 1.4881885 8 Na 1.2369806 0.0000000 0.0269309 0.0000000 1.2206919 0.0000000 -0.0075449 0.0000000 0.4943623 9 Na 1.2369806 0.0000000 0.0269309 0.0000000 1.2206919 0.0000000 -0.0075449 0.0000000 0.4943623 10 Na 1.3708211 0.0000000 0.0870997 0.0000000 0.5620686 0.0000000 0.0681085 0.0000000 1.4628378 11 Na 0.7911167 0.0000000 -0.0630458 0.0000000 1.2109854 0.0000000 -0.0250251 0.0000000 1.4881885 12 Re 6.7104540 0.0000000 0.0172835 0.0000000 6.7506752 0.0000000 0.0321430 0.0000000 6.2820701 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6444/6444 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1438 Number of blocks in projector: 1438 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1438, 1405), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (340, 329), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.595 Solver_block: 200 / 400 - Time: 1.578 Solver_block: 300 / 400 - Time: 1.576 Solver_block: 400 / 400 - Time: 1.580 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.362 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6444/6444 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1438 Number of blocks in projector: 1438 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 206 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 206 Use standard eigh solver. Tree of FC basis block matrices: - (1438, 1405), data: False |-- (206, 200), data: True |-- (206, 200), data: True |-- (206, 200), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (340, 329), 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 22:48:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:48:55]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.834246765000200 -4.858674870000000 0.000000000000000 b 2.834246765000200 4.858674870000000 0.000000000000000 c -1.974311876234992 0.000000000000000 5.232671148130544 Atomic positions (fractional): 1 O 0.79597629554785 0.79597629554785 0.20464674299342 15.999 2 O 0.34811420206431 0.07019459671792 0.21423252886414 15.999 3 O 0.92980540328208 0.65188579793569 0.78576747113586 15.999 4 O 0.65188579793569 0.92980540328208 0.78576747113586 15.999 5 O 0.07019459671792 0.34811420206431 0.21423252886414 15.999 6 O 0.20402370445215 0.20402370445215 0.79535325700658 15.999 7 Na 0.82783797712366 0.17216202287634 0.50000000000000 22.990 8 Na 0.33365694293839 0.66634305706161 0.00000000000000 22.990 9 Na 0.66634305706161 0.33365694293839 0.00000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 11 Na 0.17216202287634 0.82783797712366 0.50000000000000 22.990 12 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.336987060000800 0.000000000000000 0.000000000000000 b 0.000000000000000 9.717349740000000 0.000000000000000 c -3.948623752469984 0.000000000000000 10.465342296261088 Atomic positions (fractional): 1 O 0.39798814777393 0.00000000000000 0.10232337149671 15.999 > 1 2 O 0.89798814777393 0.00000000000000 0.10232337149671 15.999 > 1 3 O 0.39798814777393 0.00000000000000 0.60232337149671 15.999 > 1 4 O 0.89798814777393 0.00000000000000 0.60232337149671 15.999 > 1 5 O 0.10457719969556 0.86104019732681 0.10711626443207 15.999 > 5 6 O 0.60457719969556 0.86104019732681 0.10711626443207 15.999 > 5 7 O 0.10457719969556 0.86104019732681 0.60711626443207 15.999 > 5 8 O 0.60457719969556 0.86104019732681 0.60711626443207 15.999 > 5 9 O 0.39542280030444 0.86104019732681 0.39288373556793 15.999 > 9 10 O 0.89542280030444 0.86104019732681 0.39288373556793 15.999 > 9 11 O 0.39542280030444 0.86104019732681 0.89288373556793 15.999 > 9 12 O 0.89542280030444 0.86104019732681 0.89288373556793 15.999 > 9 13 O 0.39542280030444 0.13895980267319 0.39288373556793 15.999 > 13 14 O 0.89542280030444 0.13895980267319 0.39288373556793 15.999 > 13 15 O 0.39542280030444 0.13895980267319 0.89288373556793 15.999 > 13 16 O 0.89542280030444 0.13895980267319 0.89288373556793 15.999 > 13 17 O 0.10457719969556 0.13895980267319 0.10711626443207 15.999 > 17 18 O 0.60457719969556 0.13895980267319 0.10711626443207 15.999 > 17 19 O 0.10457719969556 0.13895980267319 0.60711626443207 15.999 > 17 20 O 0.60457719969556 0.13895980267319 0.60711626443207 15.999 > 17 21 O 0.10201185222607 0.00000000000000 0.39767662850329 15.999 > 21 22 O 0.60201185222607 0.00000000000000 0.39767662850329 15.999 > 21 23 O 0.10201185222607 0.00000000000000 0.89767662850329 15.999 > 21 24 O 0.60201185222607 0.00000000000000 0.89767662850329 15.999 > 21 25 O 0.14798814777393 0.50000000000000 0.10232337149671 15.999 > 1 26 O 0.64798814777393 0.50000000000000 0.10232337149671 15.999 > 1 27 O 0.14798814777393 0.50000000000000 0.60232337149671 15.999 > 1 28 O 0.64798814777393 0.50000000000000 0.60232337149671 15.999 > 1 29 O 0.35457719969556 0.36104019732681 0.10711626443207 15.999 > 5 30 O 0.85457719969556 0.36104019732681 0.10711626443207 15.999 > 5 31 O 0.35457719969556 0.36104019732681 0.60711626443207 15.999 > 5 32 O 0.85457719969556 0.36104019732681 0.60711626443207 15.999 > 5 33 O 0.14542280030444 0.36104019732681 0.39288373556793 15.999 > 9 34 O 0.64542280030444 0.36104019732681 0.39288373556793 15.999 > 9 35 O 0.14542280030444 0.36104019732681 0.89288373556793 15.999 > 9 36 O 0.64542280030444 0.36104019732681 0.89288373556793 15.999 > 9 37 O 0.14542280030444 0.63895980267319 0.39288373556793 15.999 > 13 38 O 0.64542280030444 0.63895980267319 0.39288373556793 15.999 > 13 39 O 0.14542280030444 0.63895980267319 0.89288373556793 15.999 > 13 40 O 0.64542280030444 0.63895980267319 0.89288373556793 15.999 > 13 41 O 0.35457719969556 0.63895980267319 0.10711626443207 15.999 > 17 42 O 0.85457719969556 0.63895980267319 0.10711626443207 15.999 > 17 43 O 0.35457719969556 0.63895980267319 0.60711626443207 15.999 > 17 44 O 0.85457719969556 0.63895980267319 0.60711626443207 15.999 > 17 45 O 0.35201185222607 0.50000000000000 0.39767662850329 15.999 > 21 46 O 0.85201185222607 0.50000000000000 0.39767662850329 15.999 > 21 47 O 0.35201185222607 0.50000000000000 0.89767662850329 15.999 > 21 48 O 0.85201185222607 0.50000000000000 0.89767662850329 15.999 > 21 49 Na 0.25000000000000 0.67216202287634 0.25000000000000 22.990 > 49 50 Na 0.75000000000000 0.67216202287634 0.25000000000000 22.990 > 49 51 Na 0.25000000000000 0.67216202287634 0.75000000000000 22.990 > 49 52 Na 0.75000000000000 0.67216202287634 0.75000000000000 22.990 > 49 53 Na 0.25000000000000 0.16634305706161 0.00000000000000 22.990 > 53 54 Na 0.75000000000000 0.16634305706161 0.00000000000000 22.990 > 53 55 Na 0.25000000000000 0.16634305706161 0.50000000000000 22.990 > 53 56 Na 0.75000000000000 0.16634305706161 0.50000000000000 22.990 > 53 57 Na 0.25000000000000 0.83365694293839 0.00000000000000 22.990 > 57 58 Na 0.75000000000000 0.83365694293839 0.00000000000000 22.990 > 57 59 Na 0.25000000000000 0.83365694293839 0.50000000000000 22.990 > 57 60 Na 0.75000000000000 0.83365694293839 0.50000000000000 22.990 > 57 61 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 61 62 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 61 63 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 61 64 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 61 65 Na 0.25000000000000 0.32783797712366 0.25000000000000 22.990 > 65 66 Na 0.75000000000000 0.32783797712366 0.25000000000000 22.990 > 65 67 Na 0.25000000000000 0.32783797712366 0.75000000000000 22.990 > 65 68 Na 0.75000000000000 0.32783797712366 0.75000000000000 22.990 > 65 69 Na 0.00000000000000 0.17216202287634 0.25000000000000 22.990 > 49 70 Na 0.50000000000000 0.17216202287634 0.25000000000000 22.990 > 49 71 Na 0.00000000000000 0.17216202287634 0.75000000000000 22.990 > 49 72 Na 0.50000000000000 0.17216202287634 0.75000000000000 22.990 > 49 73 Na 0.00000000000000 0.66634305706161 0.00000000000000 22.990 > 53 74 Na 0.50000000000000 0.66634305706161 0.00000000000000 22.990 > 53 75 Na 0.00000000000000 0.66634305706161 0.50000000000000 22.990 > 53 76 Na 0.50000000000000 0.66634305706161 0.50000000000000 22.990 > 53 77 Na 0.00000000000000 0.33365694293839 0.00000000000000 22.990 > 57 78 Na 0.50000000000000 0.33365694293839 0.00000000000000 22.990 > 57 79 Na 0.00000000000000 0.33365694293839 0.50000000000000 22.990 > 57 80 Na 0.50000000000000 0.33365694293839 0.50000000000000 22.990 > 57 81 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 61 82 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 61 83 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 61 84 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 61 85 Na 0.00000000000000 0.82783797712366 0.25000000000000 22.990 > 65 86 Na 0.50000000000000 0.82783797712366 0.25000000000000 22.990 > 65 87 Na 0.00000000000000 0.82783797712366 0.75000000000000 22.990 > 65 88 Na 0.50000000000000 0.82783797712366 0.75000000000000 22.990 > 65 89 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 89 90 Re 0.50000000000000 0.00000000000000 0.00000000000000 186.207 > 89 91 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 89 92 Re 0.50000000000000 0.00000000000000 0.50000000000000 186.207 > 89 93 Re 0.25000000000000 0.50000000000000 0.00000000000000 186.207 > 89 94 Re 0.75000000000000 0.50000000000000 0.00000000000000 186.207 > 89 95 Re 0.25000000000000 0.50000000000000 0.50000000000000 186.207 > 89 96 Re 0.75000000000000 0.50000000000000 0.50000000000000 186.207 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7736927 0.0000000 -0.0203641 0.0000000 3.7372342 0.0000000 -0.0203633 0.0000000 3.6514837 -------------------------- Born effective charges -------------------------- 1 O -2.8396123 0.0000000 1.0915783 0.0000000 -1.1523797 0.0000000 1.0019084 0.0000000 -1.9163949 2 O -1.6145612 0.7147581 -0.5538275 0.6754904 -2.4678348 0.9623341 -0.5097321 0.8707264 -1.9693049 3 O -1.6145612 -0.7147581 -0.5538275 -0.6754904 -2.4678348 -0.9623341 -0.5097321 -0.8707264 -1.9693049 4 O -1.6145612 0.7147581 -0.5538275 0.6754904 -2.4678348 0.9623341 -0.5097321 0.8707264 -1.9693049 5 O -1.6145612 -0.7147581 -0.5538275 -0.6754904 -2.4678348 -0.9623341 -0.5097321 -0.8707264 -1.9693049 6 O -2.8396123 0.0000000 1.0915783 0.0000000 -1.1523797 0.0000000 1.0019084 0.0000000 -1.9163949 7 Na 0.7911167 0.0000000 -0.0630458 0.0000000 1.2109854 0.0000000 -0.0250251 0.0000000 1.4881885 8 Na 1.2369806 0.0000000 0.0269309 0.0000000 1.2206919 0.0000000 -0.0075449 0.0000000 0.4943623 9 Na 1.2369806 0.0000000 0.0269309 0.0000000 1.2206919 0.0000000 -0.0075449 0.0000000 0.4943623 10 Na 1.3708211 0.0000000 0.0870997 0.0000000 0.5620686 0.0000000 0.0681085 0.0000000 1.4628378 11 Na 0.7911167 0.0000000 -0.0630458 0.0000000 1.2109854 0.0000000 -0.0250251 0.0000000 1.4881885 12 Re 6.7104540 0.0000000 0.0172835 0.0000000 6.7506752 0.0000000 0.0321430 0.0000000 6.2820701 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyx) 0.00000003 (yyx) 0.00000003 (yxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000008 (xz) -0.00000008 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:49:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:49:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.834246765000200 -4.858674870000000 0.000000000000000 b 2.834246765000200 4.858674870000000 0.000000000000000 c -1.974311876234992 0.000000000000000 5.232671148130544 Atomic positions (fractional): 1 O 0.79597629554785 0.79597629554785 0.20464674299342 15.999 2 O 0.34811420206431 0.07019459671792 0.21423252886414 15.999 3 O 0.92980540328208 0.65188579793569 0.78576747113586 15.999 4 O 0.65188579793569 0.92980540328208 0.78576747113586 15.999 5 O 0.07019459671792 0.34811420206431 0.21423252886414 15.999 6 O 0.20402370445215 0.20402370445215 0.79535325700658 15.999 7 Na 0.82783797712366 0.17216202287634 0.50000000000000 22.990 8 Na 0.33365694293839 0.66634305706161 0.00000000000000 22.990 9 Na 0.66634305706161 0.33365694293839 0.00000000000000 22.990 10 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 11 Na 0.17216202287634 0.82783797712366 0.50000000000000 22.990 12 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.336987060000800 0.000000000000000 0.000000000000000 b 0.000000000000000 9.717349740000000 0.000000000000000 c -3.948623752469984 0.000000000000000 10.465342296261088 Atomic positions (fractional): 1 O 0.39798814777393 0.00000000000000 0.10232337149671 15.999 > 1 2 O 0.89798814777393 0.00000000000000 0.10232337149671 15.999 > 1 3 O 0.39798814777393 0.00000000000000 0.60232337149671 15.999 > 1 4 O 0.89798814777393 0.00000000000000 0.60232337149671 15.999 > 1 5 O 0.10457719969556 0.86104019732681 0.10711626443207 15.999 > 5 6 O 0.60457719969556 0.86104019732681 0.10711626443207 15.999 > 5 7 O 0.10457719969556 0.86104019732681 0.60711626443207 15.999 > 5 8 O 0.60457719969556 0.86104019732681 0.60711626443207 15.999 > 5 9 O 0.39542280030444 0.86104019732681 0.39288373556793 15.999 > 9 10 O 0.89542280030444 0.86104019732681 0.39288373556793 15.999 > 9 11 O 0.39542280030444 0.86104019732681 0.89288373556793 15.999 > 9 12 O 0.89542280030444 0.86104019732681 0.89288373556793 15.999 > 9 13 O 0.39542280030444 0.13895980267319 0.39288373556793 15.999 > 13 14 O 0.89542280030444 0.13895980267319 0.39288373556793 15.999 > 13 15 O 0.39542280030444 0.13895980267319 0.89288373556793 15.999 > 13 16 O 0.89542280030444 0.13895980267319 0.89288373556793 15.999 > 13 17 O 0.10457719969556 0.13895980267319 0.10711626443207 15.999 > 17 18 O 0.60457719969556 0.13895980267319 0.10711626443207 15.999 > 17 19 O 0.10457719969556 0.13895980267319 0.60711626443207 15.999 > 17 20 O 0.60457719969556 0.13895980267319 0.60711626443207 15.999 > 17 21 O 0.10201185222607 0.00000000000000 0.39767662850329 15.999 > 21 22 O 0.60201185222607 0.00000000000000 0.39767662850329 15.999 > 21 23 O 0.10201185222607 0.00000000000000 0.89767662850329 15.999 > 21 24 O 0.60201185222607 0.00000000000000 0.89767662850329 15.999 > 21 25 O 0.14798814777393 0.50000000000000 0.10232337149671 15.999 > 1 26 O 0.64798814777393 0.50000000000000 0.10232337149671 15.999 > 1 27 O 0.14798814777393 0.50000000000000 0.60232337149671 15.999 > 1 28 O 0.64798814777393 0.50000000000000 0.60232337149671 15.999 > 1 29 O 0.35457719969556 0.36104019732681 0.10711626443207 15.999 > 5 30 O 0.85457719969556 0.36104019732681 0.10711626443207 15.999 > 5 31 O 0.35457719969556 0.36104019732681 0.60711626443207 15.999 > 5 32 O 0.85457719969556 0.36104019732681 0.60711626443207 15.999 > 5 33 O 0.14542280030444 0.36104019732681 0.39288373556793 15.999 > 9 34 O 0.64542280030444 0.36104019732681 0.39288373556793 15.999 > 9 35 O 0.14542280030444 0.36104019732681 0.89288373556793 15.999 > 9 36 O 0.64542280030444 0.36104019732681 0.89288373556793 15.999 > 9 37 O 0.14542280030444 0.63895980267319 0.39288373556793 15.999 > 13 38 O 0.64542280030444 0.63895980267319 0.39288373556793 15.999 > 13 39 O 0.14542280030444 0.63895980267319 0.89288373556793 15.999 > 13 40 O 0.64542280030444 0.63895980267319 0.89288373556793 15.999 > 13 41 O 0.35457719969556 0.63895980267319 0.10711626443207 15.999 > 17 42 O 0.85457719969556 0.63895980267319 0.10711626443207 15.999 > 17 43 O 0.35457719969556 0.63895980267319 0.60711626443207 15.999 > 17 44 O 0.85457719969556 0.63895980267319 0.60711626443207 15.999 > 17 45 O 0.35201185222607 0.50000000000000 0.39767662850329 15.999 > 21 46 O 0.85201185222607 0.50000000000000 0.39767662850329 15.999 > 21 47 O 0.35201185222607 0.50000000000000 0.89767662850329 15.999 > 21 48 O 0.85201185222607 0.50000000000000 0.89767662850329 15.999 > 21 49 Na 0.25000000000000 0.67216202287634 0.25000000000000 22.990 > 49 50 Na 0.75000000000000 0.67216202287634 0.25000000000000 22.990 > 49 51 Na 0.25000000000000 0.67216202287634 0.75000000000000 22.990 > 49 52 Na 0.75000000000000 0.67216202287634 0.75000000000000 22.990 > 49 53 Na 0.25000000000000 0.16634305706161 0.00000000000000 22.990 > 53 54 Na 0.75000000000000 0.16634305706161 0.00000000000000 22.990 > 53 55 Na 0.25000000000000 0.16634305706161 0.50000000000000 22.990 > 53 56 Na 0.75000000000000 0.16634305706161 0.50000000000000 22.990 > 53 57 Na 0.25000000000000 0.83365694293839 0.00000000000000 22.990 > 57 58 Na 0.75000000000000 0.83365694293839 0.00000000000000 22.990 > 57 59 Na 0.25000000000000 0.83365694293839 0.50000000000000 22.990 > 57 60 Na 0.75000000000000 0.83365694293839 0.50000000000000 22.990 > 57 61 Na 0.25000000000000 0.00000000000000 0.25000000000000 22.990 > 61 62 Na 0.75000000000000 0.00000000000000 0.25000000000000 22.990 > 61 63 Na 0.25000000000000 0.00000000000000 0.75000000000000 22.990 > 61 64 Na 0.75000000000000 0.00000000000000 0.75000000000000 22.990 > 61 65 Na 0.25000000000000 0.32783797712366 0.25000000000000 22.990 > 65 66 Na 0.75000000000000 0.32783797712366 0.25000000000000 22.990 > 65 67 Na 0.25000000000000 0.32783797712366 0.75000000000000 22.990 > 65 68 Na 0.75000000000000 0.32783797712366 0.75000000000000 22.990 > 65 69 Na 0.00000000000000 0.17216202287634 0.25000000000000 22.990 > 49 70 Na 0.50000000000000 0.17216202287634 0.25000000000000 22.990 > 49 71 Na 0.00000000000000 0.17216202287634 0.75000000000000 22.990 > 49 72 Na 0.50000000000000 0.17216202287634 0.75000000000000 22.990 > 49 73 Na 0.00000000000000 0.66634305706161 0.00000000000000 22.990 > 53 74 Na 0.50000000000000 0.66634305706161 0.00000000000000 22.990 > 53 75 Na 0.00000000000000 0.66634305706161 0.50000000000000 22.990 > 53 76 Na 0.50000000000000 0.66634305706161 0.50000000000000 22.990 > 53 77 Na 0.00000000000000 0.33365694293839 0.00000000000000 22.990 > 57 78 Na 0.50000000000000 0.33365694293839 0.00000000000000 22.990 > 57 79 Na 0.00000000000000 0.33365694293839 0.50000000000000 22.990 > 57 80 Na 0.50000000000000 0.33365694293839 0.50000000000000 22.990 > 57 81 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 61 82 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 61 83 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 61 84 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 61 85 Na 0.00000000000000 0.82783797712366 0.25000000000000 22.990 > 65 86 Na 0.50000000000000 0.82783797712366 0.25000000000000 22.990 > 65 87 Na 0.00000000000000 0.82783797712366 0.75000000000000 22.990 > 65 88 Na 0.50000000000000 0.82783797712366 0.75000000000000 22.990 > 65 89 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 89 90 Re 0.50000000000000 0.00000000000000 0.00000000000000 186.207 > 89 91 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 89 92 Re 0.50000000000000 0.00000000000000 0.50000000000000 186.207 > 89 93 Re 0.25000000000000 0.50000000000000 0.00000000000000 186.207 > 89 94 Re 0.75000000000000 0.50000000000000 0.00000000000000 186.207 > 89 95 Re 0.25000000000000 0.50000000000000 0.50000000000000 186.207 > 89 96 Re 0.75000000000000 0.50000000000000 0.50000000000000 186.207 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7736927 0.0000000 -0.0203641 0.0000000 3.7372342 0.0000000 -0.0203633 0.0000000 3.6514837 -------------------------- Born effective charges -------------------------- 1 O -2.8396123 0.0000000 1.0915783 0.0000000 -1.1523797 0.0000000 1.0019084 0.0000000 -1.9163949 2 O -1.6145612 0.7147581 -0.5538275 0.6754904 -2.4678348 0.9623341 -0.5097321 0.8707264 -1.9693049 3 O -1.6145612 -0.7147581 -0.5538275 -0.6754904 -2.4678348 -0.9623341 -0.5097321 -0.8707264 -1.9693049 4 O -1.6145612 0.7147581 -0.5538275 0.6754904 -2.4678348 0.9623341 -0.5097321 0.8707264 -1.9693049 5 O -1.6145612 -0.7147581 -0.5538275 -0.6754904 -2.4678348 -0.9623341 -0.5097321 -0.8707264 -1.9693049 6 O -2.8396123 0.0000000 1.0915783 0.0000000 -1.1523797 0.0000000 1.0019084 0.0000000 -1.9163949 7 Na 0.7911167 0.0000000 -0.0630458 0.0000000 1.2109854 0.0000000 -0.0250251 0.0000000 1.4881885 8 Na 1.2369806 0.0000000 0.0269309 0.0000000 1.2206919 0.0000000 -0.0075449 0.0000000 0.4943623 9 Na 1.2369806 0.0000000 0.0269309 0.0000000 1.2206919 0.0000000 -0.0075449 0.0000000 0.4943623 10 Na 1.3708211 0.0000000 0.0870997 0.0000000 0.5620686 0.0000000 0.0681085 0.0000000 1.4628378 11 Na 0.7911167 0.0000000 -0.0630458 0.0000000 1.2109854 0.0000000 -0.0250251 0.0000000 1.4881885 12 Re 6.7104540 0.0000000 0.0172835 0.0000000 6.7506752 0.0000000 0.0321430 0.0000000 6.2820701 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyx) 0.00000003 (yyx) 0.00000003 (yxy) 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 ... [ 11 11 10 ] 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: 0.79, Number of G-points: 311, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/336) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.848 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.690 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.513 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.413 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.296 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 9.366 ( 0.000 0.000 0.000) 0.000 9.920 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 11.266 ( 0.000 0.000 0.000) 0.000 11.314 ( 0.000 0.000 0.000) 0.000 11.512 ( 0.000 0.000 0.000) 0.000 13.643 ( 0.000 0.000 0.000) 0.000 13.923 ( 0.000 0.000 0.000) 0.000 14.208 ( 0.000 0.000 0.000) 0.000 16.501 ( 0.000 0.000 0.000) 0.000 16.512 ( 0.000 0.000 0.000) 0.000 16.706 ( 0.000 0.000 0.000) 0.000 17.225 ( 0.000 0.000 0.000) 0.000 17.885 ( 0.000 0.000 0.000) 0.000 22.539 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/336) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 17.471 -11.249 18.077) 27.542 0.614 ( 22.073 -16.644 16.392) 32.139 1.010 ( 43.467 -23.145 12.525) 50.813 2.284 ( 27.456 22.131 -42.708) 55.386 4.382 ( 0.963 3.528 9.445) 10.128 4.875 ( -7.541 -12.748 -8.121) 16.892 5.048 ( 2.057 0.430 6.195) 6.542 5.597 ( -9.269 5.773 4.190) 11.696 5.710 ( -4.720 -2.158 3.555) 6.291 6.133 ( 5.200 6.081 -4.689) 9.274 6.401 ( -9.233 -4.071 -10.279) 14.404 6.615 ( 5.195 2.647 1.856) 6.118 7.033 ( -2.558 -4.004 5.344) 7.151 7.190 ( -6.276 5.185 5.059) 9.585 7.388 ( -0.585 5.045 -1.194) 5.217 7.541 ( -4.282 -6.573 -1.888) 8.069 7.611 ( 5.894 -7.810 -12.941) 16.223 8.197 ( -11.826 1.773 11.213) 16.393 8.392 ( 5.620 -5.250 1.860) 7.912 8.617 ( 8.488 14.294 19.161) 25.368 8.826 ( -1.807 -0.209 2.637) 3.203 9.400 ( 2.679 -0.417 2.043) 3.395 9.895 ( -1.669 -0.578 -5.545) 5.820 10.024 ( -3.187 -4.219 -0.526) 5.314 11.313 ( 2.384 0.650 -1.222) 2.756 11.480 ( 1.536 -3.521 -5.756) 6.921 13.273 ( -8.134 -1.882 5.543) 10.022 13.656 ( 1.293 -0.719 -1.373) 2.019 13.936 ( 1.893 1.616 1.052) 2.702 14.198 ( -0.924 0.819 0.590) 1.368 16.453 ( -2.468 0.126 -0.937) 2.642 16.666 ( 5.596 -9.392 -1.342) 11.014 17.249 ( 0.872 -5.774 -3.815) 6.975 17.803 ( -14.491 -1.540 30.922) 34.184 20.615 ( 14.245 13.039 -28.207) 34.184 22.543 ( 1.178 0.115 -1.828) 2.178 ======================= Grid point 2 (3/336) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 16.625 -11.053 19.140) 27.657 1.211 ( 21.434 -16.505 13.452) 30.213 1.956 ( 38.794 -20.137 12.843) 45.557 2.246 ( 12.233 11.649 -22.686) 28.285 4.421 ( 1.734 5.920 8.788) 10.737 4.853 ( -2.939 -10.587 -6.033) 12.535 5.085 ( -2.208 0.981 5.053) 5.601 5.375 ( -11.641 8.885 4.688) 15.377 5.673 ( -5.733 -2.379 6.006) 8.637 6.084 ( 0.279 7.968 -7.938) 11.251 6.228 ( -5.800 -1.273 -7.689) 9.715 6.709 ( 6.777 3.534 2.406) 8.013 6.965 ( -8.731 3.645 4.508) 10.480 7.116 ( -3.283 0.292 1.337) 3.557 7.267 ( -6.696 2.575 2.140) 7.487 7.583 ( 4.066 -3.560 -3.236) 6.299 7.704 ( 4.767 -6.226 -9.640) 12.426 8.085 ( -8.427 0.430 10.655) 13.592 8.529 ( 4.934 -1.558 -2.234) 5.636 8.736 ( 9.705 9.961 10.455) 17.399 8.827 ( -1.960 -1.444 8.419) 8.764 9.458 ( 1.746 0.024 2.594) 3.127 9.805 ( -3.528 0.444 -9.302) 9.959 10.033 ( -1.011 -6.055 -1.324) 6.280 11.345 ( 1.633 -1.302 -0.193) 2.098 11.529 ( 2.978 -4.525 -1.444) 5.606 13.180 ( -5.811 0.178 -0.489) 5.834 13.667 ( 0.761 0.291 -1.808) 1.983 13.953 ( 1.774 2.346 -0.183) 2.947 14.172 ( -1.451 1.608 1.301) 2.527 16.434 ( 1.112 -0.308 -1.781) 2.122 16.872 ( 10.919 -6.634 0.033) 12.776 17.304 ( 0.594 -9.714 -7.100) 12.047 17.762 ( -10.925 0.195 21.199) 23.849 20.518 ( 3.966 12.698 -12.135) 18.006 22.550 ( 1.783 0.227 -3.349) 3.801 ======================= Grid point 3 (4/336) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 13.638 -10.110 20.675) 26.752 1.760 ( 19.278 -15.484 9.317) 26.424 2.189 ( 7.806 7.925 -17.454) 20.698 2.757 ( 30.222 -14.865 12.084) 35.783 4.409 ( -1.125 8.064 5.651) 9.910 4.884 ( -3.111 -4.974 -2.222) 6.274 4.986 ( -8.562 -1.658 -2.869) 9.181 5.182 ( -7.440 5.337 8.932) 12.792 5.660 ( -0.431 1.803 5.622) 5.920 5.936 ( -5.811 2.289 -4.326) 7.597 6.148 ( -1.343 1.441 -2.401) 3.106 6.684 ( -2.330 8.778 -3.290) 9.659 6.886 ( -3.327 2.809 1.124) 4.497 7.026 ( -0.949 3.307 3.627) 5.000 7.239 ( -1.593 -2.607 5.061) 5.912 7.654 ( -0.598 -6.839 -1.330) 6.993 7.751 ( 5.325 -1.179 -11.367) 12.608 8.055 ( -3.732 -2.312 7.838) 8.984 8.534 ( 0.906 3.025 -6.058) 6.832 8.788 ( 1.763 8.112 8.543) 11.912 8.969 ( 5.549 -3.918 12.118) 13.892 9.466 ( -2.152 1.254 2.194) 3.319 9.698 ( -0.951 0.396 -9.707) 9.761 10.072 ( 0.066 -5.385 -2.729) 6.038 11.387 ( 1.087 -1.969 2.169) 3.125 11.645 ( 5.272 -6.707 -0.258) 8.535 13.089 ( -3.644 0.851 -2.250) 4.366 13.650 ( -0.453 1.895 -1.329) 2.359 13.937 ( -0.187 2.352 -2.153) 3.194 14.143 ( -1.097 2.040 1.566) 2.796 16.475 ( 4.169 -1.925 -2.552) 5.253 17.119 ( 13.317 -2.663 0.091) 13.581 17.353 ( -0.856 -10.987 -8.556) 13.952 17.719 ( -9.714 -1.331 19.356) 21.698 20.364 ( -0.569 13.267 -6.691) 14.870 22.553 ( 1.601 0.324 -4.088) 4.402 ======================= Grid point 4 (5/336) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 4.862 -6.432 21.644) 23.097 2.124 ( 9.799 -0.248 -14.167) 17.227 2.251 ( 14.949 -8.364 2.598) 17.326 3.318 ( 17.906 -7.903 8.901) 21.502 4.289 ( -6.238 8.811 0.982) 10.840 4.755 ( -9.815 -3.462 -0.041) 10.407 4.878 ( -3.991 6.920 -1.975) 8.229 5.196 ( 0.902 -7.121 6.792) 9.882 5.669 ( 3.609 7.888 1.188) 8.755 5.825 ( -6.256 -2.320 -0.728) 6.711 6.138 ( -0.589 -2.099 4.272) 4.796 6.537 ( -2.852 8.085 -2.427) 8.911 6.743 ( -4.681 3.348 -7.721) 9.629 7.087 ( 2.126 1.613 8.424) 8.837 7.283 ( 2.078 0.298 3.833) 4.371 7.666 ( -4.160 -7.864 -2.009) 9.120 7.785 ( 5.311 0.166 -7.295) 9.025 8.079 ( -1.248 -2.675 3.420) 4.518 8.457 ( -1.952 3.732 -4.336) 6.045 8.798 ( 2.686 5.789 5.424) 8.376 9.121 ( -0.805 -4.988 6.340) 8.107 9.427 ( 0.342 3.150 2.846) 4.259 9.656 ( 1.123 0.265 -5.281) 5.405 10.090 ( -0.590 -3.444 -3.796) 5.160 11.440 ( 0.984 -2.002 2.999) 3.738 11.800 ( 5.381 -6.586 0.450) 8.516 13.026 ( -1.553 0.838 -2.111) 2.751 13.606 ( -1.257 2.593 -0.740) 2.975 13.885 ( -1.642 1.890 -2.360) 3.441 14.120 ( -0.490 1.683 0.843) 1.945 16.563 ( 5.504 -2.769 -2.622) 6.696 17.305 ( 9.202 1.832 -2.237) 9.646 17.369 ( -2.729 -6.018 -3.413) 7.437 17.738 ( -4.609 -6.718 13.868) 16.084 20.189 ( -2.292 11.017 -3.822) 11.884 22.547 ( 0.938 0.325 -3.486) 3.624 ======================= Grid point 5 (6/336) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -1.333 -0.246 6.641) 6.778 2.215 ( 6.570 -1.324 -4.698) 8.185 2.532 ( 6.665 -4.998 2.118) 8.596 3.585 ( 5.433 -1.969 3.291) 6.650 4.117 ( -4.701 4.231 -0.743) 6.368 4.693 ( -4.161 -4.845 1.775) 6.629 4.750 ( -1.020 6.401 -1.834) 6.736 5.326 ( 2.049 -4.756 3.488) 6.244 5.635 ( 1.429 5.871 -1.823) 6.311 5.771 ( -2.788 -1.883 0.522) 3.405 6.199 ( 0.281 -2.905 4.404) 5.284 6.432 ( -1.104 4.083 -1.139) 4.381 6.625 ( -1.669 1.573 -4.624) 5.161 7.126 ( 0.082 0.412 2.732) 2.764 7.328 ( 1.518 1.233 2.004) 2.800 7.668 ( -0.968 -3.266 -1.167) 3.601 7.820 ( 1.647 -0.860 -1.727) 2.536 8.091 ( -0.570 -0.785 0.205) 0.992 8.379 ( -1.345 1.828 -1.419) 2.677 8.826 ( 2.148 2.480 2.139) 3.917 9.119 ( -3.426 -2.542 -0.219) 4.272 9.464 ( 2.379 1.512 3.366) 4.390 9.647 ( 0.439 0.190 -1.642) 1.710 10.080 ( -0.612 -1.246 -2.119) 2.533 11.481 ( 0.446 -0.888 1.375) 1.697 11.915 ( 2.335 -2.824 0.343) 3.680 12.998 ( -0.293 0.325 -0.829) 0.937 13.566 ( -0.715 1.281 -0.252) 1.489 13.838 ( -0.952 0.770 -0.975) 1.565 14.107 ( -0.136 0.641 0.183) 0.680 16.646 ( 2.870 -1.444 -1.262) 3.452 17.345 ( -1.602 -3.628 -4.726) 6.169 17.368 ( 2.052 3.773 3.690) 5.662 17.824 ( -0.131 -4.145 4.386) 6.036 20.066 ( -1.237 4.470 -1.330) 4.825 22.538 ( 0.277 0.142 -1.391) 1.426 ======================= Grid point 12 (7/336) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 28.199 0.000 4.348) 28.533 0.968 ( 20.459 0.000 21.368) 29.583 1.757 ( 43.666 0.000 20.113) 48.076 2.390 ( 9.250 0.000 -31.291) 32.630 4.509 ( 3.954 0.000 12.223) 12.847 4.701 ( -2.597 -0.000 -7.752) 8.176 5.097 ( -3.143 -0.000 5.150) 6.034 5.498 ( -12.004 -0.000 7.326) 14.063 5.603 ( -7.625 -0.000 6.353) 9.925 6.184 ( -8.742 -0.000 -9.157) 12.660 6.211 ( 5.466 0.000 -9.117) 10.630 6.743 ( 7.205 0.000 2.793) 7.728 6.978 ( -3.784 -0.000 1.511) 4.075 7.123 ( -8.496 -0.000 6.629) 10.776 7.301 ( -11.044 -0.000 3.794) 11.677 7.527 ( 1.724 0.000 -0.502) 1.796 7.647 ( 11.356 0.000 -14.559) 18.464 8.102 ( -9.729 -0.000 11.829) 15.316 8.497 ( 7.549 0.000 2.674) 8.009 8.800 ( -1.288 -0.000 4.202) 4.395 8.867 ( 3.841 0.000 12.785) 13.349 9.456 ( 2.183 0.000 1.972) 2.942 9.832 ( -0.432 -0.000 -9.650) 9.659 9.942 ( -3.232 -0.000 0.169) 3.237 11.356 ( 4.417 0.000 -3.679) 5.748 11.458 ( 1.812 0.000 -3.299) 3.764 13.166 ( -6.447 -0.000 -0.185) 6.450 13.675 ( 1.899 0.000 -0.660) 2.011 13.989 ( 1.712 0.000 0.280) 1.735 14.189 ( -1.760 -0.000 2.348) 2.934 16.411 ( 0.481 0.000 -5.190) 5.212 16.804 ( 12.773 0.000 3.630) 13.279 17.202 ( 1.578 0.000 -7.487) 7.651 17.768 ( -10.795 -0.000 23.165) 25.556 20.660 ( 2.588 0.000 -15.062) 15.283 22.553 ( 1.832 0.000 -3.455) 3.911 ======================= Grid point 13 (8/336) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 20.338 1.458 16.177) 26.028 1.503 ( 23.070 -11.338 9.357) 27.356 2.318 ( 5.625 4.512 -21.378) 22.562 2.550 ( 35.418 -6.045 17.576) 39.998 4.561 ( 0.680 7.984 1.058) 8.083 4.737 ( 3.936 -8.705 2.543) 9.886 4.963 ( -14.838 -0.593 0.141) 14.851 5.314 ( -11.192 6.086 7.285) 14.675 5.603 ( -2.773 -4.746 10.563) 11.908 5.987 ( -8.995 1.745 -4.703) 10.299 6.205 ( 2.719 2.987 -9.375) 10.208 6.815 ( 0.498 4.792 -3.180) 5.772 6.918 ( -2.663 0.386 -0.910) 2.840 7.079 ( -2.733 2.527 8.795) 9.550 7.168 ( -6.223 -4.522 6.123) 9.832 7.540 ( -2.544 -3.643 0.440) 4.465 7.738 ( 9.030 -0.444 -12.983) 15.821 8.044 ( -4.723 0.438 9.382) 10.513 8.573 ( 2.315 1.000 -5.283) 5.854 8.868 ( 1.229 -0.722 12.335) 12.417 8.942 ( 1.383 2.017 6.622) 7.059 9.481 ( -0.038 0.356 1.197) 1.250 9.754 ( 1.206 4.944 -7.682) 9.215 9.951 ( -0.271 -6.672 -1.234) 6.791 11.399 ( 4.682 3.218 -1.414) 5.854 11.517 ( 3.857 -6.526 -1.832) 7.799 13.067 ( -5.657 -1.669 -2.565) 6.431 13.693 ( 1.600 1.714 -0.785) 2.472 13.985 ( -0.126 1.931 -2.361) 3.053 14.171 ( -1.996 0.898 2.953) 3.675 16.412 ( 2.601 -3.247 -7.449) 8.532 17.079 ( 16.498 -1.128 5.944) 17.572 17.200 ( 2.023 -4.219 -10.361) 11.368 17.727 ( -10.375 0.726 20.791) 23.247 20.553 ( -3.401 5.835 -7.918) 10.407 22.557 ( 1.824 0.132 -4.644) 4.991 ======================= Grid point 14 (9/336) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 11.598 -1.568 18.892) 22.223 1.999 ( 19.739 -9.139 5.566) 22.453 2.253 ( 7.596 3.782 -17.599) 19.538 3.173 ( 22.375 -6.340 12.460) 26.383 4.455 ( -5.736 7.969 -1.391) 9.917 4.689 ( -13.027 -2.980 -2.550) 13.604 4.935 ( 5.839 -2.337 0.773) 6.337 5.145 ( -8.286 3.097 10.428) 13.675 5.678 ( -3.753 -6.077 9.708) 12.053 5.826 ( -5.366 2.367 -1.618) 6.084 6.153 ( 1.015 3.237 -5.596) 6.544 6.697 ( -2.656 8.491 -1.812) 9.079 6.799 ( -6.390 2.172 -6.894) 9.647 7.082 ( -0.940 -2.545 3.208) 4.201 7.284 ( 5.495 -0.480 10.564) 11.917 7.526 ( -4.484 -6.000 2.141) 7.790 7.775 ( 2.725 -0.775 -7.172) 7.711 8.055 ( 0.923 -0.045 3.169) 3.301 8.522 ( -1.639 2.781 -5.005) 5.955 8.883 ( -0.652 3.062 0.672) 3.202 9.027 ( -0.242 -4.521 6.826) 8.191 9.482 ( 1.329 2.389 2.531) 3.726 9.709 ( 2.808 5.386 -2.645) 6.625 10.001 ( 0.082 -6.003 -2.639) 6.558 11.439 ( 3.635 2.207 1.324) 4.454 11.667 ( 6.982 -7.482 -0.799) 10.265 12.988 ( -4.947 -3.362 -3.138) 6.755 13.680 ( 0.641 4.021 -0.386) 4.090 13.932 ( -1.353 2.579 -3.164) 4.301 14.143 ( -2.122 0.863 1.580) 2.783 16.465 ( 4.289 -6.281 -8.449) 11.368 17.209 ( 1.907 -5.608 -12.582) 13.906 17.391 ( 16.337 3.274 7.693) 18.352 17.690 ( -8.232 -0.499 20.505) 22.102 20.359 ( -7.971 6.674 -5.460) 11.743 22.552 ( 1.325 0.243 -4.666) 4.856 ======================= Grid point 15 (10/336) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -1.681 -0.594 13.854) 13.968 2.232 ( 12.354 2.539 -12.303) 17.619 2.438 ( 14.597 -5.050 2.944) 15.724 3.512 ( 6.946 -4.541 4.725) 9.549 4.221 ( -11.238 5.594 -0.125) 12.554 4.597 ( -2.717 -4.520 -1.690) 5.538 4.886 ( -2.302 7.268 -3.426) 8.358 5.227 ( 3.623 -4.328 10.780) 12.168 5.652 ( -9.563 -6.718 0.791) 11.714 5.784 ( 1.895 4.512 2.824) 5.650 6.137 ( 0.427 -1.378 -0.244) 1.464 6.577 ( -0.721 9.621 -0.395) 9.656 6.653 ( -4.016 0.682 -6.407) 7.593 7.105 ( -0.347 -2.900 -1.638) 3.349 7.353 ( -1.563 1.599 3.179) 3.887 7.607 ( 4.426 -3.835 8.001) 9.916 7.770 ( -2.313 -2.859 0.298) 3.690 8.087 ( 2.076 0.332 -1.254) 2.448 8.432 ( -2.162 3.105 -3.177) 4.940 8.834 ( -2.415 -1.299 -6.171) 6.753 9.083 ( 1.580 -1.261 2.863) 3.505 9.502 ( 0.664 2.185 1.848) 2.938 9.694 ( 1.708 4.748 0.613) 5.083 10.037 ( 0.544 -3.492 -0.716) 3.606 11.486 ( 3.051 1.496 1.122) 3.579 11.843 ( 6.917 -4.779 0.385) 8.416 12.933 ( -4.809 -5.619 -2.826) 7.918 13.640 ( 0.183 5.282 0.224) 5.289 13.871 ( -0.783 2.440 -2.224) 3.393 14.110 ( -2.070 -0.179 0.096) 2.080 16.549 ( 3.694 -7.501 -8.288) 11.773 17.213 ( 2.070 -5.920 -13.983) 15.325 17.517 ( -2.196 7.687 16.077) 17.955 17.812 ( 10.134 1.637 11.724) 15.583 20.131 ( -10.264 2.508 -4.454) 11.467 22.542 ( 0.728 0.213 -3.122) 3.213 ======================= Grid point 16 (11/336) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -2.462 -0.515 3.125) 4.012 2.281 ( 3.165 5.126 -6.062) 8.546 2.618 ( 3.468 3.827 0.852) 5.234 3.564 ( -4.333 -3.419 -3.005) 6.284 4.080 ( -2.906 -0.527 2.129) 3.641 4.631 ( 1.844 -4.925 -0.042) 5.260 4.796 ( 1.822 4.915 -4.310) 6.786 5.349 ( 0.338 -1.927 6.389) 6.681 5.558 ( -7.253 -3.638 -2.277) 8.428 5.798 ( 2.712 2.659 1.893) 4.244 6.168 ( -0.601 -4.829 -0.815) 4.934 6.475 ( -1.332 6.387 -2.775) 7.090 6.615 ( 1.667 0.577 2.238) 2.849 7.098 ( -0.816 -2.431 -6.397) 6.892 7.312 ( -2.901 -0.058 0.727) 2.991 7.730 ( 3.504 2.738 2.925) 5.322 7.781 ( -2.972 -4.154 8.994) 10.343 8.106 ( 2.010 0.551 -0.185) 2.093 8.378 ( 0.106 1.281 -1.532) 2.000 8.761 ( -3.703 -3.609 -8.454) 9.910 9.159 ( 6.033 1.223 1.146) 6.262 9.450 ( -4.321 0.005 -5.396) 6.913 9.685 ( 0.793 4.134 3.983) 5.795 10.084 ( 1.599 -0.894 3.418) 3.878 11.512 ( 2.143 2.172 -1.316) 3.323 11.949 ( 3.138 0.984 0.082) 3.290 12.907 ( -4.464 -8.152 -1.858) 9.479 13.604 ( 0.935 4.396 1.066) 4.619 13.846 ( 1.238 1.553 -0.450) 2.036 14.086 ( -1.684 -1.473 -0.397) 2.273 16.598 ( -0.349 -5.563 -6.486) 8.552 17.224 ( 2.749 -6.336 -14.020) 15.628 17.483 ( -5.326 5.575 16.470) 18.186 17.986 ( 11.069 12.324 6.033) 17.630 19.966 ( -8.593 -5.998 -2.416) 10.754 22.537 ( 0.175 -0.011 -0.481) 0.512 ======================= Grid point 17 (12/336) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 0.088 1.255 -9.478) 9.561 2.160 ( -8.091 6.773 3.515) 11.122 2.472 ( -9.291 13.217 -4.336) 16.728 3.418 ( -11.829 1.870 -6.622) 13.685 4.145 ( 3.860 -6.504 0.648) 7.591 4.745 ( 5.485 -6.466 0.098) 8.479 4.807 ( 6.681 1.948 -3.875) 7.965 5.334 ( -2.668 5.911 1.882) 6.753 5.493 ( -5.968 -8.879 -0.839) 10.731 5.846 ( 3.820 0.731 1.207) 4.072 6.179 ( 1.462 -0.444 -6.560) 6.736 6.422 ( -1.490 -2.746 1.682) 3.549 6.700 ( 4.783 -0.744 6.737) 8.295 7.039 ( -3.369 -2.988 -10.258) 11.203 7.285 ( -0.470 0.602 0.099) 0.770 7.743 ( -5.471 -2.916 8.558) 10.568 7.811 ( 3.245 5.935 2.317) 7.149 8.136 ( 2.212 2.479 0.959) 3.458 8.398 ( 1.350 -2.292 2.192) 3.447 8.691 ( -3.055 -4.762 -9.148) 10.756 9.199 ( -0.931 3.183 -6.589) 7.376 9.369 ( 0.722 -3.148 -4.696) 5.699 9.692 ( 0.588 3.893 7.497) 8.468 10.132 ( 1.050 1.094 4.715) 4.953 11.496 ( 1.245 3.376 -3.976) 5.363 11.916 ( -2.351 6.066 -1.422) 6.660 12.927 ( -2.248 -9.201 -0.311) 9.477 13.608 ( 2.015 2.224 2.164) 3.700 13.873 ( 2.667 0.608 1.103) 2.949 14.081 ( -0.952 -2.416 -0.349) 2.620 16.561 ( -4.222 -2.287 -4.200) 6.379 17.231 ( -1.717 -4.993 -7.009) 8.775 17.462 ( -0.625 3.151 7.139) 7.829 17.994 ( 6.492 19.371 0.675) 20.441 19.958 ( -3.743 -13.521 1.575) 14.117 22.541 ( -0.513 -0.267 1.989) 2.071 ======================= Grid point 18 (13/336) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -4.625 14.774 -22.408) 27.236 2.058 ( -13.354 -0.531 4.870) 14.224 2.079 ( -11.792 13.875 0.532) 18.217 3.043 ( -20.823 13.890 -6.980) 25.986 4.262 ( 2.828 -7.499 -4.719) 9.301 4.901 ( 6.294 -2.328 -4.726) 8.208 4.931 ( 9.455 -6.367 1.876) 11.553 5.231 ( -1.360 8.519 0.930) 8.677 5.512 ( -3.809 -11.934 0.282) 12.530 5.920 ( 4.414 -0.377 1.900) 4.820 6.170 ( 4.511 2.916 -4.863) 7.246 6.498 ( 0.553 -10.450 2.764) 10.824 6.832 ( 3.665 -2.413 1.720) 4.713 6.954 ( -2.460 -4.198 -4.298) 6.492 7.279 ( 1.557 1.972 -2.084) 3.265 7.700 ( -8.602 -1.491 8.164) 11.953 7.833 ( 5.546 6.723 1.412) 8.829 8.129 ( 1.935 4.876 -1.920) 5.586 8.465 ( -0.773 -4.259 5.719) 7.172 8.640 ( -3.120 -6.481 -9.585) 11.984 9.032 ( -6.500 2.380 -11.309) 13.259 9.432 ( 3.558 -2.414 -3.679) 5.659 9.732 ( 2.387 3.660 10.583) 11.450 10.147 ( -0.122 2.730 3.600) 4.520 11.451 ( 1.123 3.957 -4.779) 6.305 11.770 ( -5.761 6.950 -2.560) 9.383 13.002 ( 1.180 -8.134 0.613) 8.242 13.643 ( 1.576 0.742 3.238) 3.677 13.918 ( 2.247 0.555 1.610) 2.819 14.097 ( 0.263 -2.723 -0.273) 2.749 16.478 ( -4.598 -0.910 -2.955) 5.541 17.153 ( -8.855 0.285 2.199) 9.129 17.485 ( 3.806 1.735 -3.160) 5.242 17.887 ( 4.589 17.275 -4.197) 18.361 20.091 ( -0.451 -15.368 5.731) 16.408 22.546 ( -1.278 -0.376 3.215) 3.480 ======================= Grid point 19 (14/336) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -7.422 20.470 -20.422) 29.852 1.543 ( -18.224 18.617 -15.767) 30.452 2.059 ( -10.814 -7.105 14.660) 19.553 2.425 ( -26.885 27.196 -4.518) 38.508 4.312 ( 0.581 -5.782 -7.329) 9.353 4.950 ( 1.302 -2.092 -4.983) 5.559 5.139 ( 3.292 7.230 6.486) 10.256 5.204 ( 8.838 -7.988 -3.196) 12.334 5.598 ( 0.450 -10.857 0.097) 10.867 5.990 ( 0.295 -1.147 3.115) 3.333 6.253 ( 10.208 1.460 2.460) 10.601 6.602 ( -2.673 -8.316 -1.104) 8.804 6.854 ( 3.706 -6.457 -6.372) 9.799 7.058 ( 2.302 -6.131 6.806) 9.445 7.264 ( 1.704 2.283 -3.987) 4.900 7.618 ( -5.931 0.575 4.738) 7.613 7.849 ( 1.919 7.972 3.149) 8.784 8.114 ( 5.512 3.508 -5.901) 8.804 8.495 ( -5.243 -6.295 1.076) 8.263 8.576 ( -6.762 -4.465 -3.108) 8.679 8.866 ( -2.386 1.961 -10.054) 10.517 9.448 ( -0.760 -1.227 -3.552) 3.834 9.827 ( 4.753 2.552 9.572) 10.988 10.126 ( -0.520 3.812 1.826) 4.259 11.408 ( 1.362 4.282 -3.227) 5.532 11.602 ( -5.869 3.910 -2.948) 7.643 13.117 ( 4.356 -6.197 -0.116) 7.576 13.669 ( -0.955 -0.076 3.907) 4.023 13.947 ( 1.824 1.986 1.195) 2.949 14.134 ( 1.155 -2.442 0.010) 2.701 16.413 ( -2.665 -1.689 -2.452) 3.996 16.994 ( -8.895 5.161 3.569) 10.886 17.474 ( 0.397 5.627 -2.381) 6.123 17.813 ( 6.760 7.597 -9.934) 14.216 20.266 ( -0.814 -13.166 9.260) 16.117 22.545 ( -1.621 -0.342 3.031) 3.454 ======================= Grid point 20 (15/336) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -10.079 21.331 -18.514) 29.989 0.987 ( -11.666 23.864 -17.034) 31.555 1.664 ( -25.010 40.172 0.232) 47.322 2.001 ( -16.644 -7.564 13.570) 22.768 4.316 ( -0.315 -3.744 -5.407) 6.584 4.950 ( -0.672 -3.626 -3.990) 5.433 5.131 ( 4.137 9.057 5.376) 11.316 5.450 ( 9.230 -9.798 -1.658) 13.563 5.697 ( 1.747 -5.923 -1.490) 6.353 5.998 ( -4.274 -4.907 3.940) 7.607 6.464 ( 11.283 1.987 7.728) 13.820 6.561 ( -3.676 -3.067 -3.366) 5.852 7.030 ( 8.573 -10.577 -3.702) 14.109 7.096 ( -2.981 -0.563 -3.486) 4.621 7.279 ( -2.090 -4.465 4.310) 6.548 7.608 ( 4.783 0.527 2.267) 5.319 7.777 ( -2.606 9.104 4.872) 10.649 8.186 ( 10.328 0.294 -10.250) 14.554 8.390 ( -12.638 -7.044 -4.284) 15.090 8.494 ( -4.950 3.389 2.949) 6.685 8.801 ( -0.634 -2.143 -5.818) 6.232 9.407 ( -2.133 0.035 -2.113) 3.002 9.923 ( 3.431 2.254 5.606) 6.949 10.094 ( 0.179 3.143 0.487) 3.185 11.364 ( -0.066 5.210 -1.174) 5.341 11.498 ( -2.822 -0.889 -2.105) 3.631 13.247 ( 6.164 -4.226 -2.137) 7.773 13.656 ( -3.858 -1.099 3.202) 5.132 13.962 ( 2.953 4.221 1.355) 5.327 14.173 ( 0.890 -1.852 0.270) 2.072 16.400 ( -0.437 -3.618 -1.773) 4.053 16.850 ( -2.920 8.070 3.447) 9.248 17.371 ( -3.693 6.255 -1.945) 7.520 17.830 ( 8.155 1.401 -12.123) 14.678 20.399 ( -4.214 -9.017 11.774) 15.417 22.539 ( -1.146 -0.259 1.841) 2.183 ======================= Grid point 21 (16/336) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -0.000 22.870 -0.000) 22.870 0.585 ( -0.000 30.823 -0.000) 30.823 0.983 ( -0.000 51.136 -0.000) 51.136 1.868 ( -0.000 0.163 -0.000) 0.163 4.321 ( 0.000 -2.156 0.000) 2.156 4.961 ( 0.000 -3.401 0.000) 3.401 5.150 ( -0.000 4.776 -0.000) 4.776 5.614 ( 0.000 -7.776 0.000) 7.776 5.735 ( 0.000 -0.716 0.000) 0.716 6.028 ( 0.000 -7.589 0.000) 7.589 6.503 ( 0.000 -0.992 0.000) 0.992 6.624 ( -0.000 1.643 -0.000) 1.643 7.030 ( -0.000 1.188 -0.000) 1.188 7.197 ( 0.000 -6.795 0.000) 6.795 7.302 ( 0.000 -6.658 0.000) 6.658 7.655 ( -0.000 8.988 -0.000) 8.988 7.830 ( 0.000 -10.538 0.000) 10.538 8.157 ( 0.000 -1.369 0.000) 1.369 8.357 ( -0.000 3.850 -0.000) 3.850 8.358 ( -0.000 4.622 -0.000) 4.622 8.802 ( 0.000 -3.170 0.000) 3.170 9.376 ( -0.000 0.674 -0.000) 0.674 9.944 ( -0.000 2.446 -0.000) 2.446 10.084 ( -0.000 1.080 -0.000) 1.080 11.307 ( -0.000 4.235 -0.000) 4.235 11.491 ( 0.000 -2.127 0.000) 2.127 13.342 ( 0.000 -3.634 0.000) 3.634 13.632 ( 0.000 -1.193 0.000) 1.193 13.965 ( -0.000 4.047 -0.000) 4.047 14.196 ( 0.000 -1.241 0.000) 1.241 16.438 ( 0.000 -5.340 0.000) 5.340 16.795 ( -0.000 6.802 -0.000) 6.802 17.264 ( -0.000 4.040 -0.000) 4.040 17.874 ( 0.000 -1.059 0.000) 1.059 20.434 ( 0.000 -2.849 0.000) 2.849 22.538 ( 0.000 -0.181 0.000) 0.181 ======================= Grid point 24 (17/336) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 11.588 0.000 16.564) 20.214 1.888 ( 25.086 0.000 7.357) 26.142 2.296 ( 5.726 0.000 -19.364) 20.193 3.111 ( 23.986 0.000 14.340) 27.946 4.539 ( -3.680 -0.000 -7.169) 8.059 4.663 ( -17.442 -0.000 -2.075) 17.565 4.887 ( 10.007 0.000 9.349) 13.695 5.204 ( -10.283 -0.000 7.310) 12.616 5.596 ( -6.301 -0.000 10.896) 12.587 5.848 ( -5.754 -0.000 0.397) 5.768 6.197 ( 2.108 0.000 -9.907) 10.128 6.810 ( -1.562 -0.000 -3.460) 3.796 6.813 ( -7.641 -0.000 -4.481) 8.858 7.027 ( -3.335 -0.000 -0.802) 3.430 7.275 ( 8.094 0.000 16.527) 18.402 7.470 ( -5.606 -0.000 3.703) 6.718 7.767 ( 2.570 0.000 -7.865) 8.274 8.059 ( 1.271 0.000 2.865) 3.134 8.549 ( -1.563 -0.000 -4.972) 5.212 8.914 ( -4.182 -0.000 -4.120) 5.871 8.977 ( 2.504 0.000 9.719) 10.036 9.505 ( 1.626 0.000 2.133) 2.682 9.812 ( 4.026 0.000 -0.522) 4.059 9.898 ( -0.295 -0.000 -2.552) 2.569 11.505 ( 2.340 0.000 -0.032) 2.340 11.550 ( 10.001 0.000 -1.034) 10.054 12.949 ( -5.777 -0.000 -3.074) 6.544 13.722 ( 1.284 0.000 -0.861) 1.546 13.960 ( -1.533 -0.000 -3.344) 3.679 14.152 ( -2.979 -0.000 2.072) 3.629 16.395 ( 4.181 0.000 -9.916) 10.761 17.157 ( 3.195 0.000 -12.572) 12.971 17.427 ( 20.773 0.000 9.692) 22.922 17.686 ( -10.655 -0.000 20.582) 23.176 20.424 ( -10.504 -0.000 -6.092) 12.143 22.555 ( 1.485 0.000 -5.120) 5.331 ======================= Grid point 25 (18/336) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -0.453 0.143 13.695) 13.703 2.287 ( 15.933 2.954 -7.297) 17.772 2.351 ( 16.991 -3.939 -2.786) 17.662 3.449 ( 8.300 -1.814 7.045) 11.036 4.290 ( -17.129 1.612 -0.945) 17.231 4.541 ( 0.083 -1.336 -5.690) 5.845 4.997 ( -0.696 3.559 -5.573) 6.649 5.193 ( 3.850 0.587 17.745) 18.167 5.508 ( -12.452 -6.365 5.476) 15.019 5.825 ( -0.871 0.334 5.687) 5.763 6.168 ( 2.730 2.785 -8.022) 8.919 6.643 ( -8.611 -1.067 -5.777) 10.424 6.743 ( -0.023 6.469 -1.906) 6.744 7.029 ( 1.218 -3.993 -4.091) 5.845 7.388 ( -5.358 1.821 6.099) 8.320 7.527 ( 6.348 -3.570 15.384) 17.021 7.744 ( -0.816 -0.272 -2.472) 2.618 8.096 ( 2.624 0.355 -1.928) 3.275 8.474 ( -3.854 1.150 -2.287) 4.627 8.808 ( -3.056 -0.919 -10.432) 10.909 9.065 ( 3.741 -0.599 3.157) 4.931 9.533 ( -0.273 0.920 1.111) 1.468 9.812 ( 1.790 7.289 0.978) 7.570 9.946 ( 1.534 -6.176 1.330) 6.502 11.531 ( 3.317 2.537 -0.294) 4.186 11.753 ( 11.279 -3.809 1.144) 11.960 12.843 ( -6.803 -2.940 -3.333) 8.126 13.719 ( 0.362 2.468 -0.440) 2.533 13.911 ( -0.999 1.360 -2.723) 3.204 14.105 ( -3.544 -0.231 0.249) 3.561 16.428 ( 5.042 -3.997 -10.410) 12.238 17.139 ( 3.313 -2.008 -14.216) 14.735 17.624 ( -9.260 3.130 19.914) 22.183 17.846 ( 21.645 1.256 12.248) 24.902 20.162 ( -16.197 0.780 -6.226) 17.370 22.545 ( 1.002 0.105 -4.164) 4.284 ======================= Grid point 26 (19/336) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -4.728 -0.093 6.704) 8.204 2.381 ( 9.470 4.820 -10.839) 15.178 2.662 ( 12.884 0.702 3.746) 13.436 3.503 ( -4.852 -2.315 -1.290) 5.529 4.065 ( -9.438 -1.158 1.388) 9.610 4.558 ( 2.736 -3.026 -3.442) 5.337 4.891 ( -0.505 5.213 -6.098) 8.039 5.310 ( -3.815 -1.846 7.586) 8.690 5.464 ( -2.973 -5.245 6.718) 9.027 5.849 ( 0.081 0.412 5.306) 5.323 6.127 ( 0.429 2.575 -5.445) 6.039 6.517 ( -5.056 -3.107 -6.920) 9.116 6.689 ( 1.895 6.770 1.361) 7.160 7.048 ( 0.654 -2.545 -7.199) 7.664 7.326 ( -4.200 1.199 5.247) 6.827 7.671 ( -5.406 -5.105 8.808) 11.527 7.789 ( 8.134 1.924 5.856) 10.206 8.112 ( 1.403 0.175 -0.880) 1.665 8.397 ( -3.493 0.290 -0.209) 3.512 8.718 ( -0.621 -0.766 -12.113) 12.153 9.161 ( 6.432 -0.711 -0.443) 6.486 9.458 ( -6.108 0.549 -6.350) 8.828 9.790 ( 1.736 6.586 4.213) 8.009 10.042 ( 1.762 -3.661 5.472) 6.816 11.555 ( 2.927 2.099 -2.192) 4.216 11.960 ( 10.021 0.317 1.683) 10.166 12.749 ( -7.844 -7.368 -3.521) 11.323 13.688 ( -0.218 3.810 0.471) 3.845 13.882 ( 1.030 1.798 -1.224) 2.407 14.057 ( -2.935 -1.370 -0.499) 3.277 16.487 ( 3.704 -5.150 -9.611) 11.516 17.129 ( 3.233 -3.662 -14.873) 15.654 17.562 ( -9.156 2.906 18.770) 21.085 18.219 ( 21.014 10.673 11.536) 26.241 19.856 ( -17.949 -5.148 -5.921) 19.588 22.537 ( 0.480 0.043 -1.913) 1.973 ======================= Grid point 27 (20/336) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -3.505 -1.287 2.354) 4.414 2.335 ( 0.563 9.835 -9.109) 13.417 2.714 ( -1.118 12.025 -1.306) 12.148 3.392 ( -8.268 -3.794 -5.363) 10.560 4.035 ( -0.240 -5.399 1.832) 5.706 4.640 ( 4.749 -4.970 -1.726) 7.088 4.838 ( 3.314 1.935 -7.140) 8.105 5.273 ( -8.623 -8.948 2.341) 12.645 5.486 ( -0.966 4.841 5.414) 7.327 5.887 ( 3.094 2.879 2.737) 5.035 6.099 ( -0.199 -4.608 -3.757) 5.949 6.428 ( -3.557 0.213 -4.688) 5.888 6.710 ( 3.179 1.645 4.806) 5.993 6.997 ( -2.693 -1.053 -9.437) 9.870 7.305 ( -0.157 1.333 2.737) 3.048 7.662 ( -7.188 -4.911 9.055) 12.561 7.910 ( 6.404 4.268 1.574) 7.855 8.152 ( 1.613 -0.509 5.406) 5.665 8.362 ( -2.501 -2.041 2.062) 3.830 8.650 ( 0.925 0.530 -12.198) 12.244 9.240 ( -2.169 1.235 -5.796) 6.310 9.308 ( 0.128 -3.115 -7.937) 8.528 9.792 ( 1.560 6.381 7.654) 10.086 10.126 ( 0.869 -1.909 5.954) 6.312 11.551 ( 1.735 2.244 -5.019) 5.765 12.039 ( 2.805 7.308 -0.888) 7.878 12.719 ( -4.118 -12.112 -2.096) 12.964 13.660 ( 0.031 2.862 1.840) 3.403 13.898 ( 3.193 1.650 0.325) 3.609 14.036 ( -1.588 -2.131 0.067) 2.659 16.506 ( 0.318 -2.938 -7.789) 8.330 17.131 ( 1.874 -5.223 -12.517) 13.692 17.511 ( -5.853 2.295 13.147) 14.572 18.392 ( 11.017 21.778 6.618) 25.287 19.688 ( -9.991 -15.103 -1.203) 18.149 22.537 ( -0.186 -0.159 0.634) 0.680 ======================= Grid point 28 (21/336) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -1.455 0.218 -5.116) 5.324 2.121 ( -7.800 12.604 -4.870) 15.602 2.423 ( -11.232 18.838 -6.747) 22.946 3.224 ( -10.428 4.707 -4.108) 12.157 4.127 ( 2.724 -7.018 -1.874) 7.758 4.781 ( 6.935 -7.407 -2.813) 10.530 4.865 ( 4.294 -2.674 -6.606) 8.321 5.253 ( -7.742 -12.342 2.992) 14.873 5.427 ( -0.828 9.317 5.117) 10.662 5.927 ( 4.420 1.882 0.344) 4.816 6.169 ( 4.574 -5.853 -4.248) 8.557 6.365 ( -1.966 -1.492 -0.392) 2.499 6.799 ( 2.059 -1.842 7.293) 7.798 6.886 ( -4.545 -1.985 -8.873) 10.165 7.316 ( 1.987 1.840 -0.471) 2.749 7.645 ( -7.234 -3.964 9.197) 12.355 7.952 ( 6.016 5.661 -2.587) 8.656 8.202 ( 0.198 2.143 6.376) 6.729 8.378 ( -2.770 -4.797 4.577) 7.185 8.582 ( 0.134 0.588 -11.435) 11.451 9.053 ( -8.060 -0.073 -10.659) 13.363 9.380 ( 4.197 -2.899 -4.735) 6.960 9.820 ( 2.620 5.489 9.655) 11.411 10.172 ( -0.289 -0.201 4.358) 4.372 11.511 ( 0.747 2.221 -6.862) 7.251 11.915 ( -5.403 8.660 -4.214) 11.043 12.816 ( 2.616 -10.966 -0.029) 11.274 13.658 ( -0.519 0.656 3.111) 3.221 13.949 ( 4.284 2.028 1.380) 4.937 14.048 ( 0.128 -2.237 0.918) 2.421 16.463 ( -2.019 -0.395 -6.016) 6.358 17.115 ( -3.384 -4.076 -4.625) 7.033 17.498 ( 0.454 0.881 1.627) 1.905 18.267 ( -1.452 21.524 0.693) 21.584 19.798 ( 1.699 -15.874 5.525) 16.893 22.540 ( -0.957 -0.306 2.309) 2.519 ======================= Grid point 29 (22/336) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -1.801 20.221 -18.284) 27.321 1.816 ( -16.259 5.758 -8.464) 19.213 2.063 ( -8.425 12.302 4.929) 15.704 2.887 ( -14.600 20.590 -1.298) 25.274 4.202 ( 1.709 -5.984 -5.262) 8.150 4.866 ( 0.564 -5.494 -10.371) 11.750 5.005 ( 7.849 -10.394 -0.455) 13.033 5.301 ( -3.822 -8.472 8.303) 12.463 5.380 ( 0.939 4.058 3.396) 5.374 5.995 ( 3.411 0.849 0.942) 3.639 6.276 ( 9.353 -0.497 -3.442) 9.978 6.419 ( 1.433 -8.905 0.910) 9.065 6.765 ( -3.449 -2.761 -5.934) 7.398 6.927 ( -0.746 -7.109 8.025) 10.747 7.314 ( 1.423 2.440 -3.342) 4.376 7.611 ( -5.221 -1.357 5.387) 7.624 7.980 ( 5.462 5.935 -1.935) 8.295 8.199 ( 0.966 4.817 2.178) 5.374 8.367 ( -6.876 -5.980 -1.611) 9.254 8.532 ( -0.988 -0.988 -0.782) 1.601 8.887 ( -5.288 0.118 -8.983) 10.424 9.413 ( 0.292 -2.348 -4.268) 4.880 9.890 ( 4.209 3.931 8.978) 10.666 10.175 ( -1.020 1.341 2.051) 2.654 11.462 ( 0.474 1.142 -6.529) 6.645 11.702 ( -7.483 6.876 -4.749) 11.217 12.981 ( 6.458 -7.653 0.069) 10.014 13.654 ( -3.121 -1.290 3.552) 4.902 14.007 ( 4.776 3.433 1.941) 6.194 14.088 ( 1.326 -2.024 1.303) 2.748 16.395 ( -2.030 0.121 -4.538) 4.973 17.041 ( -6.739 -0.380 1.517) 6.918 17.515 ( 3.671 0.747 -7.005) 7.944 18.032 ( -5.169 13.812 -1.184) 14.795 20.036 ( 5.344 -11.415 8.335) 15.110 22.538 ( -1.386 -0.318 2.605) 2.968 ======================= Grid point 30 (23/336) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -13.265 21.123 -14.194) 28.699 1.448 ( -2.579 23.277 -13.056) 26.813 1.942 ( -7.463 1.297 7.850) 10.909 2.388 ( -13.272 35.304 0.956) 37.729 4.238 ( 0.588 -4.581 -4.319) 6.324 4.852 ( -1.725 -6.087 -6.065) 8.764 5.229 ( 6.177 -11.683 -1.496) 13.300 5.325 ( 3.278 8.987 7.301) 12.034 5.467 ( -1.487 -15.873 2.002) 16.068 5.995 ( -0.993 2.765 0.269) 2.950 6.458 ( 5.847 -3.757 0.760) 6.992 6.506 ( 5.893 -1.938 -0.399) 6.216 6.802 ( 3.420 -12.024 -2.835) 12.819 6.991 ( -6.534 -8.403 5.657) 12.054 7.275 ( -0.350 2.214 -3.503) 4.159 7.599 ( 0.760 -0.842 2.257) 2.526 7.949 ( -0.740 8.919 0.220) 8.953 8.185 ( 0.777 -0.520 -8.502) 8.554 8.318 ( -0.521 -1.485 3.406) 3.752 8.529 ( -3.152 0.457 5.355) 6.231 8.765 ( -4.086 -1.421 -7.813) 8.931 9.396 ( -1.417 -1.259 -2.384) 3.045 9.974 ( 3.915 2.910 5.853) 7.619 10.144 ( -1.289 2.109 -0.052) 2.472 11.432 ( 0.067 -0.897 -4.163) 4.259 11.517 ( -4.756 5.721 -2.917) 7.991 13.152 ( 6.937 -5.323 -0.864) 8.787 13.622 ( -5.017 -2.238 2.826) 6.178 14.054 ( 4.042 4.569 1.723) 6.339 14.135 ( 1.249 -1.664 1.141) 2.373 16.353 ( -0.930 -1.116 -2.646) 3.019 16.952 ( -3.807 2.575 2.488) 5.226 17.477 ( -0.558 5.024 -6.797) 8.471 17.877 ( -1.529 4.068 -2.238) 4.888 20.250 ( 3.528 -7.472 7.308) 11.031 22.534 ( -1.033 -0.276 1.702) 2.010 ======================= Grid point 31 (24/336) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -0.000 23.292 -0.000) 23.292 1.143 ( -0.000 28.406 -0.000) 28.406 1.878 ( -0.000 1.342 -0.000) 1.342 1.886 ( -0.000 44.637 -0.000) 44.637 4.266 ( 0.000 -3.637 0.000) 3.637 4.873 ( 0.000 -5.778 0.000) 5.778 5.273 ( -0.000 7.541 -0.000) 7.541 5.424 ( 0.000 -11.317 0.000) 11.317 5.606 ( 0.000 -14.051 0.000) 14.051 5.957 ( -0.000 1.482 -0.000) 1.482 6.476 ( 0.000 -1.987 0.000) 1.987 6.645 ( -0.000 0.163 -0.000) 0.163 6.977 ( 0.000 -6.691 0.000) 6.691 6.987 ( 0.000 -15.010 0.000) 15.010 7.245 ( -0.000 0.481 -0.000) 0.481 7.671 ( 0.000 -5.550 0.000) 5.550 7.834 ( -0.000 9.940 -0.000) 9.940 8.139 ( 0.000 -0.612 0.000) 0.612 8.397 ( -0.000 0.370 -0.000) 0.370 8.453 ( -0.000 5.045 -0.000) 5.045 8.729 ( 0.000 -4.155 0.000) 4.155 9.381 ( 0.000 -0.318 0.000) 0.318 10.001 ( -0.000 3.319 -0.000) 3.319 10.111 ( -0.000 1.639 -0.000) 1.639 11.413 ( -0.000 6.696 -0.000) 6.696 11.438 ( 0.000 -3.332 0.000) 3.332 13.261 ( 0.000 -4.664 0.000) 4.664 13.600 ( 0.000 -2.127 0.000) 2.127 14.054 ( -0.000 4.929 -0.000) 4.929 14.166 ( 0.000 -1.743 0.000) 1.743 16.357 ( 0.000 -2.932 0.000) 2.932 16.905 ( -0.000 4.186 -0.000) 4.186 17.370 ( -0.000 7.084 -0.000) 7.084 17.856 ( 0.000 -0.513 0.000) 0.513 20.359 ( 0.000 -5.075 0.000) 5.075 22.533 ( 0.000 -0.257 0.000) 0.257 ======================= Grid point 36 (25/336) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -5.373 -0.000 7.276) 9.044 2.432 ( 11.097 0.000 -12.547) 16.750 2.662 ( 17.053 0.000 5.394) 17.886 3.483 ( -5.163 -0.000 -0.194) 5.167 4.051 ( -11.781 -0.000 0.877) 11.814 4.526 ( 2.564 0.000 -5.195) 5.794 4.955 ( -0.177 -0.000 -8.708) 8.710 5.283 ( -13.944 -0.000 4.452) 14.638 5.411 ( 6.740 0.000 16.601) 17.917 5.836 ( -2.234 -0.000 5.926) 6.333 6.193 ( 3.887 0.000 -7.702) 8.628 6.456 ( -8.301 -0.000 -6.119) 10.312 6.768 ( 1.414 0.000 -4.017) 4.258 7.019 ( 1.815 0.000 -3.827) 4.236 7.341 ( -5.294 -0.000 7.658) 9.310 7.617 ( -4.224 -0.000 8.657) 9.632 7.807 ( 8.166 0.000 5.614) 9.909 8.114 ( 1.114 0.000 -1.535) 1.897 8.396 ( -5.524 -0.000 0.833) 5.587 8.716 ( 1.413 0.000 -13.070) 13.146 9.151 ( 6.428 0.000 -1.327) 6.563 9.464 ( -6.815 -0.000 -6.512) 9.426 9.886 ( 2.684 0.000 0.362) 2.709 9.976 ( 0.996 0.000 9.991) 10.041 11.577 ( 2.489 0.000 -3.086) 3.964 11.963 ( 14.250 0.000 3.024) 14.568 12.674 ( -9.730 -0.000 -4.268) 10.625 13.727 ( -0.661 -0.000 -0.062) 0.664 13.900 ( 0.569 0.000 -1.372) 1.485 14.043 ( -3.267 -0.000 -0.492) 3.304 16.435 ( 5.597 0.000 -10.207) 11.641 17.093 ( 3.173 0.000 -15.154) 15.482 17.590 ( -10.398 -0.000 19.703) 22.278 18.328 ( 25.682 0.000 13.296) 28.920 19.802 ( -22.652 -0.000 -7.595) 23.891 22.538 ( 0.582 0.000 -2.450) 2.518 ======================= Grid point 37 (26/336) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -5.256 -0.459 4.565) 6.977 2.476 ( 5.158 4.307 -11.381) 13.217 2.889 ( 9.214 5.613 1.910) 10.957 3.319 ( -11.938 -2.870 -5.693) 13.533 3.955 ( -2.729 -2.599 2.084) 4.307 4.563 ( 3.721 -2.609 -3.190) 5.552 4.891 ( 1.665 3.113 -11.201) 11.745 5.122 ( -11.887 -5.921 2.542) 13.521 5.572 ( 3.088 3.613 12.649) 13.512 5.857 ( -0.341 -4.062 5.409) 6.773 6.150 ( 0.761 8.144 -6.480) 10.435 6.356 ( -4.006 -7.100 -4.737) 9.428 6.755 ( 1.993 2.111 -4.193) 5.100 6.997 ( -2.693 0.428 -2.735) 3.862 7.326 ( -0.758 0.721 4.403) 4.525 7.585 ( -6.473 -2.573 8.228) 10.781 7.964 ( 7.514 1.431 2.106) 7.934 8.138 ( 1.099 -0.512 5.237) 5.376 8.327 ( -4.905 -1.243 2.879) 5.822 8.680 ( 3.685 1.465 -12.181) 12.810 9.248 ( 4.732 -0.421 -2.901) 5.566 9.266 ( -8.126 -0.847 -12.398) 14.848 9.913 ( 2.379 5.767 5.087) 8.050 10.065 ( -0.146 -4.045 8.780) 9.668 11.577 ( 1.347 0.662 -5.987) 6.172 12.183 ( 11.166 6.920 1.600) 13.234 12.509 ( -9.136 -8.866 -4.518) 13.508 13.702 ( -1.696 1.325 0.853) 2.315 13.917 ( 2.148 0.234 0.134) 2.165 14.011 ( -0.724 -0.449 0.403) 0.943 16.466 ( 4.248 -1.160 -9.047) 10.062 17.057 ( 2.161 -2.223 -14.423) 14.753 17.543 ( -8.139 0.939 16.456) 18.382 18.752 ( 20.748 14.034 11.236) 27.453 19.420 ( -20.868 -11.372 -5.850) 24.475 22.535 ( -0.014 -0.051 -0.167) 0.176 ======================= Grid point 38 (27/336) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -4.440 -1.586 2.727) 5.447 2.366 ( -1.376 10.840 -12.023) 16.247 2.763 ( -8.424 16.960 -5.801) 19.806 3.219 ( -2.897 -4.890 -2.658) 6.274 4.007 ( 2.202 -5.250 0.564) 5.721 4.653 ( 4.525 -5.743 -2.214) 7.639 4.832 ( 1.415 -0.396 -11.098) 11.195 5.035 ( -9.604 -9.937 0.474) 13.828 5.606 ( 1.241 8.849 10.053) 13.451 5.966 ( 3.455 -3.910 4.954) 7.195 6.059 ( 1.686 2.619 -6.387) 7.106 6.347 ( -1.566 -3.560 -2.407) 4.573 6.762 ( 1.562 -0.950 -0.198) 1.839 6.892 ( -6.401 1.542 -3.118) 7.285 7.343 ( 1.607 1.013 0.234) 1.914 7.567 ( -6.058 -3.801 9.208) 11.659 8.038 ( 6.164 3.338 -4.152) 8.147 8.213 ( 0.143 -0.279 10.795) 10.799 8.301 ( -3.448 -3.117 3.935) 6.090 8.635 ( 2.074 3.844 -11.123) 11.950 9.035 ( -9.615 -1.559 -11.315) 14.929 9.332 ( 4.599 -1.998 -5.062) 7.125 9.930 ( 2.150 6.006 7.588) 9.914 10.138 ( -0.629 -3.266 5.858) 6.736 11.536 ( -0.223 0.604 -8.440) 8.464 12.085 ( -7.579 9.033 -5.183) 12.880 12.613 ( 7.882 -10.178 0.421) 12.881 13.667 ( -2.664 0.388 2.010) 3.360 13.963 ( 2.734 -0.648 0.976) 2.975 14.034 ( 2.579 0.718 2.192) 3.460 16.466 ( 1.483 0.642 -7.378) 7.553 17.027 ( -0.538 -4.382 -10.451) 11.345 17.520 ( -3.006 1.158 9.205) 9.752 18.655 ( -10.479 19.165 -1.275) 21.880 19.501 ( 8.550 -15.510 6.992) 19.040 22.535 ( -0.719 -0.166 1.636) 1.794 ======================= Grid point 39 (28/336) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -5.848 -1.862 -0.169) 6.140 2.085 ( -6.650 17.237 -14.245) 23.329 2.397 ( -8.841 18.837 -5.060) 21.415 3.159 ( -3.496 8.201 -0.168) 8.917 4.091 ( 1.990 -5.692 -2.512) 6.532 4.761 ( 2.553 -5.936 -10.092) 11.984 4.822 ( 1.844 -7.877 -4.115) 9.076 5.022 ( -6.899 -14.435 3.612) 16.402 5.592 ( 2.050 12.336 9.822) 15.901 6.025 ( 4.695 2.897 -0.775) 5.571 6.156 ( 6.060 -9.225 -2.673) 11.356 6.358 ( 2.380 -1.094 0.210) 2.627 6.747 ( -7.479 0.380 -3.222) 8.153 6.812 ( -0.909 -4.627 4.464) 6.493 7.348 ( 0.898 1.150 -2.745) 3.109 7.567 ( -4.179 -3.105 6.812) 8.574 8.073 ( 6.273 4.045 -4.977) 8.971 8.258 ( -1.195 0.104 8.558) 8.642 8.287 ( -5.444 -1.717 1.609) 5.931 8.551 ( 0.042 3.190 -6.491) 7.232 8.870 ( -6.117 -1.933 -8.011) 10.263 9.368 ( 1.110 -2.239 -4.635) 5.266 9.968 ( 2.838 4.329 7.676) 9.259 10.174 ( -0.972 -1.431 2.710) 3.215 11.465 ( -1.585 -0.410 -9.171) 9.316 11.836 ( -8.945 6.701 -4.890) 12.199 12.849 ( 10.761 -6.142 0.373) 12.397 13.630 ( -4.464 -1.206 2.692) 5.351 14.021 ( 2.239 -1.538 1.022) 2.903 14.098 ( 4.836 2.523 3.325) 6.388 16.419 ( -0.352 2.247 -5.569) 6.016 16.988 ( -3.969 -4.526 -4.358) 7.431 17.537 ( 2.927 1.577 0.123) 3.327 18.279 ( -14.862 11.720 -1.747) 19.008 19.843 ( 11.803 -8.986 8.343) 17.020 22.533 ( -1.156 -0.206 2.222) 2.514 ======================= Grid point 40 (29/336) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -13.106 10.796 -8.405) 18.946 1.792 ( 0.689 15.017 -7.993) 17.026 2.109 ( -4.532 16.723 0.754) 17.343 2.940 ( -5.194 22.899 0.902) 23.498 4.146 ( 0.920 -5.165 -2.993) 6.040 4.739 ( -1.792 -5.631 -7.357) 9.436 4.981 ( 4.717 -13.534 -2.572) 14.561 5.119 ( -3.777 -18.082 4.439) 18.999 5.559 ( 2.149 13.119 6.695) 14.884 6.051 ( 1.489 2.779 -0.793) 3.251 6.331 ( 6.382 -8.414 -2.537) 10.861 6.473 ( 8.360 -2.586 1.820) 8.938 6.639 ( -4.895 -5.009 -2.647) 7.487 6.849 ( -5.315 -6.002 6.007) 10.018 7.313 ( -0.767 1.482 -4.322) 4.633 7.577 ( -0.885 -1.755 3.164) 3.725 8.093 ( 3.193 5.925 -2.432) 7.156 8.174 ( -5.650 -0.527 -4.643) 7.332 8.307 ( 1.957 0.023 6.998) 7.267 8.529 ( 0.035 0.053 1.177) 1.179 8.749 ( -5.317 -0.412 -6.229) 8.200 9.364 ( -0.723 -1.928 -2.695) 3.391 10.026 ( 3.020 2.586 5.594) 6.863 10.168 ( -1.331 0.348 -0.070) 1.377 11.393 ( -2.312 -2.170 -6.563) 7.288 11.644 ( -4.280 6.568 -2.155) 8.130 13.060 ( 8.969 -4.246 -0.447) 9.933 13.579 ( -5.379 -2.214 2.370) 6.281 14.071 ( 1.290 -1.849 0.582) 2.329 14.163 ( 4.025 3.672 2.682) 6.072 16.362 ( -0.607 1.997 -3.145) 3.775 16.944 ( -3.587 -3.106 -0.578) 4.780 17.564 ( 4.395 4.347 -4.560) 7.682 17.978 ( -10.498 6.151 0.326) 12.172 20.116 ( 7.221 -6.632 5.749) 11.366 22.530 ( -0.901 -0.195 1.539) 1.794 ======================= Grid point 41 (30/336) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -0.000 19.813 -0.000) 19.813 1.616 ( -0.000 20.411 -0.000) 20.411 1.955 ( -0.000 8.952 -0.000) 8.952 2.622 ( -0.000 33.252 -0.000) 33.252 4.189 ( 0.000 -4.574 0.000) 4.574 4.756 ( 0.000 -6.368 0.000) 6.368 5.151 ( 0.000 -14.347 0.000) 14.347 5.280 ( 0.000 -19.263 0.000) 19.263 5.483 ( -0.000 11.729 -0.000) 11.729 6.022 ( -0.000 4.103 -0.000) 4.103 6.425 ( 0.000 -3.666 0.000) 3.666 6.616 ( 0.000 -3.668 0.000) 3.668 6.699 ( 0.000 -13.793 0.000) 13.793 6.846 ( 0.000 -5.898 0.000) 5.898 7.272 ( -0.000 1.659 -0.000) 1.659 7.606 ( 0.000 -2.295 0.000) 2.295 8.013 ( -0.000 8.709 -0.000) 8.709 8.131 ( 0.000 -0.296 0.000) 0.296 8.380 ( 0.000 -1.858 0.000) 1.858 8.526 ( -0.000 2.054 -0.000) 2.054 8.671 ( 0.000 -1.188 0.000) 1.188 9.363 ( 0.000 -1.452 0.000) 1.452 10.057 ( -0.000 2.396 -0.000) 2.396 10.139 ( -0.000 1.242 -0.000) 1.242 11.375 ( 0.000 -3.135 0.000) 3.135 11.544 ( -0.000 6.862 -0.000) 6.862 13.178 ( 0.000 -4.001 0.000) 4.001 13.556 ( 0.000 -2.501 0.000) 2.501 14.099 ( 0.000 -1.229 0.000) 1.229 14.173 ( -0.000 3.531 -0.000) 3.531 16.334 ( -0.000 0.541 -0.000) 0.541 16.934 ( 0.000 -1.152 0.000) 1.152 17.517 ( -0.000 8.206 -0.000) 8.206 17.865 ( -0.000 1.504 -0.000) 1.504 20.252 ( 0.000 -6.018 0.000) 6.018 22.529 ( 0.000 -0.212 0.000) 0.212 ======================= Grid point 48 (31/336) ======================= q-point: (-0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -5.006 -0.000 3.523) 6.121 2.474 ( 0.369 0.000 -12.329) 12.334 3.010 ( -16.277 -0.000 -8.378) 18.306 3.085 ( 8.644 0.000 0.551) 8.662 3.954 ( 2.024 0.000 1.602) 2.581 4.594 ( 3.688 0.000 -2.157) 4.272 4.847 ( 0.939 0.000 -16.450) 16.476 4.918 ( -11.215 -0.000 3.677) 11.803 5.719 ( 2.891 0.000 11.205) 11.572 5.869 ( 2.625 0.000 3.706) 4.542 6.210 ( 1.542 0.000 -4.463) 4.722 6.216 ( -2.559 -0.000 -1.456) 2.944 6.761 ( 2.339 0.000 -6.218) 6.643 6.911 ( -8.024 -0.000 1.137) 8.104 7.353 ( 1.189 0.000 0.661) 1.360 7.526 ( -5.589 -0.000 8.886) 10.497 8.071 ( 6.308 0.000 -4.607) 7.811 8.209 ( 0.747 0.000 12.178) 12.201 8.270 ( -3.780 -0.000 3.389) 5.077 8.680 ( 2.874 0.000 -10.033) 10.436 9.015 ( -10.589 -0.000 -12.181) 16.140 9.312 ( 4.705 0.000 -5.044) 6.898 10.018 ( 3.273 0.000 3.380) 4.705 10.076 ( -2.212 -0.000 9.821) 10.067 11.540 ( -0.544 -0.000 -9.012) 9.028 12.198 ( -14.488 -0.000 -6.789) 16.000 12.490 ( 16.059 0.000 1.964) 16.178 13.671 ( -3.564 -0.000 1.512) 3.872 13.953 ( 1.991 0.000 1.101) 2.275 14.045 ( 3.614 0.000 2.376) 4.325 16.475 ( 3.247 0.000 -7.718) 8.374 16.982 ( -0.188 -0.000 -12.104) 12.105 17.532 ( -4.066 -0.000 11.691) 12.378 18.893 ( -26.084 -0.000 -6.638) 26.915 19.299 ( 23.394 0.000 11.857) 26.227 22.533 ( -0.630 -0.000 1.387) 1.523 ======================= Grid point 50 (32/336) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -5.429 -0.808 1.442) 5.675 2.322 ( -5.379 7.011 -13.406) 16.057 2.685 ( -10.383 9.836 -5.744) 15.413 3.218 ( 5.534 -0.284 -0.168) 5.544 4.008 ( 1.875 -2.609 -0.227) 3.221 4.652 ( 3.056 -3.915 -3.051) 5.829 4.744 ( -1.658 -1.266 -13.394) 13.555 4.816 ( -8.268 -6.633 2.846) 10.975 5.792 ( 4.075 7.688 9.004) 12.522 6.003 ( 6.744 -6.146 1.844) 9.309 6.127 ( 2.059 7.733 -2.139) 8.283 6.283 ( 0.513 -7.177 1.001) 7.265 6.757 ( -10.898 0.443 1.822) 11.058 6.770 ( 1.721 -0.405 -3.812) 4.202 7.360 ( 0.338 0.273 -2.379) 2.418 7.514 ( -3.613 -1.940 7.881) 8.884 8.129 ( 6.207 1.738 -5.930) 8.759 8.229 ( -3.913 -1.199 0.752) 4.161 8.283 ( -1.745 -0.092 12.645) 12.765 8.626 ( -0.489 3.431 -8.598) 9.270 8.824 ( -6.199 -2.302 -7.538) 10.027 9.336 ( 1.545 -0.930 -4.799) 5.127 10.050 ( 1.191 4.348 5.867) 7.399 10.125 ( -0.296 -3.530 4.104) 5.422 11.457 ( -2.356 -0.248 -10.343) 10.611 11.930 ( -11.343 2.830 -4.903) 12.677 12.764 ( 14.759 -2.498 0.468) 14.976 13.613 ( -5.215 -0.461 2.252) 5.699 13.996 ( 1.938 -0.763 1.217) 2.412 14.135 ( 5.422 1.065 3.519) 6.551 16.463 ( 1.219 1.754 -5.804) 6.185 16.909 ( -2.814 -2.890 -7.915) 8.883 17.562 ( 2.015 0.816 5.066) 5.512 18.441 ( -21.738 4.861 -3.469) 22.543 19.718 ( 17.210 -3.792 8.838) 19.715 22.531 ( -1.014 -0.069 2.001) 2.244 ======================= Grid point 51 (33/336) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -6.923 0.997 -2.457) 7.414 2.067 ( -4.140 12.308 -7.977) 15.240 2.435 ( -3.787 15.098 -2.526) 15.769 3.237 ( 1.526 9.266 0.379) 9.398 4.054 ( 0.651 -4.296 -1.398) 4.564 4.653 ( -1.724 -3.202 -8.617) 9.353 4.753 ( 2.942 -9.963 -4.071) 11.157 4.822 ( -5.317 -12.271 5.053) 14.296 5.809 ( 3.003 12.523 7.052) 14.682 6.101 ( 1.799 2.948 -1.992) 3.987 6.189 ( 9.132 -6.057 -1.850) 11.113 6.395 ( 4.010 -6.008 3.248) 7.920 6.582 ( -11.165 -1.752 0.564) 11.316 6.785 ( -0.444 -0.991 0.821) 1.362 7.330 ( -1.068 0.397 -3.907) 4.070 7.534 ( -1.197 -2.414 4.365) 5.129 8.147 ( -1.443 0.120 -3.165) 3.480 8.184 ( 2.173 1.668 -4.483) 5.253 8.313 ( -2.374 0.426 10.963) 11.225 8.545 ( -0.470 1.582 -4.709) 4.990 8.741 ( -3.081 -0.624 -3.357) 4.599 9.330 ( -0.321 -1.479 -2.972) 3.336 10.069 ( 0.970 1.991 4.613) 5.117 10.159 ( -0.139 -1.071 0.688) 1.281 11.362 ( -2.733 -1.089 -7.385) 7.949 11.744 ( -5.226 3.882 -1.967) 6.801 12.998 ( 10.877 -2.337 -0.531) 11.138 13.545 ( -5.703 -1.366 2.162) 6.250 14.038 ( 1.147 -1.370 0.724) 1.928 14.220 ( 4.132 2.157 2.678) 5.376 16.417 ( -0.044 3.421 -3.311) 4.762 16.861 ( -2.987 -4.832 -3.326) 6.583 17.633 ( 6.545 2.833 -0.304) 7.138 18.083 ( -15.598 4.420 -0.386) 16.217 20.012 ( 9.255 -4.187 5.051) 11.344 22.527 ( -0.798 -0.089 1.418) 1.630 ======================= Grid point 52 (34/336) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -0.000 7.732 -0.000) 7.732 1.900 ( -0.000 12.788 -0.000) 12.788 2.241 ( -0.000 18.134 -0.000) 18.134 3.110 ( -0.000 18.712 -0.000) 18.712 4.098 ( 0.000 -4.963 0.000) 4.963 4.648 ( 0.000 -4.840 0.000) 4.840 4.887 ( 0.000 -12.814 0.000) 12.814 4.926 ( 0.000 -17.421 0.000) 17.421 5.729 ( -0.000 14.050 -0.000) 14.050 6.086 ( -0.000 2.491 -0.000) 2.491 6.342 ( 0.000 -4.754 0.000) 4.754 6.489 ( 0.000 -6.829 0.000) 6.829 6.530 ( 0.000 -6.890 0.000) 6.890 6.783 ( 0.000 -0.948 0.000) 0.948 7.296 ( -0.000 0.845 -0.000) 0.845 7.564 ( 0.000 -2.426 0.000) 2.426 8.107 ( -0.000 0.206 -0.000) 0.206 8.166 ( -0.000 4.915 -0.000) 4.915 8.343 ( 0.000 -1.674 0.000) 1.674 8.527 ( 0.000 -0.913 0.000) 0.913 8.689 ( -0.000 2.114 -0.000) 2.114 9.332 ( 0.000 -1.737 0.000) 1.737 10.086 ( -0.000 0.807 -0.000) 0.807 10.156 ( -0.000 0.562 -0.000) 0.562 11.327 ( 0.000 -1.856 0.000) 1.856 11.658 ( -0.000 5.008 -0.000) 5.008 13.116 ( 0.000 -2.573 0.000) 2.573 13.512 ( 0.000 -2.058 0.000) 2.058 14.065 ( 0.000 -1.829 0.000) 1.829 14.240 ( -0.000 3.062 -0.000) 3.062 16.372 ( -0.000 3.285 -0.000) 3.285 16.872 ( 0.000 -4.902 0.000) 4.902 17.661 ( -0.000 6.716 -0.000) 6.716 17.904 ( -0.000 2.357 -0.000) 2.357 20.146 ( 0.000 -5.049 0.000) 5.049 22.526 ( 0.000 -0.116 0.000) 0.116 ======================= Grid point 61 (35/336) ======================= q-point: (-0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -5.466 -0.000 -1.378) 5.637 2.191 ( -5.223 -0.000 -7.993) 9.548 2.591 ( -4.152 -0.000 -2.460) 4.826 3.316 ( 5.023 0.000 -0.256) 5.029 4.009 ( 0.186 0.000 -0.496) 0.530 4.625 ( -2.205 -0.000 -9.283) 9.542 4.646 ( 1.274 0.000 -3.742) 3.953 4.704 ( -4.529 -0.000 4.516) 6.396 5.950 ( 5.084 0.000 4.806) 6.996 6.124 ( 10.447 0.000 0.650) 10.468 6.161 ( -2.121 -0.000 -2.704) 3.436 6.292 ( 3.720 0.000 5.156) 6.358 6.568 ( -12.915 -0.000 1.269) 12.977 6.782 ( 1.425 0.000 -1.684) 2.206 7.332 ( -1.169 -0.000 -3.686) 3.867 7.507 ( -1.211 -0.000 4.935) 5.081 8.145 ( -4.158 -0.000 -1.966) 4.600 8.201 ( 6.086 0.000 -6.133) 8.640 8.318 ( -3.628 -0.000 12.215) 12.742 8.566 ( -2.391 -0.000 -7.342) 7.721 8.732 ( -1.006 -0.000 -1.525) 1.827 9.316 ( -0.218 -0.000 -3.111) 3.119 10.093 ( -1.394 -0.000 3.697) 3.951 10.142 ( 1.869 0.000 1.510) 2.403 11.352 ( -2.777 -0.000 -7.595) 8.087 11.781 ( -5.699 -0.000 -1.891) 6.005 12.975 ( 11.685 0.000 -0.640) 11.702 13.531 ( -5.859 -0.000 2.123) 6.232 14.025 ( 1.163 0.000 0.744) 1.381 14.241 ( 4.113 0.000 2.686) 4.913 16.458 ( 0.373 0.000 -3.182) 3.204 16.805 ( -2.925 -0.000 -4.415) 5.296 17.661 ( 7.063 0.000 1.400) 7.200 18.126 ( -17.241 -0.000 -0.924) 17.266 19.971 ( 9.997 0.000 4.836) 11.106 22.526 ( -0.759 -0.000 1.375) 1.570 ======================= Grid point 63 (36/336) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -0.000 1.167 -0.000) 1.167 2.094 ( -0.000 6.204 -0.000) 6.204 2.511 ( -0.000 8.580 -0.000) 8.580 3.332 ( -0.000 5.589 -0.000) 5.589 4.019 ( 0.000 -2.686 0.000) 2.686 4.585 ( 0.000 -1.740 0.000) 1.740 4.678 ( 0.000 -7.661 0.000) 7.661 4.709 ( 0.000 -5.283 0.000) 5.283 5.972 ( -0.000 9.898 -0.000) 9.898 6.115 ( -0.000 0.740 -0.000) 0.740 6.271 ( 0.000 -2.225 0.000) 2.225 6.381 ( 0.000 -6.253 0.000) 6.253 6.426 ( 0.000 -1.922 0.000) 1.922 6.786 ( -0.000 0.536 -0.000) 0.536 7.304 ( -0.000 0.155 -0.000) 0.155 7.522 ( 0.000 -1.526 0.000) 1.526 8.102 ( 0.000 -0.273 0.000) 0.273 8.232 ( -0.000 1.754 -0.000) 1.754 8.323 ( 0.000 -0.469 0.000) 0.469 8.516 ( 0.000 -0.206 0.000) 0.206 8.721 ( -0.000 0.960 -0.000) 0.960 9.306 ( 0.000 -0.822 0.000) 0.822 10.092 ( -0.000 0.035 -0.000) 0.035 10.162 ( -0.000 0.141 -0.000) 0.141 11.305 ( 0.000 -0.541 0.000) 0.541 11.723 ( -0.000 1.828 -0.000) 1.828 13.083 ( 0.000 -0.874 0.000) 0.874 13.484 ( 0.000 -0.804 0.000) 0.804 14.040 ( 0.000 -0.716 0.000) 0.716 14.280 ( -0.000 1.085 -0.000) 1.085 16.437 ( -0.000 2.686 -0.000) 2.686 16.783 ( 0.000 -3.467 0.000) 3.467 17.751 ( -0.000 2.630 -0.000) 2.630 17.939 ( -0.000 1.069 -0.000) 1.069 20.077 ( 0.000 -2.010 0.000) 2.010 22.524 ( 0.000 -0.033 0.000) 0.033 ======================= Grid point 125 (37/336) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -6.885 -0.000 25.161) 26.086 0.604 ( 14.168 0.000 30.533) 33.660 1.032 ( -0.943 -0.000 52.329) 52.337 2.069 ( -42.364 -0.000 0.251) 42.365 4.535 ( 3.184 0.000 0.381) 3.207 4.728 ( -2.921 -0.000 -9.956) 10.376 5.076 ( 4.762 0.000 6.016) 7.673 5.666 ( 5.419 0.000 -2.483) 5.961 5.689 ( 4.716 0.000 -4.209) 6.321 6.186 ( -7.237 -0.000 -4.118) 8.327 6.426 ( -11.085 -0.000 -4.372) 11.916 6.532 ( 6.103 0.000 2.362) 6.544 7.056 ( 4.003 0.000 3.346) 5.217 7.277 ( -1.153 -0.000 1.570) 1.948 7.330 ( 7.287 0.000 -4.856) 8.757 7.596 ( -2.657 -0.000 4.569) 5.285 7.743 ( -21.117 -0.000 1.674) 21.183 8.313 ( 3.715 0.000 1.691) 4.082 8.315 ( 2.579 0.000 -0.242) 2.590 8.792 ( 1.706 0.000 -1.699) 2.408 8.922 ( 18.945 0.000 -2.459) 19.104 9.442 ( -0.028 -0.000 6.350) 6.350 9.905 ( -7.307 -0.000 -4.361) 8.509 9.993 ( 1.040 0.000 -3.153) 3.320 11.273 ( -1.311 -0.000 0.435) 1.381 11.295 ( -2.189 -0.000 -2.040) 2.993 13.356 ( 5.508 0.000 -6.231) 8.316 13.657 ( -0.913 -0.000 1.369) 1.646 13.921 ( 0.432 0.000 -0.425) 0.606 14.281 ( 1.228 0.000 6.869) 6.978 16.499 ( -6.945 -0.000 -0.154) 6.946 16.514 ( 5.716 0.000 0.193) 5.719 16.980 ( 55.368 0.000 0.228) 55.368 17.223 ( -4.267 -0.000 -0.193) 4.272 20.929 ( -32.362 -0.000 0.073) 32.362 22.545 ( -2.241 -0.000 0.484) 2.293 ======================= Grid point 126 (38/336) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 10.824 -22.680 18.232) 31.048 1.158 ( 16.430 -8.912 29.799) 35.176 1.517 ( 26.493 -4.735 35.218) 44.324 1.885 ( 5.627 0.065 -1.354) 5.788 4.535 ( 1.931 6.273 3.344) 7.366 4.693 ( -1.850 -9.736 -8.596) 13.119 5.172 ( 2.406 1.188 6.397) 6.937 5.650 ( -2.564 8.011 0.741) 8.444 5.741 ( 1.061 -1.797 -0.253) 2.102 6.014 ( -2.203 6.027 -8.103) 10.337 6.232 ( -10.635 -3.964 -5.942) 12.811 6.654 ( 6.901 1.581 3.225) 7.780 7.072 ( -2.661 -1.003 -1.113) 3.053 7.286 ( 0.902 1.288 3.974) 4.274 7.354 ( -2.789 9.447 -2.023) 10.055 7.540 ( -1.105 -4.394 3.485) 5.716 7.561 ( -9.096 -5.569 0.531) 10.679 8.333 ( -4.129 1.668 4.828) 6.568 8.381 ( 5.216 -0.336 -5.288) 7.435 8.802 ( 6.153 7.670 6.384) 11.724 8.967 ( 1.230 4.336 6.422) 7.845 9.502 ( 1.477 -0.492 7.128) 7.296 9.759 ( -5.809 -0.583 -8.215) 10.078 9.981 ( -1.645 -3.493 -3.658) 5.318 11.288 ( -0.133 -4.541 -2.205) 5.049 11.395 ( 6.041 -5.863 -1.784) 8.605 13.254 ( -7.058 0.800 -6.039) 9.323 13.657 ( 0.233 0.663 1.161) 1.357 13.931 ( 1.490 0.989 -1.708) 2.473 14.273 ( -2.455 3.896 7.272) 8.607 16.417 ( -5.403 -3.962 -2.519) 7.158 16.668 ( 10.164 -3.059 1.274) 10.690 17.172 ( -3.627 -6.348 -4.125) 8.395 17.767 ( 30.571 -4.495 -14.171) 33.994 20.529 ( -12.055 8.894 8.440) 17.195 22.520 ( -0.957 0.233 -0.936) 1.359 ======================= Grid point 127 (39/336) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 14.758 -17.619 15.473) 27.707 1.619 ( 10.089 -11.053 26.065) 30.056 1.940 ( 8.153 3.128 -6.926) 11.146 2.310 ( 33.584 -10.683 22.754) 41.949 4.504 ( -1.050 1.874 -3.255) 3.900 4.752 ( 3.375 -5.189 -1.478) 6.364 5.159 ( -7.771 1.712 2.549) 8.356 5.491 ( -6.550 9.978 7.073) 13.874 5.726 ( -0.561 3.664 -1.724) 4.088 5.924 ( 1.072 3.617 -8.588) 9.380 6.122 ( -4.715 -5.799 -2.036) 7.747 6.723 ( 2.172 5.175 0.162) 5.614 6.990 ( -6.152 1.332 -2.350) 6.719 7.167 ( -3.834 8.532 3.328) 9.928 7.326 ( -0.178 0.578 3.698) 3.747 7.508 ( -0.031 -3.690 -5.035) 6.242 7.618 ( -0.215 -6.095 1.333) 6.243 8.242 ( -5.791 3.155 4.413) 7.935 8.398 ( 3.440 1.165 -8.961) 9.669 8.918 ( 5.814 8.828 6.063) 12.186 9.015 ( 2.543 -3.627 10.355) 11.263 9.565 ( -1.603 -1.112 6.922) 7.191 9.628 ( -1.986 2.391 -6.906) 7.573 9.981 ( -0.591 -5.436 -3.999) 6.774 11.346 ( 2.056 -6.081 -0.812) 6.470 11.524 ( 3.495 -6.462 1.920) 7.593 13.104 ( -5.563 0.434 -6.925) 8.893 13.661 ( 0.572 1.665 0.981) 2.015 13.919 ( 0.192 1.430 -3.012) 3.340 14.237 ( -2.199 4.161 5.228) 7.034 16.377 ( -2.346 -5.344 -3.733) 6.928 16.900 ( 14.080 -1.382 2.693) 14.401 17.166 ( -2.968 -10.636 -7.065) 13.109 18.012 ( 4.653 -1.229 5.505) 7.312 20.366 ( -0.994 11.973 -2.646) 12.303 22.497 ( -0.345 0.084 -2.320) 2.347 ======================= Grid point 128 (40/336) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 12.199 -6.444 0.523) 13.806 1.988 ( 8.731 -5.060 3.574) 10.705 2.039 ( 6.824 -8.745 22.501) 25.087 3.016 ( 26.691 -9.428 13.856) 31.516 4.433 ( -2.970 2.606 -3.432) 5.233 4.819 ( 0.327 -0.450 -3.038) 3.089 4.948 ( -12.412 1.743 -1.776) 12.659 5.379 ( -5.811 4.036 11.320) 13.350 5.672 ( 4.208 9.228 -4.637) 11.152 5.850 ( -2.821 0.274 -5.054) 5.794 6.152 ( -0.593 -6.791 2.983) 7.441 6.617 ( -3.266 9.421 -3.466) 10.556 6.813 ( -8.160 4.341 -4.337) 10.210 7.150 ( 1.028 0.568 3.017) 3.237 7.344 ( 1.319 3.070 7.068) 7.818 7.526 ( 2.801 -3.250 -11.667) 12.431 7.671 ( 0.600 -3.427 4.035) 5.328 8.173 ( -2.600 1.433 1.942) 3.548 8.378 ( 1.801 1.133 -7.388) 7.688 8.870 ( -2.805 3.458 -2.212) 4.972 9.187 ( 1.635 -4.627 10.004) 11.142 9.489 ( -2.151 4.331 0.164) 4.838 9.656 ( 2.097 0.526 6.001) 6.378 10.004 ( 0.432 -4.366 -3.815) 5.814 11.441 ( 2.022 -5.092 2.315) 5.948 11.667 ( 3.867 -8.025 3.770) 9.673 12.993 ( -2.372 0.008 -7.593) 7.955 13.649 ( -0.249 3.059 1.062) 3.248 13.878 ( -1.075 1.128 -3.663) 3.980 14.189 ( -2.158 3.606 3.142) 5.248 16.401 ( 0.999 -7.356 -4.629) 8.748 17.112 ( 5.876 -1.853 -3.562) 7.117 17.228 ( 6.722 -8.404 -1.629) 10.884 18.081 ( -4.556 -0.245 17.288) 17.880 20.210 ( 0.207 12.837 -8.409) 15.348 22.482 ( 0.492 -0.433 -3.196) 3.262 ======================= Grid point 129 (41/336) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 4.469 3.563 -14.659) 15.734 2.267 ( 4.621 -7.694 21.681) 23.465 2.388 ( 9.762 -9.989 10.479) 17.461 3.464 ( 12.718 -4.940 5.654) 14.769 4.300 ( -6.504 7.613 0.799) 10.045 4.706 ( -7.846 -5.019 -4.906) 10.527 4.793 ( -3.826 4.993 -6.139) 8.790 5.394 ( -0.459 -0.497 12.586) 12.604 5.625 ( 4.156 8.718 -4.654) 10.721 5.771 ( -3.180 -0.528 -5.173) 6.095 6.217 ( -2.146 -4.884 2.221) 5.778 6.466 ( -0.825 8.099 -4.717) 9.409 6.659 ( -4.027 2.137 0.079) 4.560 7.144 ( -2.894 -2.131 -2.757) 4.529 7.372 ( 0.735 4.607 3.127) 5.616 7.536 ( 4.806 -2.612 -8.900) 10.446 7.760 ( 4.461 0.823 5.502) 7.131 8.143 ( -0.870 0.596 -0.070) 1.056 8.351 ( -0.119 -0.030 -3.637) 3.639 8.781 ( -2.844 -1.816 -7.865) 8.558 9.222 ( -6.067 -3.009 6.253) 9.217 9.472 ( 1.961 3.690 0.986) 4.293 9.714 ( 0.664 0.742 7.729) 7.793 10.037 ( 1.897 -1.930 -0.122) 2.709 11.513 ( -0.416 -2.731 3.992) 4.855 11.829 ( 3.862 -7.070 3.403) 8.745 12.940 ( 0.531 -1.159 -6.674) 6.794 13.611 ( -0.971 3.720 1.042) 3.983 13.830 ( -1.071 0.438 -3.192) 3.395 14.145 ( -1.708 2.060 1.679) 3.159 16.484 ( 3.131 -8.925 -5.001) 10.699 17.128 ( -1.790 -7.731 -9.621) 12.471 17.440 ( 12.012 3.261 5.094) 13.449 18.090 ( -8.428 1.228 21.138) 22.790 20.048 ( 0.510 9.125 -10.686) 14.061 22.487 ( 1.435 -1.137 -2.639) 3.212 ======================= Grid point 130 (42/336) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 2.756 3.004 -15.658) 16.180 2.464 ( -2.964 -4.615 18.352) 19.154 2.603 ( 1.870 -2.530 5.469) 6.309 3.592 ( -0.544 -1.486 -2.349) 2.833 4.154 ( -3.569 5.489 4.439) 7.910 4.633 ( -1.178 2.278 -7.571) 7.994 4.691 ( -1.645 -5.298 -3.889) 6.775 5.419 ( -1.470 6.708 3.614) 7.760 5.628 ( 1.993 -1.453 2.762) 3.703 5.702 ( 0.510 1.997 -7.460) 7.740 6.165 ( -3.862 0.160 -6.448) 7.518 6.406 ( 1.438 2.485 -1.474) 3.227 6.668 ( 1.503 -1.782 7.168) 7.537 7.079 ( -4.032 -2.736 -6.916) 8.460 7.328 ( -1.703 0.820 -3.113) 3.642 7.609 ( 6.333 0.520 -3.463) 7.236 7.824 ( 4.475 7.440 2.666) 9.082 8.150 ( 0.848 -0.706 3.350) 3.527 8.337 ( -0.973 -2.275 -0.988) 2.664 8.723 ( -1.831 -5.321 -10.636) 12.033 9.189 ( -3.554 1.063 6.315) 7.324 9.433 ( -3.278 -1.036 -5.492) 6.479 9.759 ( -0.258 1.070 8.937) 9.004 10.101 ( 3.043 0.768 5.023) 5.923 11.522 ( -2.774 -0.446 2.864) 4.012 11.933 ( 0.776 -2.506 1.875) 3.224 12.945 ( 1.722 -2.525 -4.361) 5.325 13.576 ( -0.171 2.320 1.147) 2.594 13.809 ( 0.657 -0.641 -2.024) 2.222 14.120 ( -1.129 0.287 1.154) 1.640 16.587 ( 1.884 -8.999 -4.361) 10.176 17.106 ( -1.464 -7.334 -10.826) 13.158 17.584 ( 7.870 9.186 9.217) 15.207 18.027 ( -10.296 5.614 16.576) 20.305 19.958 ( 2.691 0.787 -9.816) 10.208 22.518 ( 1.986 -1.732 -0.675) 2.720 ======================= Grid point 131 (43/336) ======================= q-point: (-0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -0.129 1.993 -15.992) 16.116 2.468 ( -9.252 4.269 8.870) 13.509 2.547 ( -11.511 0.520 8.635) 14.399 3.481 ( -9.067 2.489 -6.733) 11.565 4.160 ( 2.199 -2.335 2.435) 4.027 4.601 ( 6.243 1.687 -6.614) 9.250 4.741 ( 2.102 -7.079 -2.128) 7.685 5.297 ( -2.973 10.944 -0.797) 11.368 5.627 ( -2.342 -1.426 -6.727) 7.264 5.732 ( 6.399 1.257 0.612) 6.550 6.077 ( -1.975 -1.838 -5.725) 6.329 6.443 ( 3.681 -2.527 -0.101) 4.466 6.779 ( 2.799 -2.562 8.912) 9.686 6.984 ( -4.585 -3.484 -10.964) 12.385 7.281 ( -1.632 0.010 -2.765) 3.211 7.667 ( 4.672 3.427 -1.014) 5.882 7.822 ( 5.619 9.286 -0.663) 10.874 8.180 ( -3.912 -0.655 7.574) 8.550 8.374 ( 3.475 -3.748 -1.095) 5.227 8.684 ( -2.405 -6.782 -10.336) 12.594 9.130 ( -3.297 5.057 -2.827) 6.666 9.378 ( -2.720 -5.479 -1.250) 6.243 9.794 ( -0.722 1.260 8.981) 9.097 10.161 ( 1.706 2.871 6.546) 7.349 11.477 ( -3.776 0.785 1.252) 4.055 11.915 ( -3.678 2.363 0.433) 4.393 12.980 ( 1.798 -2.963 -2.108) 4.056 13.585 ( 1.515 -0.117 1.547) 2.169 13.842 ( 2.787 -1.898 -0.780) 3.461 14.113 ( -0.884 -0.789 0.891) 1.482 16.629 ( -3.709 -6.702 -2.780) 8.149 17.111 ( 2.516 -6.939 -11.185) 13.401 17.639 ( 2.439 10.933 13.102) 17.238 17.846 ( -10.718 11.931 7.137) 17.554 20.011 ( 5.810 -7.832 -6.761) 11.866 22.568 ( 1.498 -1.892 1.595) 2.893 ======================= Grid point 132 (44/336) ======================= q-point: (-0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -7.915 2.527 -12.120) 14.694 2.139 ( -19.928 12.612 -3.092) 23.786 2.483 ( -9.668 -5.074 16.095) 19.449 3.160 ( -18.567 10.999 -6.442) 22.522 4.231 ( 1.043 -7.034 -5.741) 9.139 4.720 ( 10.944 -1.377 -3.322) 11.520 4.866 ( 6.683 -7.303 -1.738) 10.051 5.143 ( -0.870 13.195 -0.114) 13.224 5.552 ( 0.348 2.160 -10.128) 10.362 5.841 ( 7.367 -1.006 1.154) 7.524 6.095 ( 1.169 -6.731 -0.027) 6.831 6.562 ( 5.257 -6.917 0.096) 8.689 6.836 ( -6.834 -5.837 -7.557) 11.742 6.940 ( 6.618 0.562 2.546) 7.113 7.229 ( -2.068 2.218 -1.985) 3.625 7.688 ( 3.840 5.876 0.362) 7.029 7.834 ( 5.565 6.505 -1.959) 8.782 8.124 ( -8.692 -0.699 7.350) 11.405 8.483 ( 5.711 -3.297 -1.049) 6.678 8.647 ( -2.966 -7.116 -9.145) 11.961 8.962 ( -6.074 4.634 -9.361) 12.083 9.428 ( 0.769 -4.366 3.886) 5.895 9.821 ( -0.300 1.445 6.852) 7.009 10.172 ( -0.614 4.644 5.794) 7.451 11.419 ( -3.318 0.232 1.317) 3.578 11.797 ( -6.525 4.287 0.162) 7.809 13.031 ( 2.388 -2.588 -1.014) 3.665 13.636 ( 2.324 -1.150 2.089) 3.330 13.909 ( 2.795 -2.425 -0.178) 3.704 14.114 ( -0.544 -1.013 0.191) 1.166 16.571 ( -7.174 -4.198 -1.686) 8.481 17.168 ( 3.419 -6.117 -9.669) 11.941 17.554 ( -13.245 9.421 6.007) 17.328 17.643 ( 3.094 16.469 6.784) 18.078 20.189 ( 7.597 -12.590 -3.723) 15.169 22.612 ( -0.026 -1.578 3.131) 3.507 ======================= Grid point 133 (45/336) ======================= q-point: (-0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -16.185 3.244 -1.734) 16.598 1.620 ( -25.904 12.352 -5.163) 29.159 2.510 ( -8.301 -5.092 10.223) 14.119 2.616 ( -26.353 15.577 2.256) 30.696 4.252 ( -0.008 -6.597 -9.695) 11.726 4.859 ( 5.240 -2.429 -3.935) 6.989 5.038 ( 4.250 8.063 -3.158) 9.646 5.073 ( 9.932 -3.068 1.842) 10.557 5.502 ( 5.340 4.078 -9.824) 11.902 6.024 ( 9.840 -4.681 4.838) 11.922 6.210 ( 2.030 -8.280 3.501) 9.216 6.706 ( -6.875 -4.869 -10.243) 13.262 6.732 ( 7.349 -7.570 -0.954) 10.594 7.097 ( 8.664 0.112 5.468) 10.246 7.145 ( -1.530 5.107 -4.368) 6.892 7.681 ( 1.216 5.657 1.053) 5.881 7.846 ( 5.083 4.475 -4.455) 8.106 8.028 ( -9.800 -1.360 8.556) 13.081 8.564 ( -0.485 -3.095 -4.179) 5.223 8.629 ( 1.493 -5.253 -5.824) 7.984 8.766 ( -5.981 4.086 -7.594) 10.495 9.491 ( -1.118 -2.441 4.716) 5.427 9.849 ( 2.358 1.528 2.653) 3.864 10.130 ( -2.179 5.731 4.829) 7.804 11.390 ( -2.600 -1.278 2.829) 4.049 11.654 ( -6.739 2.909 0.682) 7.372 13.091 ( 3.320 -1.732 -1.392) 3.995 13.693 ( 1.779 -0.142 2.731) 3.262 13.952 ( 0.013 -1.652 -0.660) 1.778 14.124 ( 1.070 -1.008 -0.716) 1.635 16.487 ( -6.158 -3.560 -1.228) 7.218 17.124 ( -9.004 4.222 -0.838) 9.980 17.352 ( 1.212 3.722 -10.510) 11.215 17.573 ( -0.643 13.812 8.264) 16.108 20.426 ( 7.747 -14.213 -0.707) 16.202 22.631 ( -1.814 -1.084 3.720) 4.278 ======================= Grid point 134 (46/336) ======================= q-point: (-0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -20.730 2.137 11.529) 23.816 1.056 ( -27.686 9.738 0.868) 29.362 1.862 ( -33.787 28.715 3.291) 44.463 2.637 ( -8.514 -19.193 13.161) 24.781 4.258 ( 2.008 -3.562 -6.874) 7.998 4.907 ( 3.565 1.427 -0.359) 3.857 4.992 ( 2.157 7.222 -4.732) 8.899 5.307 ( 12.182 -6.074 -2.869) 13.911 5.534 ( 9.267 3.512 -7.677) 12.536 6.225 ( -2.215 -9.792 6.679) 12.058 6.373 ( 10.396 -2.795 6.535) 12.593 6.589 ( -4.409 -2.432 -8.657) 10.015 6.916 ( 6.599 -3.811 -1.214) 7.717 7.048 ( -0.341 0.415 -4.687) 4.718 7.261 ( 9.247 1.849 -0.180) 9.432 7.635 ( -0.508 6.000 2.338) 6.459 7.881 ( 7.572 1.898 -5.860) 9.761 7.967 ( -7.481 -3.411 13.344) 15.673 8.483 ( -4.301 2.440 -5.958) 7.743 8.595 ( -8.793 -1.409 -1.853) 9.096 8.711 ( 4.980 -1.610 -4.832) 7.123 9.483 ( -4.425 -0.341 4.416) 6.261 9.905 ( 5.085 1.207 -0.595) 5.260 10.065 ( -2.422 5.163 3.590) 6.739 11.376 ( -3.847 -1.865 2.674) 5.043 11.557 ( -4.335 -0.502 1.718) 4.689 13.145 ( 3.865 0.043 -2.869) 4.814 13.718 ( 0.024 1.973 2.824) 3.445 13.939 ( -1.221 -0.164 -1.249) 1.754 14.155 ( 1.977 -1.017 -1.205) 2.528 16.438 ( -2.959 -3.658 -1.210) 4.858 16.892 ( -9.152 9.426 1.609) 13.236 17.279 ( 0.592 2.832 -19.844) 20.054 17.461 ( -2.589 12.997 4.933) 14.141 20.697 ( 7.642 -16.150 3.509) 18.208 22.621 ( -3.076 -0.738 3.546) 4.752 ======================= Grid point 135 (47/336) ======================= q-point: (-0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -26.446 -2.805 10.050) 28.430 0.772 ( -14.947 10.216 31.583) 36.404 1.092 ( -31.389 28.048 22.116) 47.550 2.683 ( -23.087 -27.265 -8.608) 36.749 4.349 ( 7.759 -5.189 2.808) 9.747 4.894 ( 1.789 11.825 -9.420) 15.224 4.973 ( 3.855 -0.845 2.291) 4.563 5.530 ( 11.388 -4.116 -3.259) 12.540 5.618 ( 8.307 1.266 -5.626) 10.113 6.238 ( -7.369 -6.893 4.722) 11.141 6.504 ( -1.429 -1.655 -6.636) 6.987 6.560 ( 0.461 1.974 5.276) 5.652 6.943 ( 6.109 2.150 -2.203) 6.841 7.169 ( 4.683 -10.007 0.887) 11.084 7.325 ( 5.426 4.475 -5.950) 9.213 7.604 ( 0.414 5.788 3.828) 6.951 7.963 ( 3.374 0.828 -6.374) 7.259 8.115 ( 9.823 -11.866 20.191) 25.397 8.344 ( -4.908 2.490 -3.665) 6.613 8.472 ( -2.820 3.036 8.944) 9.858 8.767 ( 3.295 -1.241 -3.593) 5.030 9.439 ( -3.462 0.474 4.848) 5.976 9.958 ( 1.433 0.037 -0.314) 1.468 10.009 ( 0.147 4.051 -0.493) 4.083 11.330 ( -5.074 -2.839 -0.047) 5.815 11.503 ( -5.927 1.144 -3.496) 6.976 13.191 ( 6.997 2.814 -0.073) 7.542 13.690 ( -1.757 3.004 1.472) 3.778 13.923 ( 0.409 0.892 -0.253) 1.014 14.190 ( 2.090 -1.100 0.786) 2.489 16.450 ( 1.735 -2.657 -1.037) 3.338 16.712 ( -0.800 13.251 2.975) 13.605 16.944 ( -14.874 18.119 -27.889) 36.432 17.324 ( -4.999 7.026 3.321) 9.241 21.018 ( 5.613 -21.774 1.270) 22.521 22.590 ( -3.780 -0.553 2.183) 4.400 ======================= Grid point 137 (48/336) ======================= q-point: ( 0.09 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 23.029 0.000 15.799) 27.927 1.509 ( 10.736 0.000 28.822) 30.757 1.975 ( 9.847 0.000 -10.304) 14.253 2.213 ( 33.994 0.000 26.493) 43.099 4.515 ( -1.603 -0.000 -11.539) 11.650 4.704 ( 5.457 0.000 7.549) 9.315 5.174 ( -7.889 -0.000 3.023) 8.449 5.630 ( -10.974 -0.000 6.497) 12.753 5.705 ( -0.269 -0.000 3.272) 3.283 5.998 ( 4.629 0.000 -13.007) 13.806 6.048 ( -6.418 -0.000 -4.068) 7.599 6.778 ( 4.235 0.000 1.803) 4.603 6.978 ( -6.232 -0.000 -1.105) 6.330 7.311 ( -4.441 -0.000 12.039) 12.832 7.318 ( -10.239 -0.000 -2.483) 10.535 7.423 ( 6.580 0.000 -9.958) 11.935 7.569 ( 1.086 0.000 5.473) 5.580 8.282 ( -7.193 -0.000 7.107) 10.112 8.408 ( 3.864 0.000 -10.992) 11.651 8.958 ( 5.441 0.000 11.346) 12.583 9.028 ( -1.837 -0.000 1.210) 2.200 9.550 ( -0.930 -0.000 6.783) 6.846 9.682 ( 1.684 0.000 -4.242) 4.564 9.901 ( -1.977 -0.000 -4.202) 4.644 11.283 ( 4.835 0.000 -3.923) 6.226 11.456 ( 3.589 0.000 2.703) 4.492 13.101 ( -6.917 -0.000 -5.936) 9.115 13.678 ( 1.066 0.000 0.971) 1.442 13.940 ( 0.817 0.000 -4.214) 4.293 14.283 ( -3.622 -0.000 6.588) 7.518 16.306 ( -2.551 -0.000 -5.324) 5.904 16.888 ( 15.559 0.000 4.761) 16.271 17.065 ( -1.988 -0.000 -6.643) 6.934 17.998 ( 6.809 0.000 2.814) 7.367 20.490 ( -2.546 -0.000 -2.010) 3.244 22.498 ( -0.543 -0.000 -2.424) 2.485 ======================= Grid point 138 (49/336) ======================= q-point: ( 0.18 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 22.296 -4.199 13.040) 26.169 1.843 ( 11.162 -5.228 13.512) 18.289 2.029 ( 3.319 1.381 1.068) 3.750 2.892 ( 29.658 -3.398 17.221) 34.463 4.437 ( -0.371 -0.797 -10.058) 10.097 4.834 ( 4.982 1.165 3.452) 6.172 4.962 ( -16.957 0.054 -0.018) 16.958 5.464 ( -10.328 3.791 8.602) 13.965 5.752 ( 1.264 -0.623 2.845) 3.175 5.904 ( -3.098 5.633 -4.924) 8.098 6.035 ( 1.732 -5.431 -5.305) 7.787 6.765 ( -2.057 5.650 -1.978) 6.330 6.864 ( -7.487 0.669 -2.925) 8.066 7.132 ( -7.952 -1.663 -2.910) 8.630 7.378 ( 3.365 0.042 11.096) 11.596 7.498 ( 7.119 1.218 -8.245) 10.961 7.616 ( -0.311 -2.613 6.584) 7.090 8.208 ( -5.649 1.666 6.383) 8.685 8.387 ( 2.973 -0.018 -12.673) 13.017 8.916 ( -6.702 1.248 -8.264) 10.713 9.110 ( 1.767 -2.725 10.565) 11.053 9.555 ( -1.744 1.394 5.834) 6.247 9.721 ( 5.453 6.632 3.584) 9.304 9.897 ( 0.540 -6.760 -3.466) 7.616 11.382 ( 7.772 -1.200 -0.955) 7.922 11.542 ( 2.198 -4.353 4.980) 6.970 12.972 ( -4.806 -1.167 -6.980) 8.554 13.696 ( 0.994 1.446 1.053) 2.046 13.907 ( -0.456 1.294 -5.030) 5.214 14.243 ( -4.147 1.775 4.103) 6.098 16.272 ( 0.045 -4.715 -6.699) 8.192 17.016 ( -0.893 -3.743 -8.587) 9.410 17.204 ( 19.368 0.970 6.630) 20.494 18.073 ( -3.331 -0.433 14.725) 15.104 20.389 ( -3.443 5.349 -8.052) 10.261 22.477 ( 0.247 -0.152 -3.711) 3.722 ======================= Grid point 139 (50/336) ======================= q-point: ( 0.27 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 7.078 4.298 -13.808) 16.100 2.157 ( 10.604 -4.740 17.324) 20.857 2.217 ( 10.397 -7.242 16.693) 20.957 3.378 ( 15.906 -3.519 8.282) 18.275 4.387 ( -0.982 1.155 -5.314) 5.526 4.642 ( -16.798 -0.946 -1.507) 16.892 4.878 ( -0.285 3.380 -6.706) 7.515 5.399 ( -2.446 1.507 14.953) 15.226 5.734 ( -6.973 -2.911 -2.529) 7.969 5.799 ( 3.354 9.000 -3.853) 10.349 6.104 ( 0.398 -6.716 1.530) 6.899 6.626 ( -3.733 8.171 -5.811) 10.699 6.708 ( -5.366 2.673 -1.386) 6.153 7.057 ( -5.093 -6.669 -4.875) 9.704 7.478 ( -0.696 6.148 -0.698) 6.226 7.513 ( 8.118 0.387 -0.117) 8.128 7.731 ( 3.968 -3.957 9.850) 11.332 8.157 ( -3.044 1.022 4.084) 5.195 8.355 ( 1.802 0.314 -10.218) 10.380 8.745 ( -5.869 -1.769 -12.547) 13.965 9.167 ( -3.566 -2.550 7.472) 8.664 9.549 ( -0.802 3.435 2.020) 4.065 9.748 ( 2.389 3.258 2.625) 4.818 9.988 ( 3.801 -3.240 4.340) 6.617 11.495 ( 4.064 1.090 3.770) 5.649 11.688 ( 5.514 -7.690 3.718) 10.167 12.886 ( -3.218 -3.374 -7.268) 8.635 13.690 ( 0.284 3.640 1.302) 3.876 13.853 ( -0.528 1.641 -4.673) 4.981 14.177 ( -4.179 1.308 1.716) 4.703 16.312 ( 2.336 -8.177 -7.152) 11.111 16.993 ( -0.566 -5.327 -9.826) 11.191 17.542 ( 20.161 5.808 7.727) 22.359 18.096 ( -7.567 -0.651 21.253) 22.569 20.191 ( -6.629 5.751 -11.478) 14.448 22.470 ( 1.373 -0.641 -3.763) 4.057 ======================= Grid point 140 (51/336) ======================= q-point: ( 0.36 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 3.197 5.005 -15.651) 16.740 2.388 ( 0.489 -3.146 19.810) 20.064 2.548 ( 11.224 -3.498 7.387) 13.885 3.550 ( 0.146 -2.093 -0.667) 2.201 4.255 ( -9.587 4.452 3.603) 11.168 4.522 ( -1.045 -7.635 -5.565) 9.506 4.746 ( -2.194 4.927 -10.470) 11.778 5.485 ( 0.516 0.943 14.967) 15.006 5.612 ( -7.296 -1.311 -3.545) 8.217 5.764 ( 4.265 6.222 -5.101) 9.107 6.142 ( -2.805 -3.125 -1.582) 4.487 6.483 ( -1.419 3.780 -5.266) 6.636 6.655 ( 0.223 1.324 4.065) 4.281 7.001 ( -4.339 -5.431 -8.553) 11.022 7.387 ( -1.566 5.565 -2.373) 6.249 7.623 ( 7.196 0.580 -2.706) 7.710 7.888 ( 2.972 -0.823 11.277) 11.691 8.145 ( -0.120 0.276 4.321) 4.332 8.316 ( 0.374 0.420 -6.634) 6.658 8.628 ( -2.838 -4.493 -12.983) 14.028 9.179 ( -1.920 -1.870 6.857) 7.362 9.449 ( -5.692 2.263 -7.714) 9.850 9.789 ( 2.012 1.993 5.821) 6.473 10.109 ( 3.839 0.109 8.814) 9.614 11.535 ( -0.182 1.703 3.988) 4.340 11.867 ( 5.975 -4.342 2.309) 7.739 12.843 ( -2.987 -6.796 -6.290) 9.730 13.659 ( 0.299 5.137 1.531) 5.368 13.816 ( 0.901 1.189 -3.281) 3.605 14.118 ( -3.271 -0.418 0.587) 3.349 16.399 ( 2.773 -9.829 -6.894) 12.322 16.978 ( -0.080 -5.740 -10.358) 11.843 17.787 ( 11.657 11.471 11.300) 19.879 18.114 ( -4.155 2.688 19.589) 20.205 19.965 ( -7.499 0.106 -12.659) 14.714 22.490 ( 2.264 -1.236 -2.177) 3.375 ======================= Grid point 141 (52/336) ======================= q-point: (-0.55 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 2.409 5.212 -16.658) 17.620 2.466 ( -6.994 -1.093 16.903) 18.325 2.652 ( -1.629 6.828 2.190) 7.354 3.475 ( -7.396 -2.131 -5.656) 9.552 4.142 ( -4.416 -0.620 3.339) 5.571 4.580 ( 2.873 -5.222 -5.887) 8.377 4.662 ( 3.508 0.105 -7.197) 8.007 5.490 ( -3.556 4.863 -2.258) 6.434 5.524 ( -5.021 -2.188 7.795) 9.526 5.773 ( 5.194 2.645 -3.357) 6.726 6.075 ( -1.663 0.045 -7.847) 8.021 6.435 ( -0.495 0.279 -1.363) 1.477 6.728 ( 2.857 -1.443 8.136) 8.743 6.916 ( -3.590 -4.018 -11.444) 12.649 7.313 ( -0.449 3.746 -2.111) 4.323 7.704 ( 5.958 0.846 -2.975) 6.713 7.942 ( -1.312 2.152 6.303) 6.789 8.198 ( 0.755 2.526 7.610) 8.054 8.308 ( 3.342 -2.416 -3.568) 5.453 8.566 ( -2.099 -5.402 -11.020) 12.451 9.214 ( -1.817 3.215 1.614) 4.030 9.278 ( -4.732 -4.479 -7.781) 10.149 9.832 ( 1.162 2.626 7.170) 7.724 10.202 ( 1.804 1.586 8.957) 9.273 11.512 ( -2.154 2.478 1.678) 3.687 11.950 ( 1.247 1.617 -0.089) 2.044 12.845 ( -2.637 -10.206 -4.108) 11.314 13.638 ( 1.750 4.522 2.209) 5.328 13.826 ( 3.095 0.266 -1.665) 3.524 14.089 ( -2.150 -1.742 0.601) 2.832 16.475 ( -0.158 -8.691 -5.882) 10.495 16.983 ( 1.968 -6.350 -10.346) 12.298 17.826 ( -5.254 8.552 18.229) 20.809 18.123 ( 4.492 16.515 7.824) 18.819 19.846 ( -3.202 -9.539 -9.788) 14.038 22.534 ( 2.138 -1.617 0.209) 2.689 ======================= Grid point 142 (53/336) ======================= q-point: (-0.45 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.248 7.516 -16.531) 18.161 2.385 ( -17.149 8.076 0.406) 18.960 2.433 ( -9.277 5.300 12.322) 16.308 3.301 ( -10.786 3.495 -4.712) 12.278 4.134 ( -0.594 -3.795 -2.622) 4.651 4.648 ( 6.252 -5.515 -8.525) 11.924 4.762 ( 7.095 -4.387 -0.459) 8.354 5.379 ( -0.496 10.228 0.364) 10.246 5.495 ( -5.344 -5.260 1.184) 7.591 5.829 ( 5.289 -0.388 -1.942) 5.648 6.040 ( 3.078 -0.102 -6.177) 6.902 6.443 ( -0.696 -5.629 -0.270) 5.678 6.767 ( -1.729 -0.490 -8.449) 8.638 6.910 ( 3.209 -3.949 5.264) 7.322 7.271 ( 0.151 2.797 -1.967) 3.423 7.761 ( 5.243 2.487 -3.313) 6.682 7.914 ( -4.839 0.408 6.065) 7.770 8.175 ( -0.238 6.577 1.402) 6.729 8.416 ( 5.170 -3.565 1.313) 6.416 8.520 ( -2.884 -5.938 -8.772) 10.978 9.031 ( -7.336 2.288 -10.295) 12.847 9.346 ( 2.489 -4.127 3.818) 6.149 9.865 ( 1.160 3.049 6.548) 7.316 10.239 ( -0.745 2.635 7.006) 7.523 11.453 ( -2.294 2.707 0.161) 3.552 11.878 ( -4.660 4.824 -2.428) 7.134 12.899 ( -0.715 -10.643 -1.950) 10.844 13.662 ( 3.314 2.830 3.115) 5.357 13.881 ( 3.947 -0.362 -0.438) 3.987 14.084 ( -1.176 -2.014 0.629) 2.415 16.474 ( -4.057 -5.500 -4.535) 8.202 17.038 ( 3.847 -7.377 -9.490) 12.620 17.702 ( -12.999 7.259 14.738) 20.949 18.033 ( 4.603 23.054 2.400) 23.631 19.926 ( 3.205 -15.262 -4.612) 16.263 22.582 ( 0.775 -1.566 2.156) 2.775 ======================= Grid point 143 (54/336) ======================= q-point: (-0.36 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.740 12.069 -11.036) 17.027 1.893 ( -23.057 15.884 -7.268) 28.926 2.378 ( -10.190 -4.136 16.000) 19.415 2.967 ( -17.726 16.475 -0.570) 24.207 4.148 ( 1.202 -4.507 -6.974) 8.390 4.760 ( 4.952 -7.235 -7.557) 11.575 4.936 ( 8.532 -6.826 -1.566) 11.038 5.293 ( 2.026 13.298 3.317) 13.855 5.491 ( -0.383 -5.903 -3.124) 6.689 5.941 ( 6.458 -3.429 1.237) 7.415 6.102 ( 6.255 -2.741 -1.971) 7.108 6.510 ( -1.299 -11.422 -2.352) 11.734 6.692 ( 1.250 -0.357 -9.212) 9.304 7.060 ( 3.967 -3.862 8.660) 10.279 7.228 ( 0.501 3.902 -3.465) 5.242 7.762 ( 0.041 4.024 -2.483) 4.729 7.880 ( -3.734 -2.509 5.276) 6.934 8.099 ( 0.239 9.033 -2.026) 9.261 8.462 ( -3.973 -6.517 -6.901) 10.290 8.544 ( 3.927 -3.577 0.604) 5.346 8.851 ( -5.285 3.440 -6.671) 9.180 9.435 ( 0.457 -3.376 4.384) 5.552 9.897 ( 2.693 3.266 3.969) 5.803 10.217 ( -2.621 3.503 4.499) 6.276 11.405 ( -0.963 2.013 0.727) 2.346 11.713 ( -7.744 4.006 -3.157) 9.273 12.988 ( 1.558 -8.566 -1.308) 8.805 13.716 ( 2.810 1.528 3.794) 4.962 13.937 ( 2.810 0.475 0.131) 2.853 14.097 ( 0.383 -1.775 0.020) 1.816 16.415 ( -4.713 -3.459 -3.221) 6.675 17.094 ( 0.230 -5.498 -6.984) 8.891 17.488 ( -9.293 8.798 3.962) 13.397 17.896 ( 1.179 19.518 3.586) 19.880 20.140 ( 6.219 -15.821 -0.820) 17.019 22.609 ( -1.134 -1.211 3.081) 3.499 ======================= Grid point 144 (55/336) ======================= q-point: (-0.27 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -6.188 16.203 -1.478) 17.408 1.320 ( -23.105 17.273 -2.044) 28.920 2.353 ( -12.852 -8.641 13.472) 20.527 2.430 ( -23.591 28.385 5.116) 37.261 4.183 ( 3.185 -4.087 -5.654) 7.669 4.836 ( 1.900 -6.137 -4.632) 7.920 5.133 ( 9.001 -5.574 -5.026) 11.720 5.236 ( 3.781 8.961 1.781) 9.887 5.551 ( 4.678 -3.500 -4.762) 7.537 6.054 ( -1.675 -6.768 3.805) 7.943 6.295 ( 13.314 -4.733 1.059) 14.170 6.517 ( -3.262 -5.723 -6.403) 9.186 6.784 ( 8.011 -7.876 -1.293) 11.308 7.091 ( -4.288 1.416 -4.220) 6.181 7.267 ( 6.582 -0.583 4.035) 7.742 7.691 ( -4.380 1.044 2.480) 5.140 7.891 ( -1.086 -1.152 2.307) 2.798 8.014 ( 2.758 7.876 -3.847) 9.189 8.407 ( -5.072 -5.607 -5.528) 9.366 8.627 ( 0.875 -1.393 2.968) 3.393 8.716 ( -2.461 3.513 -4.553) 6.256 9.466 ( -2.927 -1.629 4.875) 5.915 9.943 ( 4.595 2.782 1.177) 5.499 10.152 ( -3.400 3.779 1.882) 5.420 11.391 ( 0.229 2.467 1.740) 3.028 11.548 ( -7.147 0.423 -2.049) 7.447 13.087 ( 3.595 -5.703 -2.086) 7.057 13.748 ( -1.015 0.250 3.491) 3.644 13.964 ( 2.893 3.212 0.514) 4.353 14.128 ( 1.549 -1.737 -0.948) 2.513 16.368 ( -2.579 -3.125 -1.943) 4.493 17.020 ( -6.816 2.676 -2.026) 7.598 17.341 ( -0.607 5.241 -6.795) 8.602 17.755 ( 0.115 16.108 2.118) 16.247 20.385 ( 4.819 -15.824 2.016) 16.664 22.606 ( -2.648 -0.855 3.009) 4.098 ======================= Grid point 145 (56/336) ======================= q-point: (-0.18 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -4.559 23.006 -1.042) 23.477 0.992 ( -7.799 15.082 29.087) 33.680 1.768 ( -23.452 38.705 10.439) 46.444 2.264 ( -22.079 -13.167 9.915) 27.553 4.265 ( 4.630 -4.000 -0.189) 6.121 4.903 ( 2.355 -4.712 -0.110) 5.269 5.120 ( 2.560 10.156 -7.243) 12.734 5.393 ( 9.388 -9.685 -4.213) 14.131 5.632 ( 5.868 -1.385 -4.755) 7.678 6.070 ( -7.289 -8.668 2.984) 11.712 6.462 ( 1.063 -2.331 -5.725) 6.272 6.568 ( 6.435 -2.149 2.945) 7.396 6.972 ( -1.854 -4.575 -4.906) 6.960 7.004 ( 8.490 -3.687 -0.391) 9.264 7.368 ( 1.746 -0.390 0.369) 1.826 7.663 ( -1.058 0.691 3.842) 4.044 7.899 ( -4.259 -6.573 5.835) 9.767 8.019 ( 7.324 3.328 -3.786) 8.891 8.348 ( -1.504 -0.687 -2.996) 3.422 8.563 ( -5.946 4.651 5.135) 9.130 8.727 ( 3.355 -2.759 -1.116) 4.485 9.449 ( -3.045 0.226 5.365) 6.173 9.987 ( 2.065 2.655 0.640) 3.424 10.071 ( -2.127 2.578 -2.225) 4.015 11.350 ( -1.062 4.689 -0.781) 4.870 11.490 ( -1.964 -2.150 2.066) 3.570 13.185 ( 5.875 -3.064 -3.147) 7.335 13.718 ( -4.723 -0.639 2.229) 5.262 13.979 ( 2.887 4.827 0.050) 5.624 14.161 ( 1.246 -1.885 -0.923) 2.441 16.378 ( 0.845 -3.725 -0.450) 3.846 16.877 ( -3.482 5.943 -1.141) 6.982 17.226 ( 1.193 8.588 -10.840) 13.881 17.621 ( 3.322 18.010 -4.762) 18.923 20.591 ( -3.293 -19.045 4.888) 19.936 22.579 ( -3.278 -0.578 1.974) 3.870 ======================= Grid point 146 (57/336) ======================= q-point: (-0.09 0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 23.264 21.024 18.438) 36.376 1.003 ( -1.277 22.926 28.031) 36.235 1.199 ( -9.826 28.214 31.675) 43.542 1.993 ( -23.577 -3.434 6.855) 24.793 4.399 ( 3.876 -6.030 4.826) 8.641 4.913 ( -1.960 8.361 -12.641) 15.282 5.058 ( 3.753 -0.853 3.238) 5.029 5.572 ( 4.318 -8.818 -4.210) 10.683 5.702 ( 4.833 -0.277 -3.186) 5.796 6.040 ( -7.218 -9.634 -0.507) 12.049 6.461 ( -3.469 1.137 -5.318) 6.450 6.551 ( -0.493 1.789 -0.367) 1.891 7.041 ( 5.081 -4.247 -1.314) 6.751 7.184 ( 5.219 -5.052 4.064) 8.323 7.355 ( -2.045 -1.695 -2.540) 3.675 7.614 ( -3.694 4.368 1.325) 5.872 7.785 ( -14.537 0.215 -0.065) 14.539 8.262 ( 12.787 -5.045 2.924) 14.054 8.347 ( 2.438 2.323 -2.330) 4.095 8.543 ( -0.790 -13.434 8.396) 15.861 8.838 ( 6.547 -1.540 5.090) 8.435 9.451 ( -0.124 0.735 6.373) 6.417 9.917 ( -6.099 1.995 -3.268) 7.201 10.037 ( 1.165 2.233 -4.034) 4.755 11.312 ( 2.119 4.262 0.434) 4.779 11.459 ( -1.099 6.640 -2.689) 7.247 13.297 ( 4.571 -4.526 -4.952) 8.118 13.661 ( -3.541 -0.716 1.678) 3.983 13.944 ( -1.247 3.273 -1.250) 3.719 14.209 ( 0.680 -3.932 3.669) 5.421 16.451 ( 1.858 -4.451 1.276) 4.989 16.728 ( -5.776 9.569 -5.234) 12.342 17.230 ( 15.556 7.092 -3.620) 17.475 17.472 ( 18.658 27.409 -16.544) 37.055 20.632 ( -20.353 -19.705 9.062) 29.743 22.542 ( -2.291 -0.224 0.450) 2.345 ======================= Grid point 149 (58/336) ======================= q-point: ( 0.18 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 6.072 0.000 -14.684) 15.890 2.080 ( 22.222 0.000 12.099) 25.302 2.160 ( 3.425 0.000 23.721) 23.967 3.344 ( 17.154 0.000 9.472) 19.596 4.385 ( 1.463 0.000 -8.751) 8.872 4.643 ( -20.557 -0.000 0.137) 20.557 4.910 ( 1.517 0.000 -5.842) 6.036 5.425 ( -2.865 -0.000 14.244) 14.529 5.694 ( -8.608 -0.000 -0.294) 8.613 5.928 ( -0.101 -0.000 7.065) 7.066 5.998 ( 3.922 0.000 -10.126) 10.859 6.720 ( -9.356 -0.000 -4.299) 10.296 6.744 ( -2.026 -0.000 -3.512) 4.055 6.964 ( -4.689 -0.000 -5.539) 7.257 7.508 ( 9.267 0.000 -7.461) 11.898 7.594 ( -4.590 -0.000 8.308) 9.491 7.646 ( 6.289 0.000 12.252) 13.772 8.171 ( -4.430 -0.000 6.446) 7.821 8.358 ( 3.713 0.000 -14.087) 14.568 8.727 ( -7.206 -0.000 -13.346) 15.167 9.141 ( -2.641 -0.000 7.477) 7.930 9.580 ( -1.488 -0.000 3.528) 3.829 9.803 ( 0.430 0.000 -5.997) 6.012 9.940 ( 6.826 0.000 11.430) 13.313 11.550 ( 12.419 0.000 0.795) 12.444 11.568 ( -0.359 -0.000 6.705) 6.714 12.850 ( -4.468 -0.000 -7.122) 8.408 13.725 ( 0.785 0.000 1.220) 1.450 13.872 ( -0.451 -0.000 -5.358) 5.377 14.190 ( -5.362 -0.000 1.724) 5.632 16.227 ( 2.540 0.000 -7.279) 7.710 16.943 ( 0.398 0.000 -9.617) 9.625 17.605 ( 23.476 0.000 8.627) 25.011 18.084 ( -8.063 -0.000 20.335) 21.875 20.247 ( -9.560 -0.000 -11.621) 15.048 22.464 ( 1.362 0.000 -4.184) 4.400 ======================= Grid point 150 (59/336) ======================= q-point: ( 0.27 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 2.517 2.741 -14.734) 15.196 2.352 ( 2.516 -0.787 19.504) 19.681 2.485 ( 17.305 -2.472 9.101) 19.708 3.527 ( 1.286 -0.479 1.024) 1.712 4.307 ( -14.635 1.213 2.667) 14.926 4.413 ( 0.701 -3.269 -7.291) 8.021 4.819 ( -2.665 2.293 -12.682) 13.160 5.508 ( -4.887 1.746 8.633) 10.073 5.564 ( -2.695 -2.779 7.086) 8.075 5.910 ( 1.894 7.648 -0.847) 7.924 6.054 ( 0.693 -5.579 -1.304) 5.771 6.526 ( -8.271 0.991 -5.055) 9.744 6.690 ( -0.309 1.186 -3.397) 3.611 6.915 ( -0.121 -2.635 -7.751) 8.188 7.511 ( -2.231 6.695 1.095) 7.141 7.610 ( 4.891 -2.584 -4.244) 6.972 7.837 ( 2.949 -2.714 15.648) 16.153 8.156 ( -1.113 0.570 5.829) 5.961 8.331 ( 2.857 0.563 -11.418) 11.783 8.570 ( -2.979 -1.555 -12.506) 12.950 9.144 ( -1.652 -1.307 4.978) 5.406 9.488 ( -7.428 1.277 -6.824) 10.167 9.823 ( 4.109 1.291 1.042) 4.431 10.106 ( 3.898 -0.226 12.926) 13.502 11.576 ( -1.048 2.027 5.283) 5.754 11.789 ( 12.219 -3.101 2.391) 12.831 12.740 ( -5.737 -3.244 -7.168) 9.737 13.732 ( 0.137 2.144 1.661) 2.715 13.840 ( 1.082 0.963 -4.364) 4.598 14.110 ( -4.898 -0.290 0.134) 4.908 16.261 ( 4.154 -4.155 -6.874) 9.043 16.903 ( 0.810 -2.045 -10.169) 10.404 17.985 ( 10.119 9.092 14.237) 19.691 18.107 ( 3.653 -3.581 17.884) 18.602 19.966 ( -14.655 0.005 -13.872) 20.179 22.474 ( 2.438 -0.441 -3.080) 3.953 ======================= Grid point 151 (60/336) ======================= q-point: ( 0.36 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 2.332 4.278 -14.423) 15.224 2.459 ( -3.228 0.264 15.199) 15.540 2.747 ( 8.515 2.983 4.740) 10.192 3.440 ( -9.137 -1.041 -4.878) 10.409 4.118 ( -9.609 -1.727 3.528) 10.380 4.476 ( 4.810 -4.925 -4.858) 8.426 4.686 ( -0.074 1.764 -13.720) 13.833 5.383 ( -10.708 -5.603 0.350) 12.090 5.651 ( 1.269 5.293 11.663) 12.870 5.870 ( 4.058 6.966 -3.681) 8.862 6.048 ( -3.362 -1.956 -3.586) 5.290 6.421 ( -3.466 -2.066 -2.443) 4.717 6.697 ( 1.684 -3.025 0.798) 3.553 6.878 ( 0.908 0.774 -10.350) 10.419 7.413 ( -2.592 6.471 1.719) 7.179 7.687 ( 4.424 -2.951 -3.899) 6.594 7.934 ( -2.613 -1.361 8.790) 9.271 8.221 ( 3.443 -0.185 9.677) 10.273 8.306 ( 2.532 0.935 -7.914) 8.361 8.500 ( 0.250 -1.263 -9.884) 9.968 9.178 ( 0.068 -3.647 -0.639) 3.703 9.284 ( -8.306 1.987 -7.271) 11.216 9.883 ( 3.393 2.480 3.463) 5.446 10.220 ( 0.872 0.346 11.987) 12.024 11.554 ( -2.579 1.708 2.625) 4.057 11.986 ( 8.961 2.316 0.811) 9.291 12.651 ( -6.531 -9.164 -6.174) 12.835 13.716 ( 0.005 3.286 2.315) 4.019 13.844 ( 3.386 1.202 -2.644) 4.461 14.055 ( -2.854 -1.546 0.190) 3.252 16.336 ( 3.589 -5.590 -5.964) 8.927 16.886 ( 1.444 -3.784 -10.118) 10.898 17.953 ( -11.456 4.794 21.434) 24.772 18.410 ( 19.088 12.680 8.032) 24.282 19.673 ( -13.560 -8.117 -12.830) 20.356 22.510 ( 2.611 -0.916 -0.850) 2.894 ======================= Grid point 152 (61/336) ======================= q-point: (-0.55 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 3.133 6.465 -14.987) 16.620 2.417 ( -11.100 2.234 12.016) 16.510 2.690 ( -6.806 14.356 -0.934) 15.915 3.297 ( -6.601 -3.307 -3.719) 8.267 4.066 ( -2.776 -3.699 0.709) 4.679 4.556 ( 4.427 -3.977 -9.104) 10.877 4.671 ( 4.801 -4.972 -6.246) 9.316 5.297 ( -8.605 -9.040 0.321) 12.485 5.634 ( -0.682 10.173 8.299) 13.146 5.860 ( 4.435 5.311 -4.111) 8.048 6.014 ( 0.702 -3.792 -5.239) 6.505 6.374 ( -3.061 -1.607 -2.150) 4.071 6.789 ( -0.193 -4.586 -5.738) 7.348 6.821 ( 3.434 1.371 1.288) 3.916 7.339 ( -1.005 4.394 0.131) 4.509 7.759 ( 2.960 -3.209 -1.511) 4.620 7.911 ( -4.647 0.819 3.705) 6.000 8.292 ( 2.310 3.095 -1.201) 4.044 8.358 ( 4.129 -2.307 5.837) 7.512 8.453 ( -0.364 0.224 -8.509) 8.519 9.038 ( -8.476 -1.479 -12.615) 15.270 9.285 ( 2.623 -2.205 4.553) 5.698 9.927 ( 2.671 3.289 4.074) 5.878 10.271 ( -1.749 0.789 9.116) 9.316 11.497 ( -3.259 1.660 0.167) 3.661 11.995 ( -0.785 7.942 -3.596) 8.753 12.668 ( -1.050 -13.390 -2.704) 13.701 13.711 ( 0.568 2.128 3.169) 3.859 13.892 ( 5.034 1.040 -1.054) 5.247 14.047 ( -0.753 -1.678 0.927) 2.060 16.384 ( 0.620 -3.750 -4.755) 6.087 16.907 ( 2.832 -6.177 -9.270) 11.494 17.823 ( -13.446 5.392 17.614) 22.806 18.468 ( 5.634 22.961 1.046) 23.665 19.622 ( -0.165 -17.186 -5.355) 18.002 22.556 ( 1.490 -1.123 1.319) 2.285 ======================= Grid point 153 (62/336) ======================= q-point: (-0.45 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 3.149 11.612 -14.186) 18.601 2.150 ( -20.897 9.752 -1.585) 23.115 2.422 ( -9.665 10.246 9.556) 17.020 3.180 ( -7.468 5.889 -0.263) 9.514 4.076 ( 0.592 -3.464 -3.614) 5.041 4.620 ( 4.754 -6.862 -9.853) 12.914 4.796 ( 5.042 -8.302 -3.105) 10.197 5.292 ( -4.693 -11.909 1.511) 12.889 5.562 ( 0.262 13.410 6.276) 14.808 5.897 ( 6.092 -0.734 -2.511) 6.630 6.070 ( 5.582 -3.048 -5.077) 8.139 6.348 ( -1.143 -4.190 -2.198) 4.868 6.710 ( -0.420 2.169 -8.807) 9.080 6.961 ( 2.044 -6.458 8.763) 11.076 7.292 ( -0.092 3.022 -2.060) 3.658 7.799 ( -8.155 -4.265 6.302) 11.154 7.849 ( 4.907 3.882 -6.184) 8.797 8.281 ( 2.534 8.417 -1.305) 8.887 8.354 ( -5.052 -3.728 -7.026) 9.422 8.486 ( 3.794 -2.594 3.149) 5.571 8.877 ( -5.401 -0.641 -7.036) 8.893 9.372 ( 1.197 -3.128 4.364) 5.501 9.962 ( 3.094 3.523 3.180) 5.666 10.262 ( -3.497 1.359 5.531) 6.683 11.434 ( -2.674 0.758 -0.230) 2.789 11.821 ( -6.742 7.528 -5.271) 11.398 12.801 ( 3.869 -10.794 -1.125) 11.522 13.727 ( -0.438 -0.148 3.708) 3.737 13.963 ( 5.377 1.358 -0.075) 5.546 14.068 ( 1.146 -0.724 1.063) 1.723 16.371 ( -1.628 -1.199 -3.365) 3.926 16.967 ( 2.177 -7.409 -7.456) 10.735 17.642 ( -11.292 7.325 9.808) 16.655 18.264 ( -3.784 19.151 -0.515) 19.528 19.847 ( 8.605 -15.278 -0.548) 17.544 22.588 ( -0.417 -0.989 2.537) 2.755 ======================= Grid point 154 (63/336) ======================= q-point: (-0.36 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 3.594 18.023 -9.379) 20.633 1.654 ( -20.209 17.198 -1.530) 26.580 2.280 ( -11.739 1.974 13.998) 18.375 2.906 ( -12.432 20.447 2.931) 24.109 4.112 ( 3.002 -3.469 -3.907) 6.025 4.703 ( 2.707 -7.693 -5.776) 9.994 4.950 ( 6.267 -11.184 -5.022) 13.769 5.378 ( -1.286 -13.403 1.602) 13.560 5.471 ( 0.662 13.330 2.040) 13.502 5.991 ( 2.835 -1.241 -0.584) 3.149 6.209 ( 11.725 -5.128 -3.499) 13.267 6.391 ( 1.635 -5.633 -3.491) 6.825 6.675 ( 1.470 -3.206 -3.131) 4.716 7.059 ( -3.203 -4.765 2.915) 6.439 7.268 ( 1.465 0.849 0.651) 1.814 7.702 ( -7.033 0.083 3.959) 8.071 7.892 ( 5.247 1.199 -5.473) 7.677 8.166 ( -2.827 7.038 -4.338) 8.737 8.323 ( -0.144 -2.653 -3.454) 4.358 8.579 ( 2.256 -2.713 3.593) 5.036 8.767 ( -5.201 1.128 -3.096) 6.157 9.425 ( -1.583 -2.565 5.229) 6.035 10.002 ( 4.140 3.256 1.370) 5.442 10.205 ( -4.403 1.929 1.993) 5.203 11.407 ( -1.297 -1.069 1.754) 2.430 11.617 ( -5.966 6.702 -4.053) 9.845 12.960 ( 6.134 -7.311 -1.653) 9.686 13.728 ( -3.741 -1.897 3.480) 5.450 14.031 ( 4.830 2.179 0.359) 5.311 14.104 ( 2.278 0.246 0.066) 2.292 16.335 ( -1.188 -0.293 -1.579) 1.997 16.993 ( -2.066 -4.609 -4.850) 7.003 17.475 ( -3.942 8.147 1.626) 9.196 18.033 ( -5.646 13.426 1.416) 14.634 20.118 ( 8.031 -12.681 -0.048) 15.010 22.591 ( -2.101 -0.730 2.616) 3.434 ======================= Grid point 155 (64/336) ======================= q-point: (-0.27 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -2.940 20.919 0.083) 21.125 1.338 ( 0.988 21.269 13.408) 25.162 2.140 ( -15.453 -0.361 11.752) 19.418 2.461 ( -13.609 33.015 6.034) 36.216 4.192 ( 4.329 -3.756 -0.351) 5.742 4.793 ( 2.828 -6.770 0.146) 7.338 5.137 ( 6.735 -12.264 -7.652) 15.948 5.355 ( 0.015 10.270 -4.020) 11.029 5.498 ( -0.436 -13.052 0.142) 13.060 5.993 ( -1.659 0.550 -0.118) 1.752 6.426 ( 2.171 -1.581 -4.117) 4.915 6.469 ( 12.105 -7.806 -2.070) 14.551 6.782 ( 1.692 -11.130 0.185) 11.259 6.993 ( -3.896 -1.518 -3.985) 5.776 7.325 ( -0.682 -2.768 6.345) 6.956 7.656 ( -1.539 -0.783 3.447) 3.855 7.890 ( 0.609 3.633 -5.211) 6.381 8.077 ( 1.155 2.428 -1.917) 3.302 8.335 ( 2.604 -0.446 -3.980) 4.777 8.625 ( -8.010 1.965 3.130) 8.822 8.675 ( 2.921 -2.263 1.484) 3.981 9.441 ( -2.348 -1.086 6.112) 6.636 10.044 ( 3.333 3.088 0.771) 4.608 10.112 ( -4.430 1.931 -2.382) 5.387 11.435 ( 0.166 -2.450 4.931) 5.509 11.474 ( -1.328 6.982 -1.684) 7.304 13.107 ( 6.649 -4.802 -3.100) 8.768 13.684 ( -6.311 -2.484 2.850) 7.357 14.072 ( 2.981 3.702 0.199) 4.757 14.128 ( 1.152 -0.650 -1.957) 2.362 16.333 ( 0.852 -0.862 0.633) 1.367 16.939 ( -3.143 0.480 -3.059) 4.412 17.382 ( 2.126 8.781 -2.493) 9.372 17.869 ( -1.942 9.411 1.008) 9.662 20.310 ( 1.113 -11.910 -1.077) 12.010 22.569 ( -2.812 -0.503 1.727) 3.338 ======================= Grid point 156 (65/336) ======================= q-point: (-0.18 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 15.795 19.270 17.079) 30.208 1.313 ( 4.134 19.111 26.425) 32.873 1.876 ( -12.699 21.368 5.015) 25.357 2.046 ( -7.368 21.231 10.468) 24.792 4.310 ( 3.998 -4.204 4.108) 7.108 4.925 ( 4.182 -4.740 4.477) 7.746 5.137 ( -1.655 6.983 -12.019) 13.999 5.366 ( 3.234 -11.559 -5.127) 13.052 5.600 ( -0.875 -11.786 -1.417) 11.903 5.950 ( -1.927 0.920 -0.959) 2.341 6.462 ( 2.518 -0.761 -2.520) 3.643 6.572 ( -3.562 -0.384 -3.407) 4.944 6.887 ( 4.206 -10.993 -4.635) 12.650 7.042 ( 0.441 -10.252 2.526) 10.568 7.338 ( -2.841 0.364 5.331) 6.052 7.661 ( -3.455 -1.786 -0.769) 3.965 7.808 ( -1.465 5.614 -2.071) 6.161 8.178 ( 11.725 -3.038 3.735) 12.675 8.354 ( 2.062 -1.832 -7.362) 7.862 8.469 ( -8.959 2.236 4.221) 10.153 8.807 ( 5.972 -1.910 7.522) 9.792 9.460 ( -0.358 0.027 6.899) 6.909 9.965 ( -6.721 2.775 -3.812) 8.210 10.079 ( 2.431 2.378 -2.948) 4.501 11.418 ( 2.191 6.773 0.535) 7.139 11.505 ( 1.900 -0.241 5.743) 6.054 13.209 ( 2.908 -4.626 -4.988) 7.398 13.630 ( -4.150 -2.319 2.268) 5.268 14.031 ( -1.907 5.323 -2.371) 6.131 14.147 ( 0.353 -2.963 -0.355) 3.005 16.385 ( 2.127 -2.141 2.904) 4.188 16.853 ( -2.237 4.406 -4.056) 6.393 17.372 ( 8.137 8.793 -0.116) 11.981 17.804 ( 6.280 9.306 -4.944) 12.267 20.346 ( -9.273 -11.649 -0.716) 14.906 22.537 ( -2.187 -0.306 0.367) 2.239 ======================= Grid point 157 (66/336) ======================= q-point: (-0.09 0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 3.188 23.599 21.224) 31.899 1.438 ( 7.573 16.660 28.758) 34.087 1.724 ( 22.755 14.288 4.714) 27.279 1.942 ( 6.657 12.435 11.686) 18.317 4.438 ( 2.432 -4.647 5.965) 7.943 4.878 ( -2.450 9.457 -11.745) 15.276 5.129 ( 3.317 -3.142 6.286) 7.771 5.456 ( -3.989 -12.148 -1.083) 12.832 5.680 ( -0.093 -9.824 -2.876) 10.237 5.921 ( 0.968 -0.541 -4.508) 4.643 6.326 ( -10.003 5.021 -4.863) 12.203 6.608 ( 4.966 -3.280 2.234) 6.357 7.012 ( 1.480 -7.948 -5.163) 9.593 7.128 ( -5.082 -12.013 3.183) 13.427 7.320 ( -0.589 2.567 3.494) 4.375 7.573 ( -5.025 0.633 -0.844) 5.134 7.717 ( -0.516 8.876 -1.970) 9.107 8.294 ( -6.207 -2.165 1.577) 6.760 8.376 ( 3.662 -1.640 -8.140) 9.075 8.576 ( 13.447 -10.215 12.495) 21.007 8.947 ( 3.177 0.150 8.479) 9.056 9.513 ( 1.425 0.438 7.344) 7.494 9.786 ( -7.700 2.122 -8.192) 11.441 10.053 ( 0.201 3.639 -3.541) 5.082 11.394 ( 0.794 6.601 1.601) 6.839 11.532 ( 2.484 6.214 1.017) 6.769 13.206 ( -4.099 -4.387 -6.490) 8.841 13.634 ( 0.276 -1.641 0.969) 1.926 13.938 ( -1.703 2.452 -1.215) 3.224 14.189 ( -0.551 -4.365 3.031) 5.343 16.441 ( -0.888 -0.892 2.372) 2.685 16.777 ( 5.012 6.589 -3.403) 8.951 17.355 ( -0.754 11.595 -2.621) 11.911 17.877 ( 14.789 5.330 -5.745) 16.737 20.302 ( -7.754 -12.839 1.855) 15.113 22.514 ( -0.901 -0.305 -0.901) 1.310 ======================= Grid point 161 (67/336) ======================= q-point: ( 0.27 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 1.557 0.000 -12.871) 12.965 2.464 ( -1.182 -0.000 14.094) 14.143 2.771 ( 13.039 0.000 5.890) 14.307 3.434 ( -10.420 -0.000 -4.710) 11.435 4.098 ( -11.423 -0.000 3.605) 11.978 4.424 ( 5.069 0.000 -5.127) 7.210 4.707 ( -1.103 -0.000 -16.135) 16.172 5.326 ( -12.240 -0.000 0.855) 12.270 5.704 ( 3.745 0.000 11.683) 12.269 5.927 ( -4.514 -0.000 1.631) 4.799 6.059 ( 5.053 0.000 -5.452) 7.434 6.379 ( -6.851 -0.000 0.205) 6.854 6.660 ( 0.839 0.000 -6.321) 6.376 6.897 ( 3.522 0.000 -8.804) 9.482 7.506 ( -6.817 -0.000 8.402) 10.819 7.627 ( 5.237 0.000 -7.752) 9.355 7.921 ( -0.433 -0.000 8.095) 8.106 8.218 ( 2.620 0.000 9.465) 9.821 8.309 ( 1.881 0.000 -9.426) 9.612 8.499 ( 2.465 0.000 -7.983) 8.355 9.141 ( -0.594 -0.000 -2.605) 2.672 9.304 ( -8.591 -0.000 -6.012) 10.485 9.910 ( 4.524 0.000 1.208) 4.682 10.221 ( 0.114 0.000 13.798) 13.798 11.570 ( -3.344 -0.000 2.921) 4.440 12.016 ( 14.433 0.000 2.178) 14.597 12.554 ( -9.686 -0.000 -7.727) 12.390 13.749 ( -0.738 -0.000 2.267) 2.385 13.857 ( 3.150 0.000 -2.977) 4.334 14.040 ( -2.921 -0.000 -0.040) 2.921 16.281 ( 5.175 0.000 -5.689) 7.691 16.849 ( 1.190 0.000 -10.092) 10.162 17.999 ( -13.477 -0.000 22.608) 26.320 18.540 ( 27.025 0.000 8.553) 28.346 19.587 ( -20.282 -0.000 -14.603) 24.992 22.501 ( 2.781 0.000 -1.245) 3.047 ======================= Grid point 162 (68/336) ======================= q-point: (-0.64 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 2.254 2.222 -11.132) 11.573 2.465 ( -6.956 1.953 8.944) 11.498 2.919 ( 3.446 8.857 1.159) 9.574 3.206 ( -11.554 -5.125 -5.076) 13.621 4.008 ( -3.774 -1.911 3.106) 5.248 4.494 ( 5.039 -2.327 -4.547) 7.175 4.610 ( 1.516 -1.271 -16.022) 16.144 5.164 ( -11.149 -4.174 2.057) 12.081 5.768 ( 0.578 5.140 5.678) 7.681 5.898 ( -0.157 -5.339 -2.050) 5.722 6.045 ( 2.335 9.091 -4.350) 10.345 6.337 ( -3.192 -3.368 3.380) 5.741 6.675 ( 2.356 -3.985 -2.098) 5.083 6.882 ( 2.293 2.184 -9.046) 9.584 7.423 ( -5.105 3.691 4.438) 7.706 7.677 ( 1.206 -3.927 -0.934) 4.213 7.934 ( -0.181 0.916 0.750) 1.198 8.285 ( 0.645 -1.202 -6.976) 7.108 8.333 ( 3.496 -0.685 9.569) 10.211 8.510 ( 3.547 3.007 -3.922) 6.083 8.997 ( -8.502 -1.854 -14.592) 16.990 9.262 ( 1.096 -0.482 4.641) 4.793 9.976 ( 3.869 1.610 1.104) 4.334 10.275 ( -3.032 -0.135 11.606) 11.996 11.514 ( -4.343 0.332 0.171) 4.359 12.175 ( 4.163 10.923 -2.659) 11.988 12.417 ( -2.694 -12.856 -4.165) 13.780 13.740 ( -1.580 0.895 2.922) 3.440 13.902 ( 4.144 0.047 -1.593) 4.440 14.029 ( 0.935 -0.276 1.206) 1.551 16.338 ( 4.192 -1.220 -4.265) 6.103 16.823 ( 1.615 -2.464 -9.298) 9.753 17.894 ( -13.970 2.012 19.147) 23.787 18.878 ( 10.666 20.165 1.109) 22.839 19.287 ( -6.425 -18.092 -6.930) 20.412 22.542 ( 1.906 -0.406 0.843) 2.123 ======================= Grid point 163 (69/336) ======================= q-point: (-0.55 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 3.138 4.597 -9.741) 11.219 2.294 ( -14.126 6.608 2.516) 15.797 2.691 ( -10.123 15.508 0.231) 18.521 3.190 ( -0.274 -4.314 -0.245) 4.330 4.018 ( 0.117 -2.458 0.372) 2.489 4.527 ( 3.738 -2.691 -12.043) 12.894 4.637 ( 3.331 -7.885 -5.889) 10.390 5.082 ( -8.526 -9.103 3.489) 12.951 5.761 ( 2.255 6.252 4.249) 7.888 5.944 ( 0.916 -0.377 -5.142) 5.237 5.989 ( 5.337 2.663 -2.375) 6.420 6.337 ( -0.087 0.628 1.534) 1.660 6.738 ( 0.371 -1.070 -3.785) 3.951 6.852 ( 0.195 -3.177 0.662) 3.251 7.343 ( -2.840 2.355 -0.305) 3.702 7.710 ( -3.810 -4.426 4.334) 7.273 7.921 ( 3.324 3.155 -5.549) 7.196 8.261 ( -1.596 -3.166 -6.552) 7.450 8.445 ( 1.395 -0.026 10.335) 10.428 8.469 ( 1.630 6.638 -6.219) 9.241 8.834 ( -5.309 -3.571 -8.903) 10.964 9.324 ( 1.136 -1.830 4.547) 5.031 10.021 ( 3.527 2.590 1.089) 4.509 10.271 ( -4.664 -0.165 7.671) 8.980 11.437 ( -4.530 -0.208 -0.880) 4.619 11.976 ( -8.334 8.179 -5.676) 12.984 12.605 ( 9.304 -9.451 -1.168) 13.313 13.722 ( -2.660 -0.202 3.447) 4.359 13.963 ( 3.730 -0.889 -0.934) 3.946 14.079 ( 4.174 1.286 2.198) 4.889 16.368 ( 1.734 0.680 -2.742) 3.315 16.839 ( 1.842 -5.657 -7.456) 9.538 17.752 ( -11.680 4.178 12.677) 17.737 18.589 ( -12.634 14.691 -4.522) 19.897 19.580 ( 15.279 -12.484 0.894) 19.751 22.573 ( 0.119 -0.545 2.193) 2.263 ======================= Grid point 164 (70/336) ======================= q-point: (-0.45 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 1.889 7.442 -8.274) 11.288 1.953 ( -13.681 14.912 0.874) 20.256 2.428 ( -9.316 12.613 7.874) 17.546 3.166 ( -2.533 7.232 0.899) 7.716 4.053 ( 1.891 -2.710 -1.311) 3.555 4.567 ( 3.592 -6.180 -7.690) 10.499 4.740 ( 3.106 -10.600 -5.381) 12.287 5.106 ( -5.294 -13.969 4.253) 15.532 5.723 ( 0.487 12.610 1.996) 12.776 5.971 ( 6.335 -0.989 -3.799) 7.452 6.090 ( 6.428 -5.843 -3.767) 9.468 6.363 ( 4.247 1.466 0.459) 4.516 6.660 ( -3.298 1.248 -5.037) 6.148 6.938 ( -2.180 -7.557 6.185) 10.006 7.286 ( -1.126 0.772 -2.242) 2.625 7.684 ( -6.139 -2.000 5.076) 8.213 7.931 ( 6.714 2.733 -8.612) 11.257 8.194 ( -5.203 -2.658 -6.783) 8.952 8.380 ( 1.464 7.104 -2.168) 7.571 8.538 ( 1.643 -1.593 6.428) 6.823 8.757 ( -4.165 -2.006 -3.898) 6.047 9.377 ( -0.831 -2.351 5.422) 5.968 10.058 ( 3.573 2.615 0.505) 4.456 10.225 ( -5.156 0.277 3.392) 6.178 11.378 ( -3.309 -1.467 1.075) 3.776 11.754 ( -6.211 7.055 -3.455) 10.014 12.829 ( 10.270 -6.331 -2.046) 12.237 13.693 ( -4.872 -1.593 3.476) 6.193 14.021 ( 2.597 -1.661 -0.968) 3.231 14.149 ( 5.025 3.016 1.646) 6.087 16.357 ( 0.519 2.386 -0.851) 2.586 16.881 ( 0.134 -6.648 -4.744) 8.168 17.616 ( -5.165 6.382 5.432) 9.845 18.253 ( -12.707 9.819 -0.086) 16.059 19.911 ( 12.625 -9.239 -1.283) 15.697 22.579 ( -1.640 -0.467 2.385) 2.932 ======================= Grid point 165 (71/336) ======================= q-point: (-0.36 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -4.366 12.245 1.933) 13.143 1.729 ( 3.670 19.236 5.602) 20.368 2.228 ( -9.858 9.986 10.206) 17.351 2.973 ( -5.876 20.806 2.412) 21.754 4.122 ( 3.261 -3.758 0.638) 5.016 4.662 ( 3.888 -6.816 -0.472) 7.861 4.881 ( 4.826 -13.652 -6.723) 15.964 5.203 ( -4.018 -16.788 3.040) 17.528 5.582 ( -1.597 13.080 -4.748) 14.007 6.031 ( 2.469 2.170 -0.717) 3.364 6.283 ( 10.066 -9.818 -2.889) 14.355 6.430 ( 5.714 0.781 -4.571) 7.359 6.608 ( -3.158 -6.633 -0.750) 7.384 6.940 ( -6.703 -3.944 1.303) 7.886 7.290 ( 1.038 -1.094 3.196) 3.534 7.640 ( -3.833 -1.167 3.210) 5.134 7.960 ( 6.037 3.115 -9.447) 11.635 8.102 ( -2.348 0.033 -2.465) 3.404 8.348 ( 1.599 2.112 -4.274) 5.028 8.617 ( -0.887 -1.795 8.724) 8.951 8.672 ( -2.698 1.018 -2.272) 3.671 9.411 ( -1.645 -1.893 6.654) 7.111 10.094 ( 3.365 2.060 -0.195) 3.951 10.141 ( -5.465 1.112 -0.998) 5.665 11.386 ( -0.224 -2.268 5.709) 6.147 11.613 ( -1.630 6.978 -0.833) 7.214 13.019 ( 8.765 -4.387 -3.281) 10.337 13.636 ( -6.717 -2.409 2.985) 7.735 14.063 ( 1.289 -2.114 -1.316) 2.804 14.184 ( 2.453 4.041 -0.677) 4.776 16.348 ( 1.193 2.330 1.696) 3.120 16.901 ( -1.017 -4.095 -2.517) 4.913 17.546 ( 2.504 8.295 1.030) 8.725 18.009 ( -9.192 6.007 3.348) 11.480 20.122 ( 5.141 -8.422 -4.874) 11.005 22.561 ( -2.466 -0.343 1.576) 2.946 ======================= Grid point 166 (72/336) ======================= q-point: (-0.27 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 7.637 13.388 16.785) 22.788 1.698 ( 7.295 19.161 12.096) 23.805 2.040 ( -8.809 10.101 8.287) 15.758 2.662 ( -3.091 30.777 3.993) 31.189 4.229 ( 3.017 -4.643 4.053) 6.862 4.817 ( 5.550 -6.140 6.048) 10.251 5.049 ( 4.598 -13.979 -8.546) 17.017 5.300 ( -5.465 -13.914 -1.573) 15.031 5.394 ( -2.122 7.499 -6.654) 10.247 6.014 ( 0.527 4.514 -0.950) 4.643 6.437 ( 1.886 -2.181 0.514) 2.928 6.511 ( 2.655 -5.836 -7.655) 9.985 6.659 ( 1.017 -12.259 -2.513) 12.555 6.884 ( -4.599 -5.151 2.288) 7.274 7.344 ( 0.922 -0.078 5.088) 5.172 7.613 ( -3.771 -2.589 0.475) 4.599 7.935 ( 3.759 6.334 -8.238) 11.050 8.136 ( 5.821 -1.861 1.717) 6.347 8.321 ( -1.127 -1.119 -5.583) 5.805 8.529 ( -5.706 3.382 1.643) 6.833 8.772 ( 5.960 -1.674 8.894) 10.836 9.450 ( -0.465 -1.134 7.553) 7.651 10.013 ( -6.536 2.263 -4.468) 8.234 10.119 ( 2.464 1.687 -1.955) 3.570 11.483 ( 3.604 -1.476 10.035) 10.764 11.552 ( 1.560 6.922 1.053) 7.173 13.129 ( 2.262 -3.863 -4.637) 6.446 13.582 ( -3.869 -2.664 2.152) 5.168 14.087 ( -0.040 -2.271 -1.179) 2.560 14.134 ( -1.848 4.335 -3.367) 5.792 16.377 ( 2.102 1.254 4.397) 5.033 16.896 ( -0.055 0.145 -2.921) 2.925 17.549 ( 7.134 9.664 1.949) 12.169 17.901 ( -1.744 2.552 3.499) 4.669 20.165 ( -4.372 -8.166 -8.107) 12.310 22.532 ( -2.015 -0.241 0.295) 2.050 ======================= Grid point 167 (73/336) ======================= q-point: (-0.18 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 10.422 9.025 21.860) 25.844 1.735 ( 7.182 18.963 18.709) 27.590 1.874 ( -2.122 10.902 3.009) 11.507 2.446 ( 11.831 31.299 7.371) 34.263 4.345 ( 1.289 -5.505 6.346) 8.499 4.985 ( 2.258 -1.133 3.335) 4.184 5.113 ( 2.124 2.887 -8.592) 9.310 5.216 ( -4.639 -11.936 -3.233) 13.208 5.437 ( -0.562 -13.585 -1.593) 13.689 5.965 ( 0.004 3.781 -3.193) 4.949 6.400 ( -7.333 2.581 -3.001) 8.334 6.520 ( 0.198 -6.614 0.798) 6.665 6.818 ( 3.866 -11.580 -4.386) 12.972 6.921 ( -1.610 -8.750 2.379) 9.210 7.363 ( -0.933 1.595 3.454) 3.918 7.567 ( -3.597 -1.291 -1.583) 4.137 7.875 ( 2.212 7.682 -6.252) 10.149 8.251 ( -4.194 -2.641 -3.446) 6.037 8.298 ( 4.907 -4.762 -2.307) 7.216 8.511 ( 6.277 1.545 8.898) 10.998 8.939 ( 5.278 -1.016 9.796) 11.174 9.511 ( 0.891 -0.757 8.131) 8.215 9.835 ( -7.588 3.085 -8.196) 11.587 10.111 ( 0.851 2.412 -3.327) 4.197 11.525 ( 0.862 6.612 3.581) 7.569 11.612 ( 5.015 3.148 7.584) 9.621 13.109 ( -4.675 -5.337 -5.529) 8.995 13.599 ( 1.258 -2.020 0.525) 2.437 14.010 ( -4.002 4.538 -2.556) 6.568 14.113 ( -0.326 -3.716 -0.398) 3.751 16.431 ( 1.267 0.457 5.483) 5.646 16.874 ( 3.656 3.620 -4.491) 6.829 17.571 ( 2.977 10.675 2.014) 11.264 17.940 ( 5.854 1.823 2.909) 6.786 20.086 ( -7.187 -10.091 -7.739) 14.607 22.509 ( -0.801 -0.199 -0.892) 1.215 ======================= Grid point 168 (74/336) ======================= q-point: (-0.09 0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 4.900 17.836 10.721) 21.379 1.875 ( 9.791 10.625 11.993) 18.778 1.896 ( 5.370 4.773 12.093) 14.066 2.606 ( 27.687 19.649 14.012) 36.729 4.433 ( -1.570 -5.578 4.268) 7.197 4.878 ( -0.172 7.302 -9.527) 12.005 5.103 ( -7.874 -4.545 0.239) 9.095 5.308 ( -0.257 -8.725 7.908) 11.778 5.553 ( 1.645 -12.357 -4.320) 13.193 5.910 ( -0.846 0.911 -5.495) 5.634 6.240 ( -5.167 6.302 1.626) 8.310 6.588 ( -1.723 -9.376 -1.502) 9.651 6.891 ( -3.060 -7.969 -6.220) 10.562 7.025 ( 2.475 -6.470 6.990) 9.841 7.335 ( -2.311 1.198 1.923) 3.237 7.532 ( 1.321 -0.262 -3.683) 3.922 7.768 ( -1.948 8.532 -4.449) 9.818 8.195 ( -3.326 -1.677 0.579) 3.770 8.359 ( 3.094 -3.207 -7.025) 8.319 8.754 ( 7.578 -6.760 10.124) 14.339 9.073 ( 4.845 1.823 10.989) 12.148 9.572 ( -2.483 -0.647 7.093) 7.543 9.634 ( -4.537 2.756 -8.340) 9.886 10.065 ( 0.074 3.535 -4.401) 5.645 11.482 ( -0.363 7.736 3.331) 8.430 11.660 ( 3.656 7.438 3.807) 9.120 13.055 ( -3.406 -4.992 -6.706) 9.027 13.629 ( 0.149 -1.389 -0.034) 1.397 13.917 ( -2.055 1.494 -1.944) 3.199 14.152 ( -0.652 -4.615 2.329) 5.210 16.451 ( 0.096 2.680 1.322) 2.990 16.935 ( 10.372 2.151 -1.605) 10.714 17.428 ( -3.047 15.540 -5.407) 16.733 18.033 ( 1.375 1.082 9.920) 10.073 20.103 ( -0.196 -14.870 -6.257) 16.134 22.496 ( 0.022 -0.002 -2.038) 2.039 ======================= Grid point 173 (75/336) ======================= q-point: (-0.64 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.417 0.000 -6.482) 6.635 2.365 ( -10.476 -0.000 0.943) 10.518 2.896 ( -14.605 -0.000 -2.157) 14.763 3.091 ( 6.730 0.000 0.275) 6.735 3.994 ( 0.155 0.000 2.464) 2.469 4.525 ( 2.041 0.000 -16.207) 16.336 4.534 ( 3.955 0.000 -4.269) 5.819 4.991 ( -9.903 -0.000 4.193) 10.754 5.850 ( 1.710 0.000 2.502) 3.030 5.850 ( 3.539 0.000 -4.781) 5.948 6.106 ( 2.888 0.000 -7.461) 8.001 6.329 ( -1.481 -0.000 12.083) 12.174 6.699 ( 3.391 0.000 0.584) 3.440 6.842 ( -1.979 -0.000 -8.394) 8.624 7.370 ( -5.160 -0.000 0.936) 5.245 7.662 ( -2.019 -0.000 3.687) 4.204 7.953 ( 3.464 0.000 -5.187) 6.238 8.229 ( -1.626 -0.000 -7.480) 7.655 8.436 ( 2.847 0.000 8.216) 8.695 8.557 ( 0.763 0.000 -0.889) 1.171 8.784 ( -5.608 -0.000 -11.380) 12.687 9.307 ( 0.950 0.000 4.619) 4.715 10.048 ( 3.863 0.000 -0.464) 3.891 10.267 ( -5.382 -0.000 9.251) 10.703 11.434 ( -5.041 -0.000 -1.093) 5.159 12.071 ( -12.740 -0.000 -5.813) 14.003 12.498 ( 15.077 0.000 -1.087) 15.116 13.721 ( -3.493 -0.000 3.406) 4.879 13.952 ( 3.318 0.000 -1.131) 3.506 14.093 ( 5.003 0.000 2.378) 5.539 16.379 ( 3.472 0.000 -2.242) 4.133 16.781 ( 1.181 0.000 -7.653) 7.744 17.792 ( -11.774 -0.000 13.629) 18.011 18.749 ( -21.075 -0.000 -7.430) 22.346 19.441 ( 22.935 0.000 2.868) 23.113 22.568 ( 0.317 0.000 2.079) 2.103 ======================= Grid point 175 (76/336) ======================= q-point: (-0.55 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -2.409 1.241 -1.831) 3.271 2.169 ( -7.929 6.588 -1.452) 10.411 2.658 ( -9.407 8.873 3.293) 13.344 3.204 ( 5.127 -1.301 -1.072) 5.397 4.018 ( 0.607 -0.910 1.433) 1.803 4.491 ( 3.477 -1.748 -9.922) 10.658 4.583 ( 2.495 -5.222 -5.270) 7.828 4.908 ( -7.422 -6.003 5.307) 10.922 5.878 ( 4.278 3.545 0.224) 5.561 5.936 ( 6.651 -2.768 -5.838) 9.272 6.078 ( 2.758 3.686 -5.504) 7.175 6.392 ( 0.628 0.868 9.155) 9.217 6.704 ( -4.617 3.025 -5.058) 7.487 6.800 ( -0.212 -6.280 3.493) 7.189 7.295 ( -2.490 0.219 -3.007) 3.911 7.645 ( -4.530 -1.492 5.319) 7.144 7.978 ( 5.893 1.738 -8.651) 10.611 8.145 ( -3.279 -1.766 -8.151) 8.961 8.499 ( -0.889 3.845 -5.062) 6.419 8.523 ( -0.409 0.464 11.426) 11.443 8.705 ( -1.124 -2.761 -5.238) 6.027 9.344 ( -0.606 -0.985 5.429) 5.551 10.095 ( 3.290 1.130 -1.207) 3.682 10.222 ( -5.814 -0.294 5.568) 8.055 11.359 ( -3.766 -0.512 0.926) 3.912 11.854 ( -8.385 3.049 -2.692) 9.319 12.739 ( 14.076 -2.712 -2.779) 14.602 13.672 ( -5.470 -0.561 3.530) 6.534 13.996 ( 2.487 -0.775 -1.196) 2.867 14.190 ( 5.305 1.151 1.910) 5.755 16.407 ( 1.979 2.168 0.042) 2.936 16.774 ( 0.468 -3.775 -4.819) 6.140 17.700 ( -5.451 2.373 7.113) 9.270 18.385 ( -17.796 3.870 -1.258) 18.256 19.786 ( 16.371 -3.664 -1.731) 16.865 22.573 ( -1.377 -0.157 2.286) 2.673 ======================= Grid point 176 (77/336) ======================= q-point: (-0.45 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -4.341 3.532 4.102) 6.939 2.031 ( 0.918 12.277 4.822) 13.222 2.465 ( -5.537 12.725 5.463) 14.914 3.229 ( 1.407 7.011 -1.020) 7.223 4.057 ( 1.187 -2.935 1.824) 3.653 4.555 ( 5.261 -4.169 -1.405) 6.858 4.660 ( 3.039 -9.132 -5.127) 10.905 4.922 ( -5.471 -11.916 4.469) 13.853 5.820 ( -0.552 11.249 -6.246) 12.878 6.054 ( 6.234 0.203 -1.385) 6.389 6.133 ( 8.457 -5.536 -4.285) 10.979 6.434 ( 0.790 -0.872 1.218) 1.693 6.553 ( -7.438 0.393 -3.445) 8.206 6.858 ( -3.166 -4.240 4.289) 6.812 7.275 ( 1.562 -0.562 -0.230) 1.676 7.609 ( -4.999 -1.899 3.230) 6.248 8.005 ( 6.662 1.926 -10.012) 12.180 8.083 ( -0.720 -1.606 -5.441) 5.719 8.403 ( -2.783 2.979 -3.162) 5.159 8.591 ( -0.442 -0.891 10.217) 10.265 8.685 ( 0.123 0.295 -2.637) 2.656 9.377 ( -1.190 -1.564 6.824) 7.101 10.121 ( 2.394 0.886 -1.906) 3.186 10.154 ( -5.485 0.284 1.370) 5.661 11.355 ( 0.019 -0.988 6.435) 6.511 11.720 ( -3.105 4.190 -0.178) 5.218 12.950 ( 11.035 -2.687 -3.830) 11.986 13.600 ( -6.999 -1.408 3.063) 7.768 14.028 ( 1.261 -1.425 -1.685) 2.542 14.244 ( 2.323 2.263 -0.336) 3.260 16.411 ( 1.526 3.922 2.657) 4.977 16.806 ( 0.504 -5.325 -1.495) 5.554 17.674 ( 2.861 4.960 2.661) 6.314 18.099 ( -14.085 3.504 3.118) 14.845 19.997 ( 7.629 -4.825 -6.506) 11.127 22.556 ( -2.245 -0.159 1.507) 2.709 ======================= Grid point 177 (78/336) ======================= q-point: (-0.36 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 2.018 4.688 10.266) 11.465 2.007 ( 4.498 14.352 12.545) 19.586 2.310 ( -1.199 16.356 6.787) 17.749 3.109 ( -1.012 16.722 0.066) 16.752 4.135 ( 1.327 -5.229 3.784) 6.590 4.713 ( 7.052 -4.570 6.528) 10.641 4.790 ( 4.331 -12.490 -6.043) 14.536 4.993 ( -4.749 -15.421 2.372) 16.309 5.617 ( -3.260 13.210 -10.018) 16.896 6.089 ( 1.099 3.095 0.081) 3.286 6.324 ( 4.871 -8.924 -4.010) 10.930 6.442 ( -1.294 -1.505 -4.130) 4.582 6.474 ( 0.126 -6.886 -1.502) 7.049 6.838 ( -3.995 -0.651 3.709) 5.490 7.333 ( 2.760 -0.991 2.208) 3.671 7.562 ( -4.708 -2.942 -0.335) 5.562 8.022 ( 5.523 2.934 -11.221) 12.846 8.103 ( 4.049 -1.623 -1.055) 4.488 8.321 ( -3.325 0.970 -1.935) 3.967 8.589 ( -2.806 3.032 3.296) 5.285 8.746 ( 5.134 -1.244 7.542) 9.208 9.423 ( -0.432 -1.579 7.846) 8.015 10.050 ( -5.367 1.774 -3.889) 6.861 10.136 ( 1.280 0.021 -1.911) 2.300 11.458 ( 3.998 -0.973 12.640) 13.293 11.667 ( 1.323 5.113 1.184) 5.413 13.068 ( 2.495 -2.540 -4.343) 5.616 13.535 ( -3.711 -2.135 2.004) 4.727 14.043 ( 0.013 -2.044 -2.209) 3.010 14.209 ( -2.099 3.226 -2.986) 4.871 16.427 ( 1.969 3.802 5.608) 7.056 16.863 ( 1.951 -3.271 -0.518) 3.844 17.715 ( 5.627 7.515 3.700) 10.091 17.931 ( -5.214 1.004 3.885) 6.580 20.035 ( -2.226 -5.597 -11.005) 12.545 22.528 ( -1.871 -0.121 0.265) 1.894 ======================= Grid point 178 (79/336) ======================= q-point: (-0.27 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 3.006 0.324 5.815) 6.554 2.055 ( 6.631 16.419 20.676) 27.222 2.212 ( 4.105 20.069 10.068) 22.825 2.948 ( 4.673 20.981 1.997) 21.588 4.229 ( -0.433 -6.797 5.379) 8.679 4.911 ( 4.095 -6.413 3.652) 8.440 4.951 ( 4.866 -10.482 1.765) 11.691 5.064 ( -4.098 -13.922 -3.403) 14.906 5.392 ( -2.014 9.768 -8.548) 13.136 6.038 ( -2.175 3.660 -2.592) 4.984 6.357 ( -4.886 -9.870 -1.319) 11.092 6.416 ( -3.284 -1.187 -0.898) 3.605 6.628 ( 7.808 -7.798 -3.931) 11.714 6.829 ( 0.050 -1.335 3.626) 3.864 7.376 ( 0.056 -0.207 1.285) 1.303 7.522 ( -2.614 -3.491 -2.930) 5.254 7.992 ( 3.447 4.540 -10.365) 11.829 8.191 ( 3.534 -3.152 -4.543) 6.562 8.254 ( -3.258 -0.383 0.683) 3.351 8.573 ( 3.130 4.506 7.857) 9.583 8.911 ( 6.008 -1.984 9.997) 11.831 9.486 ( 0.124 -1.726 8.322) 8.500 9.898 ( -6.076 3.605 -7.463) 10.277 10.135 ( 0.531 0.009 -3.361) 3.403 11.598 ( 0.577 1.277 12.674) 12.751 11.696 ( 8.129 5.736 4.053) 10.743 13.021 ( -7.140 -3.968 -4.525) 9.338 13.561 ( 2.466 -2.007 0.421) 3.207 14.044 ( -1.020 -2.657 -2.033) 3.498 14.097 ( -4.245 3.584 -3.662) 6.654 16.465 ( 1.485 3.069 7.585) 8.316 16.912 ( 4.087 0.498 -3.056) 5.128 17.716 ( -2.934 3.901 9.228) 10.440 17.986 ( 10.472 4.326 1.444) 11.422 19.923 ( -8.322 -7.424 -13.295) 17.353 22.507 ( -0.679 -0.080 -0.832) 1.076 ======================= Grid point 179 (80/336) ======================= q-point: (-0.18 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 1.932 -1.819 -4.584) 5.296 2.112 ( 3.434 17.944 22.169) 28.727 2.209 ( 9.112 18.886 14.326) 25.396 2.965 ( 16.734 16.610 6.853) 24.554 4.303 ( -3.299 -8.102 4.947) 10.050 4.972 ( -4.368 0.741 -7.028) 8.308 4.978 ( -5.905 -8.491 -1.995) 10.533 5.188 ( 7.182 -5.367 4.443) 10.007 5.351 ( 2.321 -5.359 -1.020) 5.929 5.939 ( -3.433 2.096 -4.690) 6.178 6.344 ( -3.725 4.389 3.624) 6.802 6.384 ( -3.647 -11.625 -1.741) 12.308 6.741 ( 1.274 -7.109 -7.779) 10.615 6.932 ( 5.718 -3.338 7.475) 9.986 7.357 ( -2.739 1.017 0.726) 3.011 7.504 ( 0.621 -2.836 -5.497) 6.216 7.911 ( -0.878 6.389 -7.741) 10.075 8.175 ( -1.668 -0.661 -1.743) 2.501 8.280 ( 3.095 -4.735 -5.775) 8.084 8.697 ( 5.288 0.490 12.408) 13.496 9.083 ( 6.340 -0.478 10.859) 12.583 9.543 ( -2.692 -2.216 7.106) 7.915 9.712 ( -4.676 5.098 -7.932) 10.525 10.110 ( 0.091 1.085 -4.672) 4.797 11.610 ( -1.416 5.431 7.596) 9.444 11.799 ( 5.958 7.507 5.784) 11.194 12.935 ( -4.791 -7.182 -5.022) 9.988 13.611 ( 1.368 -0.722 -0.838) 1.759 13.965 ( -4.030 3.035 -2.341) 5.562 14.069 ( -0.082 -3.984 -0.219) 3.991 16.499 ( 0.974 2.838 5.909) 6.627 16.972 ( 7.894 1.586 -3.833) 8.918 17.658 ( -4.732 6.489 4.501) 9.207 18.092 ( 4.730 7.178 5.910) 10.432 19.837 ( -2.741 -13.250 -11.191) 17.559 22.497 ( 0.357 0.108 -1.636) 1.678 ======================= Grid point 180 (81/336) ======================= q-point: (-0.09 0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 3.844 -1.323 -11.381) 12.085 2.154 ( 4.702 13.620 21.837) 26.162 2.284 ( 8.974 14.727 13.422) 21.853 3.207 ( 20.045 9.565 9.296) 24.077 4.325 ( -6.103 -8.240 1.872) 10.423 4.840 ( -3.615 -0.232 -7.860) 8.655 4.905 ( -8.383 -1.690 -2.007) 8.784 5.330 ( 0.886 -1.627 9.335) 9.518 5.481 ( 5.143 -9.787 -3.110) 11.486 5.848 ( -2.678 0.112 -5.433) 6.058 6.275 ( -2.384 5.541 5.569) 8.210 6.429 ( -1.534 -9.744 -3.942) 10.622 6.722 ( -4.541 -4.880 -5.825) 8.852 7.115 ( 5.320 -2.634 7.752) 9.764 7.302 ( -1.836 -0.989 0.007) 2.085 7.544 ( 5.007 -1.754 -7.151) 8.904 7.766 ( -3.217 6.319 -4.100) 8.191 8.154 ( -0.654 -0.766 -1.834) 2.092 8.340 ( 2.738 -3.015 -4.219) 5.865 8.811 ( -0.173 -1.960 5.876) 6.196 9.252 ( 5.090 1.902 11.051) 12.315 9.447 ( -6.901 -0.176 -3.997) 7.977 9.662 ( 0.712 1.022 5.674) 5.809 10.065 ( 0.046 2.214 -4.700) 5.196 11.556 ( -2.284 6.577 5.219) 8.701 11.821 ( 3.620 8.234 3.820) 9.772 12.940 ( 0.527 -5.919 -6.054) 8.483 13.609 ( -1.185 -0.724 -0.218) 1.406 13.879 ( -2.483 1.233 -2.444) 3.695 14.116 ( -0.066 -4.077 1.822) 4.467 16.513 ( 2.544 4.636 0.445) 5.307 17.098 ( 9.740 -1.092 -1.591) 9.930 17.476 ( -4.588 13.707 -4.438) 15.120 18.094 ( -5.299 2.500 15.783) 16.836 19.941 ( 4.074 -15.309 -9.335) 18.388 22.492 ( 0.866 0.618 -2.309) 2.543 ======================= Grid point 186 (82/336) ======================= q-point: (-0.55 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -4.587 -0.000 5.492) 7.156 2.152 ( 0.115 0.000 4.335) 4.337 2.604 ( -4.906 -0.000 3.798) 6.204 3.281 ( 5.359 0.000 -2.970) 6.127 4.027 ( -0.279 -0.000 2.477) 2.492 4.516 ( 5.788 0.000 -1.863) 6.080 4.569 ( 2.536 0.000 -4.167) 4.878 4.803 ( -6.009 -0.000 5.113) 7.890 5.943 ( 3.207 0.000 -5.990) 6.795 6.043 ( 10.701 0.000 -6.243) 12.389 6.089 ( 1.793 0.000 -3.328) 3.780 6.420 ( -3.617 -0.000 4.732) 5.956 6.568 ( -9.508 -0.000 -2.051) 9.726 6.811 ( 1.023 0.000 3.734) 3.871 7.269 ( 1.583 0.000 -1.389) 2.106 7.587 ( -5.356 -0.000 3.278) 6.280 8.031 ( 6.570 0.000 -10.284) 12.203 8.059 ( -0.118 -0.000 -6.182) 6.183 8.434 ( -5.051 -0.000 -2.828) 5.789 8.583 ( -0.272 -0.000 10.712) 10.715 8.686 ( 2.009 0.000 -2.819) 3.462 9.361 ( -1.043 -0.000 6.828) 6.907 10.129 ( 1.841 0.000 -2.925) 3.456 10.156 ( -5.354 -0.000 2.715) 6.003 11.346 ( 0.124 0.000 6.706) 6.707 11.761 ( -3.829 -0.000 0.137) 3.832 12.924 ( 12.068 0.000 -4.155) 12.764 13.586 ( -7.136 -0.000 3.109) 7.784 14.015 ( 1.307 0.000 -1.782) 2.210 14.265 ( 2.254 0.000 -0.238) 2.267 16.459 ( 1.657 0.000 3.328) 3.718 16.744 ( 0.998 0.000 -1.374) 1.698 17.722 ( 3.031 0.000 3.126) 4.354 18.133 ( -15.831 -0.000 2.819) 16.080 19.950 ( 8.528 0.000 -6.939) 10.994 22.555 ( -2.169 -0.000 1.491) 2.632 ======================= Grid point 188 (83/336) ======================= q-point: (-0.45 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -1.009 0.898 9.282) 9.379 2.210 ( 4.521 6.197 12.364) 14.550 2.557 ( 0.783 7.908 4.479) 9.122 3.299 ( 1.159 4.390 -3.009) 5.447 4.052 ( -0.199 -2.790 3.376) 4.384 4.616 ( 3.312 -5.132 -3.435) 7.008 4.655 ( 8.173 -1.609 7.034) 10.902 4.777 ( -4.436 -6.478 3.386) 8.550 5.846 ( -2.209 9.626 -11.156) 14.899 6.125 ( 1.409 0.435 -0.972) 1.766 6.163 ( 3.932 -6.877 -6.437) 10.207 6.398 ( 0.127 -1.587 -2.480) 2.947 6.424 ( -5.027 -0.579 2.210) 5.521 6.838 ( -0.796 0.238 4.003) 4.089 7.316 ( 3.337 -0.626 -0.165) 3.399 7.513 ( -5.586 -1.751 -0.936) 5.928 8.056 ( 5.478 1.173 -9.816) 11.302 8.077 ( 4.362 -1.156 -4.398) 6.302 8.341 ( -4.517 0.768 -0.562) 4.616 8.642 ( 0.402 2.305 8.400) 8.720 8.720 ( 3.184 -1.412 2.846) 4.498 9.399 ( -0.293 -0.768 7.891) 7.933 10.079 ( -4.180 1.204 -1.753) 4.690 10.125 ( 0.013 -0.815 -3.460) 3.555 11.447 ( 4.093 -0.260 13.758) 14.357 11.734 ( 1.048 1.876 1.384) 2.556 13.036 ( 2.957 -0.889 -4.272) 5.271 13.507 ( -3.749 -0.821 1.942) 4.301 14.016 ( 0.020 -0.760 -2.500) 2.613 14.250 ( -2.191 1.126 -2.888) 3.796 16.498 ( 1.520 2.925 6.356) 7.160 16.796 ( 3.466 -2.848 1.417) 4.704 17.814 ( 3.071 2.805 4.960) 6.474 17.944 ( -5.004 0.414 1.926) 5.377 19.962 ( -1.362 -2.082 -11.780) 12.039 22.527 ( -1.795 -0.031 0.263) 1.815 ======================= Grid point 189 (84/336) ======================= q-point: (-0.36 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -0.503 -0.208 5.383) 5.410 2.328 ( 8.042 11.599 18.393) 23.184 2.541 ( 5.587 13.873 7.719) 16.831 3.218 ( -0.656 8.328 -1.324) 8.458 4.104 ( -1.549 -5.836 3.757) 7.111 4.724 ( 4.079 -8.857 -4.205) 10.619 4.810 ( -3.422 -10.643 1.128) 11.237 4.871 ( 8.095 -2.300 12.571) 15.128 5.614 ( -3.785 12.165 -11.616) 17.241 6.073 ( -4.689 -2.245 -5.674) 7.695 6.204 ( -3.276 -3.781 0.881) 5.080 6.357 ( -1.738 -4.556 -0.333) 4.888 6.544 ( 10.085 -1.466 -2.199) 10.425 6.840 ( -0.337 1.600 4.829) 5.098 7.361 ( 1.529 -1.028 -1.289) 2.248 7.448 ( -2.965 -3.826 -4.631) 6.699 8.049 ( 3.690 1.879 -12.020) 12.713 8.143 ( 3.930 -1.979 -4.269) 6.131 8.264 ( -4.476 1.027 1.232) 4.755 8.669 ( 2.981 5.491 8.785) 10.780 8.861 ( 5.744 -3.412 9.336) 11.480 9.455 ( -0.298 -1.372 8.127) 8.247 9.968 ( -4.084 3.721 -5.894) 8.079 10.112 ( -0.511 -2.275 -4.050) 4.673 11.607 ( 2.040 0.151 16.782) 16.906 11.789 ( 8.403 3.704 2.747) 9.585 12.964 ( -9.261 -2.027 -3.686) 10.171 13.528 ( 3.411 -1.322 0.388) 3.679 14.002 ( -0.939 -1.622 -2.984) 3.524 14.153 ( -4.753 2.111 -3.943) 6.527 16.534 ( 1.032 3.775 8.840) 9.668 16.898 ( 5.247 -1.606 0.280) 5.494 17.733 ( -10.552 -0.724 10.141) 14.653 18.088 ( 17.918 5.117 -0.125) 18.635 19.812 ( -9.822 -4.246 -15.302) 18.672 22.506 ( -0.592 -0.010 -0.754) 0.959 ======================= Grid point 190 (85/336) ======================= q-point: (-0.27 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.393 -1.475 -1.493) 2.135 2.422 ( 3.941 14.601 18.993) 24.278 2.565 ( 8.093 18.140 10.666) 22.546 3.179 ( 5.920 5.978 2.263) 8.713 4.145 ( -4.285 -8.152 3.126) 9.725 4.805 ( -3.619 -8.972 -0.908) 9.717 4.885 ( 1.896 -8.815 -5.288) 10.453 5.082 ( 4.981 -3.654 11.561) 13.108 5.412 ( -0.059 8.333 -7.931) 11.504 5.973 ( -4.669 -0.018 -5.501) 7.215 6.193 ( -3.956 -6.634 1.374) 7.846 6.386 ( 0.142 -0.830 3.075) 3.188 6.659 ( 4.985 -0.937 -7.044) 8.680 6.897 ( 4.380 -0.729 7.522) 8.735 7.367 ( -0.832 -0.038 -0.533) 0.989 7.431 ( 0.190 -4.501 -7.286) 8.567 7.997 ( 0.860 2.697 -11.139) 11.493 8.166 ( 0.371 -0.862 -4.972) 5.059 8.210 ( -0.736 -1.784 -1.332) 2.345 8.749 ( 3.384 4.275 12.603) 13.732 9.058 ( 7.537 -2.150 11.122) 13.606 9.499 ( -2.700 -2.169 7.088) 7.889 9.815 ( -3.686 5.811 -7.221) 9.975 10.101 ( -0.228 -2.152 -4.970) 5.421 11.680 ( -1.613 2.322 12.026) 12.354 11.936 ( 9.570 6.735 5.638) 12.990 12.807 ( -9.495 -6.009 -3.835) 11.873 13.600 ( 3.300 -0.453 -0.425) 3.358 13.985 ( -1.716 -2.027 -2.635) 3.741 14.039 ( -3.244 1.726 -2.387) 4.382 16.562 ( 0.096 3.786 9.150) 9.902 16.991 ( 6.992 0.455 -3.098) 7.661 17.667 ( -9.081 -3.343 12.159) 15.540 18.299 ( 15.016 12.638 0.226) 19.628 19.612 ( -8.525 -10.529 -14.900) 20.138 22.500 ( 0.601 0.140 -1.229) 1.376 ======================= Grid point 191 (86/336) ======================= q-point: (-0.18 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 2.159 -1.705 -7.812) 8.282 2.432 ( 1.034 14.803 19.510) 24.511 2.572 ( 6.000 15.873 8.460) 18.961 3.324 ( 11.882 2.127 5.793) 13.389 4.156 ( -6.147 -9.106 1.506) 11.089 4.776 ( -6.665 -5.124 -2.287) 8.713 4.897 ( -1.877 -0.791 -4.937) 5.341 5.250 ( 4.467 -7.197 3.120) 9.027 5.387 ( 3.752 0.433 0.165) 3.780 5.864 ( -3.736 1.273 -5.472) 6.747 6.214 ( -3.123 -7.778 0.805) 8.420 6.415 ( 2.464 4.428 4.885) 7.038 6.650 ( -0.728 -1.999 -8.410) 8.675 7.064 ( 6.441 -2.849 9.130) 11.531 7.306 ( -3.962 1.061 -2.275) 4.690 7.479 ( 5.505 -4.621 -6.735) 9.850 7.874 ( -3.905 4.532 -9.259) 11.023 8.143 ( -0.263 -0.335 -2.644) 2.678 8.266 ( 4.467 -4.524 -3.646) 7.329 8.815 ( -0.640 2.206 10.940) 11.179 9.265 ( 7.633 -0.212 10.926) 13.330 9.450 ( -7.960 -0.191 -0.587) 7.984 9.706 ( -0.383 3.930 0.753) 4.020 10.081 ( -0.122 -0.712 -4.981) 5.033 11.666 ( -3.957 4.731 8.564) 10.554 11.979 ( 2.483 8.835 2.944) 9.638 12.786 ( 0.058 -9.898 -3.476) 10.491 13.619 ( 0.220 1.407 -0.897) 1.683 13.914 ( -3.332 1.952 -2.354) 4.523 14.043 ( 1.141 -3.406 0.736) 3.667 16.585 ( 1.398 3.345 6.125) 7.118 17.088 ( 8.101 -0.092 -3.910) 8.996 17.614 ( -8.631 0.126 8.744) 12.287 18.257 ( -2.489 15.582 1.428) 15.844 19.648 ( 5.806 -15.972 -9.795) 19.616 22.504 ( 1.240 0.616 -1.317) 1.911 ======================= Grid point 192 (87/336) ======================= q-point: (-0.09 0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 3.010 -1.682 -12.668) 13.129 2.439 ( 0.163 10.228 18.847) 21.444 2.577 ( 3.880 10.107 7.662) 13.263 3.524 ( 8.968 0.468 3.768) 9.739 4.145 ( -5.743 -7.951 1.402) 9.908 4.690 ( -5.091 -4.022 -5.888) 8.761 4.811 ( -3.827 3.976 -2.548) 6.078 5.364 ( 0.421 -4.563 2.636) 5.287 5.500 ( 6.672 -4.986 0.064) 8.329 5.770 ( -2.696 0.489 -5.492) 6.138 6.229 ( -3.043 -4.583 -0.983) 5.588 6.412 ( 0.627 4.679 -0.646) 4.765 6.625 ( 0.047 -2.039 -0.303) 2.062 7.164 ( -1.789 1.027 0.400) 2.101 7.297 ( 2.958 -3.750 2.904) 5.590 7.573 ( 6.071 -0.618 -8.341) 10.335 7.732 ( -2.051 -0.543 -4.024) 4.549 8.135 ( 0.620 -0.052 -1.338) 1.476 8.343 ( 2.219 -1.445 -1.233) 2.921 8.816 ( -1.513 2.197 1.093) 2.883 9.271 ( -8.661 2.097 1.854) 9.102 9.434 ( 4.056 -0.411 3.176) 5.168 9.712 ( -0.404 0.667 7.531) 7.571 10.060 ( 0.707 0.356 -2.025) 2.174 11.584 ( -4.626 4.519 4.761) 8.031 11.946 ( 0.657 5.440 2.452) 6.003 12.893 ( 4.471 -6.379 -3.969) 8.743 13.587 ( -1.395 1.429 0.029) 1.997 13.841 ( -1.702 1.541 -2.223) 3.196 14.100 ( 0.662 -2.660 1.688) 3.219 16.614 ( 3.502 4.696 0.833) 5.917 17.192 ( 5.372 -0.738 -5.219) 7.526 17.484 ( -4.548 5.800 2.303) 7.721 18.087 ( -10.136 2.960 12.189) 16.127 19.862 ( 8.765 -10.606 -8.503) 16.174 22.510 ( 1.571 1.312 -1.165) 2.355 ======================= Grid point 199 (88/336) ======================= q-point: ( 0.55 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -1.448 -0.000 5.665) 5.847 2.445 ( 8.523 0.000 17.701) 19.646 2.681 ( 6.181 0.000 6.347) 8.860 3.289 ( -2.879 -0.000 -2.701) 3.947 4.043 ( -1.828 -0.000 2.994) 3.508 4.634 ( 4.363 0.000 -2.697) 5.130 4.703 ( -2.861 -0.000 1.371) 3.172 4.851 ( 8.314 0.000 13.638) 15.973 5.770 ( -4.642 -0.000 -12.738) 13.557 5.990 ( -6.342 -0.000 -8.544) 10.640 6.210 ( 2.976 0.000 2.766) 4.063 6.293 ( -5.692 -0.000 0.949) 5.770 6.537 ( 10.995 0.000 -1.132) 11.053 6.859 ( -0.481 -0.000 5.216) 5.238 7.350 ( 2.412 0.000 -2.610) 3.554 7.406 ( -3.532 -0.000 -5.345) 6.407 8.068 ( 3.586 0.000 -12.313) 12.824 8.122 ( 3.753 0.000 -3.959) 5.455 8.276 ( -4.412 -0.000 1.185) 4.569 8.753 ( 2.243 0.000 11.220) 11.442 8.799 ( 6.397 0.000 6.952) 9.447 9.441 ( -0.380 -0.000 8.040) 8.049 10.020 ( -2.376 -0.000 -3.833) 4.510 10.072 ( -1.877 -0.000 -5.722) 6.022 11.609 ( 2.347 0.000 17.789) 17.943 11.825 ( 8.667 0.000 2.560) 9.037 12.945 ( -10.080 -0.000 -3.348) 10.622 13.515 ( 3.766 0.000 0.356) 3.782 13.986 ( -0.995 -0.000 -3.235) 3.384 14.173 ( -4.821 -0.000 -4.019) 6.277 16.577 ( 0.516 0.000 9.137) 9.152 16.877 ( 6.089 0.000 2.284) 6.504 17.723 ( -12.443 -0.000 8.535) 15.089 18.140 ( 19.914 0.000 0.184) 19.914 19.771 ( -10.572 -0.000 -15.714) 18.940 22.506 ( -0.563 -0.000 -0.718) 0.912 ======================= Grid point 201 (89/336) ======================= q-point: (-0.36 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.442 -0.504 -0.003) 0.670 2.626 ( 3.503 6.171 16.821) 18.256 2.842 ( 11.567 9.688 9.763) 17.972 3.210 ( -3.719 -1.254 -0.751) 3.996 4.025 ( -4.336 -3.816 1.641) 6.005 4.675 ( -2.161 -4.036 -0.021) 4.578 4.740 ( 6.377 -4.768 -3.871) 8.854 5.046 ( 3.395 -0.738 15.059) 15.455 5.574 ( -3.636 7.068 -12.531) 14.840 5.890 ( -4.735 -5.980 -6.380) 9.944 6.198 ( -1.307 5.210 3.434) 6.375 6.313 ( 1.025 -5.999 2.324) 6.515 6.688 ( 9.462 2.303 -4.099) 10.566 6.889 ( 0.016 -0.393 7.544) 7.555 7.353 ( 1.447 -1.685 -6.736) 7.093 7.366 ( 0.326 -1.161 -3.407) 3.614 8.025 ( 0.878 0.663 -12.592) 12.640 8.137 ( 2.460 -1.260 -7.721) 8.201 8.212 ( -4.079 0.672 2.052) 4.615 8.830 ( 1.326 3.384 11.997) 12.536 9.011 ( 9.547 -2.340 11.633) 15.230 9.470 ( -2.770 -0.869 7.156) 7.722 9.925 ( -2.059 5.708 -6.241) 8.704 10.034 ( -1.220 -4.601 -5.681) 7.412 11.706 ( -1.547 0.600 14.299) 14.395 12.031 ( 13.375 2.897 5.444) 14.728 12.724 ( -14.508 -2.498 -3.326) 15.093 13.594 ( 4.731 -0.186 0.135) 4.737 13.951 ( -1.190 -1.026 -3.372) 3.720 14.070 ( -4.238 0.955 -2.935) 5.243 16.624 ( -1.006 2.120 10.874) 11.124 16.992 ( 6.913 -0.188 -0.611) 6.942 17.603 ( -10.554 -2.304 10.562) 15.108 18.491 ( 24.395 6.249 1.304) 25.217 19.461 ( -16.117 -4.844 -17.532) 24.302 22.502 ( 0.727 0.064 -0.972) 1.216 ======================= Grid point 202 (90/336) ======================= q-point: (-0.27 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 1.900 -0.815 -5.044) 5.451 2.669 ( -0.997 9.617 17.189) 19.721 2.864 ( 1.068 14.743 4.326) 15.402 3.288 ( 6.777 -5.336 4.388) 9.678 4.005 ( -4.528 -6.446 0.594) 7.900 4.676 ( -3.355 -4.863 0.429) 5.924 4.861 ( 5.394 -2.576 -5.643) 8.220 5.140 ( -0.682 -3.822 6.800) 7.830 5.433 ( 0.115 3.537 -6.773) 7.642 5.843 ( -3.108 -4.150 -6.238) 8.111 6.167 ( -0.135 3.661 4.479) 5.786 6.416 ( 3.427 -4.619 3.395) 6.679 6.702 ( 1.906 7.304 -5.227) 9.182 6.996 ( 4.218 -4.930 7.098) 9.616 7.328 ( -3.031 1.144 -2.438) 4.055 7.396 ( 5.695 -3.565 -6.774) 9.541 7.925 ( -3.317 1.116 -12.291) 12.780 8.144 ( 1.533 0.079 -4.572) 4.823 8.194 ( 2.283 -2.474 -0.873) 3.478 8.871 ( -1.658 3.050 12.139) 12.626 9.252 ( 9.146 -0.927 11.165) 14.463 9.437 ( -6.805 -0.902 3.281) 7.608 9.805 ( -1.018 6.395 -3.397) 7.312 10.034 ( -0.252 -4.254 -5.065) 6.620 11.728 ( -3.958 1.992 11.113) 11.964 12.155 ( 3.121 9.851 1.988) 10.523 12.589 ( -3.967 -10.703 -2.081) 11.603 13.649 ( 2.463 1.538 0.038) 2.904 13.926 ( -1.550 -0.860 -2.834) 3.342 14.009 ( -0.441 -0.049 -0.159) 0.472 16.642 ( -1.645 2.578 10.600) 11.033 17.090 ( 7.481 0.186 -4.743) 8.860 17.553 ( -9.265 -4.457 13.225) 16.751 18.612 ( 1.142 20.570 -5.935) 21.440 19.338 ( 4.894 -17.401 -9.454) 20.399 22.514 ( 1.508 0.388 -0.538) 1.648 ======================= Grid point 203 (91/336) ======================= q-point: (-0.18 0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 3.126 -0.089 -9.331) 9.841 2.630 ( -4.935 9.593 15.678) 19.031 2.753 ( -3.471 8.031 4.259) 9.731 3.476 ( 6.398 -4.587 2.966) 8.412 4.020 ( -0.920 -5.457 0.730) 5.582 4.640 ( -4.423 -1.531 -2.292) 5.212 4.860 ( -0.167 1.950 -3.525) 4.032 5.255 ( 4.019 -6.982 -0.350) 8.063 5.401 ( 0.291 -4.550 -4.818) 6.634 5.788 ( -1.598 -0.105 -5.137) 5.381 6.173 ( -0.135 1.114 4.034) 4.187 6.542 ( 4.884 0.804 5.765) 7.598 6.589 ( -1.545 4.962 -7.934) 9.485 7.159 ( 2.575 -4.191 7.423) 8.905 7.249 ( -1.104 0.484 -3.040) 3.270 7.506 ( 7.493 -4.711 -5.680) 10.516 7.754 ( -6.323 1.759 -11.814) 13.515 8.145 ( 1.591 1.133 -0.066) 1.954 8.292 ( 5.464 -3.674 -2.095) 6.909 8.868 ( -2.635 3.070 7.895) 8.871 9.300 ( -9.290 0.944 -0.400) 9.347 9.438 ( 5.447 0.414 5.767) 7.943 9.750 ( -0.501 3.647 4.027) 5.456 10.041 ( 0.136 -2.616 -2.520) 3.635 11.668 ( -6.627 4.049 6.854) 10.358 12.042 ( -4.655 5.216 0.203) 6.994 12.728 ( 6.545 -10.122 -1.355) 12.130 13.644 ( 0.340 3.887 0.150) 3.905 13.876 ( -1.453 1.755 -2.151) 3.134 14.050 ( 2.045 -2.408 1.658) 3.568 16.666 ( -0.001 1.272 8.089) 8.189 17.173 ( 7.049 -0.545 -7.189) 10.083 17.521 ( -8.895 -2.041 12.266) 15.289 18.251 ( -14.293 13.305 -6.249) 20.503 19.657 ( 16.962 -10.971 -4.676) 20.735 22.533 ( 1.742 1.050 0.197) 2.043 ======================= Grid point 204 (92/336) ======================= q-point: (-0.09 -0.45 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 2.099 0.492 -13.202) 13.377 2.541 ( -7.864 3.097 10.873) 13.771 2.656 ( -7.238 3.338 8.452) 11.617 3.571 ( -1.101 -3.970 -2.515) 4.827 4.087 ( 3.614 -1.370 3.142) 4.981 4.574 ( -0.789 -1.657 -5.859) 6.140 4.808 ( -0.351 5.175 -2.159) 5.618 5.284 ( -4.193 -6.497 -1.848) 7.950 5.535 ( 8.507 -10.435 -6.974) 15.163 5.734 ( -1.129 3.051 -1.765) 3.701 6.161 ( -2.569 1.162 -0.189) 2.826 6.452 ( 0.557 7.105 -3.718) 8.038 6.677 ( 4.777 -1.255 5.082) 7.087 7.128 ( -3.721 2.894 -2.434) 5.305 7.318 ( 1.071 -1.458 0.323) 1.837 7.608 ( -0.719 -1.020 -6.633) 6.749 7.651 ( 6.387 -8.434 -4.340) 11.435 8.170 ( 1.333 1.490 3.710) 4.215 8.367 ( 2.234 0.233 -0.751) 2.368 8.818 ( -1.287 4.650 -4.008) 6.272 9.161 ( -6.501 -1.263 1.242) 6.738 9.476 ( -1.259 2.832 -0.487) 3.137 9.755 ( -1.148 0.971 8.436) 8.569 10.075 ( 1.720 -2.164 2.789) 3.927 11.554 ( -6.095 2.883 3.021) 7.388 11.957 ( -3.881 0.052 1.266) 4.083 12.906 ( 6.252 -5.976 -1.773) 8.829 13.601 ( -0.585 4.430 0.618) 4.511 13.839 ( 0.775 2.302 -1.445) 2.826 14.105 ( 0.843 -1.267 1.549) 2.172 16.698 ( 0.371 2.320 3.186) 3.959 17.206 ( 2.606 2.426 -10.850) 11.419 17.480 ( -2.540 -1.857 9.363) 9.878 17.952 ( -14.405 -1.091 4.967) 15.276 19.932 ( 12.568 -1.966 -5.910) 14.026 22.551 ( 1.726 1.705 0.943) 2.603 ======================= Grid point 212 (93/336) ======================= q-point: ( 0.64 -0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 1.919 0.000 -4.037) 4.470 2.764 ( -1.783 -0.000 16.159) 16.257 3.066 ( -9.566 -0.000 -1.366) 9.663 3.176 ( 13.542 0.000 8.301) 15.884 3.940 ( -3.712 -0.000 0.326) 3.727 4.625 ( -1.959 -0.000 1.147) 2.270 4.831 ( 10.519 0.000 -5.700) 11.964 5.106 ( -4.708 -0.000 8.546) 9.757 5.479 ( -2.680 -0.000 -11.261) 11.575 5.783 ( -1.601 -0.000 -3.731) 4.060 6.286 ( 0.476 0.000 3.477) 3.509 6.295 ( 3.708 0.000 3.413) 5.040 6.837 ( 9.558 0.000 -4.363) 10.506 6.892 ( -3.742 -0.000 6.418) 7.429 7.344 ( -2.221 -0.000 -0.419) 2.260 7.358 ( 6.319 0.000 -7.890) 10.109 7.932 ( -3.075 -0.000 -12.971) 13.330 8.139 ( 5.446 0.000 -8.884) 10.420 8.178 ( -2.209 -0.000 3.421) 4.072 8.904 ( -2.334 -0.000 12.081) 12.304 9.241 ( 10.096 0.000 11.392) 15.222 9.427 ( -6.490 -0.000 4.533) 7.916 9.928 ( 0.064 0.000 -4.608) 4.608 9.932 ( -1.371 -0.000 -5.071) 5.253 11.746 ( -3.840 -0.000 11.911) 12.514 12.302 ( 13.994 0.000 3.440) 14.411 12.434 ( -16.322 -0.000 -3.400) 16.672 13.665 ( 3.618 0.000 0.818) 3.709 13.912 ( -0.515 -0.000 -3.077) 3.120 14.014 ( -1.581 -0.000 -0.682) 1.722 16.669 ( -3.355 -0.000 12.448) 12.893 17.092 ( 7.352 0.000 -4.541) 8.641 17.504 ( -8.795 -0.000 12.536) 15.313 18.981 ( 28.859 0.000 2.271) 28.948 19.002 ( -22.028 -0.000 -18.656) 28.867 22.518 ( 1.605 0.000 -0.243) 1.623 ======================= Grid point 214 (94/336) ======================= q-point: (-0.27 -0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 3.808 0.236 -6.769) 7.770 2.771 ( -7.296 4.664 15.887) 18.093 2.854 ( -12.101 2.505 -0.714) 12.378 3.401 ( 7.530 -2.465 2.533) 8.318 3.943 ( 2.681 -2.380 1.113) 3.754 4.615 ( -1.830 -1.111 1.893) 2.858 4.931 ( 4.758 6.093 -6.154) 9.881 5.096 ( 3.043 -9.078 -3.088) 10.060 5.361 ( -5.782 -0.458 -6.976) 9.073 5.761 ( 0.029 -1.557 -4.029) 4.320 6.270 ( 1.042 7.278 5.737) 9.326 6.443 ( 5.303 -6.807 1.839) 8.822 6.781 ( -1.565 10.392 -1.107) 10.568 7.020 ( 5.302 -8.910 1.250) 10.443 7.283 ( -3.417 1.584 -0.513) 3.801 7.440 ( 6.713 -1.964 -5.362) 8.813 7.776 ( -5.830 0.526 -12.904) 14.170 8.175 ( 2.275 1.942 1.111) 3.191 8.225 ( 6.334 -3.122 -3.260) 7.777 8.915 ( -3.620 1.515 10.189) 10.919 9.308 ( -9.083 0.070 0.756) 9.114 9.443 ( 6.428 0.101 6.728) 9.306 9.845 ( -0.325 6.131 -0.028) 6.140 9.962 ( -0.065 -5.573 -1.992) 5.919 11.723 ( -6.176 1.535 8.893) 10.936 12.138 ( -12.823 4.102 -2.309) 13.660 12.559 ( 10.646 -6.376 0.322) 12.414 13.707 ( 1.809 2.163 1.253) 3.085 13.893 ( 0.029 0.094 -2.403) 2.405 14.020 ( 1.693 -0.695 1.315) 2.254 16.677 ( -4.523 0.156 12.657) 13.442 17.171 ( 7.815 0.078 -9.342) 12.180 17.469 ( -7.807 -2.090 15.270) 17.277 18.482 ( -21.628 8.382 -16.135) 28.255 19.481 ( 25.670 -6.254 0.152) 26.422 22.547 ( 1.860 0.401 1.013) 2.155 ======================= Grid point 215 (95/336) ======================= q-point: (-0.18 -0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 2.535 2.103 -8.951) 9.538 2.574 ( -15.471 0.569 0.476) 15.489 2.719 ( -10.920 2.800 15.023) 18.782 3.481 ( -1.556 -4.315 -3.629) 5.849 4.077 ( 10.182 -0.406 2.704) 10.543 4.585 ( -1.420 2.126 -1.379) 2.905 4.883 ( 2.676 3.661 -5.179) 6.883 5.202 ( -8.073 -2.215 -3.684) 9.146 5.309 ( 9.771 -12.471 -10.311) 18.902 5.753 ( 0.563 -0.565 -3.785) 3.868 6.243 ( -1.216 6.841 6.332) 9.400 6.576 ( 4.368 -0.227 -4.521) 6.290 6.673 ( 2.377 6.305 2.139) 7.069 7.149 ( -2.908 -3.291 3.293) 5.489 7.266 ( 5.246 -2.109 -0.107) 5.655 7.482 ( -3.547 -5.252 -9.170) 11.147 7.643 ( 2.668 1.272 -7.730) 8.276 8.204 ( 0.812 1.957 5.121) 5.542 8.343 ( 6.665 -2.269 -3.324) 7.786 8.890 ( -2.143 2.788 3.292) 4.817 9.149 ( -8.754 -0.132 -2.721) 9.168 9.520 ( 0.536 1.710 2.203) 2.840 9.804 ( -0.980 4.315 5.319) 6.918 10.012 ( 0.562 -4.663 2.057) 5.128 11.624 ( -7.562 4.162 4.938) 9.945 11.940 ( -9.203 -1.564 0.161) 9.336 12.776 ( 8.958 -6.474 -0.646) 11.072 13.698 ( 0.245 4.834 1.342) 5.023 13.882 ( 1.421 1.900 -1.497) 2.805 14.077 ( 2.138 -1.523 1.450) 2.999 16.689 ( -4.038 -2.111 10.877) 11.792 17.226 ( 7.453 0.637 -12.484) 14.554 17.458 ( -7.213 -1.372 14.952) 16.658 17.997 ( -19.858 4.453 -10.277) 22.799 19.891 ( 20.517 -2.097 -2.252) 20.746 22.578 ( 1.573 1.066 2.172) 2.885 ======================= Grid point 216 (96/336) ======================= q-point: (-0.09 -0.36 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -3.309 2.912 -11.272) 12.103 2.345 ( -16.860 -6.873 0.059) 18.207 2.597 ( -11.587 3.570 15.735) 19.865 3.382 ( -12.344 -6.956 -8.095) 16.318 4.247 ( 9.017 6.237 1.655) 11.088 4.571 ( 5.673 -0.641 -3.966) 6.951 4.874 ( 4.037 6.376 -3.448) 8.297 5.098 ( -6.392 -9.737 -3.665) 12.211 5.510 ( 7.759 -10.164 -12.387) 17.803 5.754 ( 2.591 0.969 -0.271) 2.780 6.171 ( -2.201 7.680 2.623) 8.409 6.548 ( 4.650 8.022 -2.220) 9.534 6.783 ( 6.476 -1.699 4.234) 7.922 7.060 ( -6.132 3.809 -5.264) 8.934 7.286 ( -4.373 -0.199 -3.532) 5.624 7.519 ( 4.914 -11.752 -0.092) 12.738 7.709 ( 6.919 -1.870 -4.495) 8.460 8.203 ( -4.669 1.494 8.326) 9.662 8.426 ( 5.726 1.504 -2.667) 6.493 8.807 ( -2.194 5.946 -7.375) 9.725 9.040 ( -4.847 -4.256 -4.025) 7.603 9.473 ( -2.511 4.472 1.140) 5.254 9.794 ( -1.661 1.585 7.786) 8.118 10.091 ( 0.743 -4.755 5.051) 6.977 11.496 ( -6.015 3.013 2.475) 7.168 11.853 ( -6.776 -4.347 1.593) 8.206 12.951 ( 6.280 -4.729 -0.674) 7.890 13.651 ( -0.214 5.717 1.183) 5.842 13.889 ( 2.915 2.774 -0.674) 4.080 14.116 ( 0.537 -0.475 0.712) 1.011 16.688 ( -5.432 -0.700 5.306) 7.626 17.226 ( 4.914 4.810 -13.107) 14.801 17.473 ( -2.008 -5.343 9.874) 11.405 17.684 ( -16.148 -5.654 1.239) 17.154 20.133 ( 13.485 5.014 -4.142) 14.972 22.601 ( 0.916 1.562 2.875) 3.398 ======================= Grid point 225 (97/336) ======================= q-point: (-0.27 -0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 3.237 0.000 -6.580) 7.333 2.576 ( -19.387 -0.000 -3.241) 19.656 2.747 ( -11.500 -0.000 17.154) 20.652 3.438 ( -1.819 -0.000 -4.775) 5.109 4.071 ( 12.440 0.000 2.952) 12.785 4.611 ( -0.514 -0.000 3.413) 3.452 4.948 ( 0.014 0.000 -11.310) 11.310 5.148 ( 13.838 0.000 -9.136) 16.581 5.186 ( -10.117 -0.000 -4.577) 11.105 5.743 ( 1.176 0.000 -3.838) 4.015 6.338 ( -2.498 -0.000 7.311) 7.726 6.527 ( 9.005 0.000 -0.501) 9.019 6.795 ( -1.210 -0.000 -1.257) 1.745 7.056 ( 2.401 0.000 1.347) 2.753 7.262 ( 1.761 0.000 -0.119) 1.765 7.438 ( -4.004 -0.000 -8.379) 9.286 7.657 ( 1.784 0.000 -8.196) 8.388 8.230 ( -1.062 -0.000 8.008) 8.078 8.312 ( 9.925 0.000 -6.653) 11.949 8.917 ( -2.778 -0.000 5.840) 6.468 9.149 ( -9.401 -0.000 -3.577) 10.059 9.536 ( 1.303 0.000 2.856) 3.139 9.898 ( 0.551 0.000 0.379) 0.669 9.916 ( -1.140 -0.000 5.092) 5.218 11.674 ( -6.720 -0.000 6.877) 9.616 11.919 ( -13.093 -0.000 -1.133) 13.142 12.709 ( 10.266 0.000 -0.512) 10.278 13.749 ( 0.571 0.000 2.061) 2.139 13.900 ( 2.052 0.000 -1.580) 2.590 14.060 ( 2.473 0.000 1.099) 2.706 16.662 ( -6.518 -0.000 13.239) 14.757 17.233 ( 8.534 0.000 -13.203) 15.721 17.441 ( -6.999 -0.000 16.735) 18.140 18.049 ( -22.768 -0.000 -15.276) 27.418 19.869 ( 23.893 0.000 -0.640) 23.902 22.588 ( 1.529 0.000 2.629) 3.042 ======================= Grid point 226 (98/336) ======================= q-point: (-0.18 -0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -3.810 3.328 -5.273) 7.307 2.235 ( -22.056 -3.964 -1.894) 22.489 2.651 ( -10.812 1.681 15.764) 19.189 3.274 ( -14.586 -3.427 -10.237) 18.146 4.337 ( 17.306 2.312 3.628) 17.833 4.609 ( 0.748 4.239 0.191) 4.309 4.877 ( -1.582 -6.143 -13.880) 15.261 5.035 ( -2.743 3.435 -1.380) 4.607 5.331 ( 10.764 -7.121 -11.680) 17.407 5.757 ( 3.474 -0.165 -2.019) 4.021 6.311 ( -2.112 5.343 6.447) 8.635 6.675 ( 9.158 2.202 -2.785) 9.822 6.775 ( 3.676 3.478 0.796) 5.123 7.073 ( -3.609 -3.286 0.639) 4.923 7.250 ( -9.865 -2.537 -10.888) 14.910 7.362 ( 7.339 -2.922 1.716) 8.084 7.701 ( 5.961 0.154 -4.119) 7.247 8.228 ( -5.441 0.872 9.420) 10.914 8.434 ( 9.009 -0.156 -5.084) 10.345 8.892 ( -1.405 2.856 -2.304) 3.929 8.979 ( -7.683 -2.097 -6.524) 10.295 9.533 ( -1.946 1.670 2.308) 3.450 9.860 ( -1.353 5.269 4.079) 6.800 9.983 ( -0.797 -6.369 5.558) 8.490 11.580 ( -6.538 4.940 4.848) 9.521 11.759 ( -9.420 -5.004 2.006) 10.853 12.866 ( 8.057 -2.953 -0.690) 8.609 13.745 ( -0.673 3.246 2.124) 3.937 13.931 ( 3.235 1.324 -1.014) 3.639 14.102 ( 1.668 -0.686 -0.078) 1.806 16.642 ( -6.691 -2.396 11.242) 13.300 17.281 ( 8.358 1.298 -14.636) 16.905 17.432 ( -6.715 -0.362 14.566) 16.043 17.624 ( -19.688 -1.202 -9.572) 21.924 20.196 ( 18.384 1.722 -2.552) 18.640 22.623 ( 0.591 0.614 3.641) 3.740 ======================= Grid point 227 (99/336) ======================= q-point: (-0.09 -0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -14.632 4.562 -4.074) 15.859 1.933 ( -23.368 -9.434 -0.996) 25.220 2.582 ( -5.644 4.500 13.823) 15.594 2.946 ( -25.091 -9.861 -8.904) 28.391 4.403 ( 0.261 11.145 -7.612) 13.499 4.718 ( 13.884 -0.902 0.687) 13.930 4.892 ( -1.358 -13.598 -2.226) 13.846 5.012 ( 7.212 7.581 -4.209) 11.278 5.445 ( 4.576 -7.348 -13.128) 15.725 5.859 ( 9.459 0.679 1.662) 9.628 6.259 ( -0.109 9.062 4.954) 10.328 6.705 ( 5.979 8.418 -1.432) 10.424 6.908 ( 9.592 -2.246 -0.230) 9.854 6.938 ( -8.627 4.300 -6.028) 11.369 7.151 ( -3.762 -7.168 -3.341) 8.757 7.539 ( 5.923 -7.526 2.752) 9.965 7.768 ( 5.445 -0.816 -4.920) 7.384 8.152 ( -9.920 1.542 10.533) 14.551 8.531 ( 6.978 1.748 -3.170) 7.861 8.756 ( -4.354 3.341 -9.825) 11.254 8.886 ( -4.335 -2.253 -7.964) 9.344 9.500 ( -1.030 3.030 4.176) 5.261 9.824 ( -1.208 2.161 3.945) 4.658 10.065 ( -1.334 -6.642 6.188) 9.175 11.461 ( -5.059 4.695 3.828) 7.893 11.705 ( -6.819 -5.784 3.090) 9.461 13.009 ( 6.054 -3.343 -0.627) 6.944 13.702 ( -0.815 4.624 1.738) 5.007 13.957 ( 2.510 2.249 -0.879) 3.483 14.121 ( 0.593 -0.150 -0.752) 0.969 16.604 ( -7.102 -0.753 5.030) 8.735 17.251 ( -4.114 2.151 -7.678) 8.972 17.362 ( -2.116 -6.243 -10.792) 12.646 17.468 ( -6.417 -5.432 13.619) 16.005 20.383 ( 12.474 7.684 -2.974) 14.950 22.638 ( -0.644 1.036 3.937) 4.121 ======================= Grid point 237 (100/336) ======================= q-point: (-0.18 -0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -15.889 -0.000 0.742) 15.906 1.818 ( -25.527 -0.000 0.296) 25.529 2.623 ( -4.394 -0.000 9.334) 10.317 2.850 ( -26.611 -0.000 -7.789) 27.728 4.619 ( -8.148 -0.000 -16.500) 18.402 4.653 ( 8.811 0.000 4.579) 9.930 4.708 ( 12.088 0.000 2.171) 12.282 5.104 ( 7.593 0.000 -4.462) 8.807 5.352 ( 5.570 0.000 -13.193) 14.320 5.865 ( 10.475 0.000 1.534) 10.586 6.359 ( -0.425 -0.000 6.858) 6.871 6.852 ( 11.339 0.000 -1.218) 11.404 6.859 ( 4.967 0.000 -0.624) 5.007 6.997 ( -10.617 -0.000 -10.237) 14.748 7.006 ( -1.647 -0.000 -1.934) 2.541 7.469 ( 5.307 0.000 3.005) 6.099 7.766 ( 5.148 0.000 -4.456) 6.808 8.168 ( -9.881 -0.000 11.489) 15.153 8.547 ( 8.038 0.000 -4.253) 9.093 8.770 ( -8.293 -0.000 -11.439) 14.129 8.881 ( -0.725 -0.000 -5.511) 5.558 9.530 ( -1.763 -0.000 4.254) 4.605 9.880 ( -0.483 -0.000 -4.415) 4.442 9.964 ( -2.923 -0.000 12.854) 13.182 11.565 ( -4.137 -0.000 6.273) 7.514 11.594 ( -8.347 -0.000 3.527) 9.061 12.968 ( 6.862 0.000 -0.948) 6.928 13.755 ( -1.853 -0.000 2.440) 3.063 13.980 ( 2.551 0.000 -1.647) 3.036 14.117 ( 1.362 0.000 -1.515) 2.038 16.584 ( -6.619 -0.000 8.888) 11.081 17.257 ( -17.357 -0.000 -7.121) 18.761 17.329 ( 7.681 0.000 -15.417) 17.224 17.413 ( -6.361 -0.000 13.395) 14.829 20.458 ( 14.829 0.000 -2.681) 15.069 22.648 ( -0.867 -0.000 4.255) 4.343 ======================= Grid point 238 (101/336) ======================= q-point: (-0.09 -0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -23.594 4.605 6.219) 24.831 1.443 ( -27.272 -6.485 1.469) 28.071 2.267 ( -34.839 -11.036 -10.416) 38.000 2.713 ( -0.595 6.636 17.061) 18.315 4.380 ( -3.919 5.868 -13.070) 14.853 4.778 ( 2.325 -7.866 2.952) 8.718 4.940 ( 9.566 -0.316 -2.934) 10.011 5.192 ( 10.716 5.501 -4.888) 13.000 5.398 ( 7.283 -5.340 -10.128) 13.570 6.087 ( 14.092 1.761 5.750) 15.321 6.359 ( -1.810 5.524 6.538) 8.749 6.762 ( -6.075 2.678 -12.261) 13.943 6.886 ( 3.286 7.169 2.302) 8.216 7.027 ( 0.589 -7.456 -2.014) 7.746 7.066 ( 11.945 -2.154 -2.048) 12.309 7.561 ( 1.749 -4.652 1.541) 5.203 7.814 ( 5.256 0.113 -6.242) 8.161 8.065 ( -11.110 1.597 13.828) 17.810 8.565 ( -6.242 -1.976 -5.815) 8.757 8.659 ( 5.929 -0.155 -7.691) 9.712 8.788 ( -4.629 3.441 -7.786) 9.690 9.522 ( -2.682 0.837 4.893) 5.643 9.849 ( 2.147 1.284 -2.737) 3.708 10.018 ( -2.597 -4.999 8.841) 10.483 11.460 ( -5.120 5.420 4.869) 8.905 11.585 ( -4.365 -4.576 5.010) 8.068 13.071 ( 5.585 -1.988 -1.684) 6.163 13.723 ( -2.050 1.885 2.189) 3.542 13.979 ( -0.398 0.880 -2.701) 2.869 14.134 ( 2.038 0.217 -1.383) 2.472 16.526 ( -5.531 0.518 3.382) 6.503 17.001 ( -13.572 -4.903 -1.287) 14.488 17.333 ( 5.172 -0.416 -18.081) 18.811 17.407 ( -5.448 -3.758 10.626) 12.519 20.632 ( 11.769 6.433 -0.695) 13.430 22.646 ( -2.205 0.472 4.216) 4.781 ======================= Grid point 249 (102/336) ======================= q-point: (-0.09 -0.09 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -25.533 -0.000 15.912) 30.085 1.006 ( -27.960 -0.000 9.623) 29.570 1.517 ( -43.337 -0.000 -1.685) 43.369 2.890 ( 3.821 0.000 11.368) 11.993 4.296 ( 0.560 0.000 -7.944) 7.963 4.807 ( 2.920 0.000 2.995) 4.183 4.977 ( 0.687 0.000 -6.820) 6.855 5.375 ( 12.118 0.000 -4.739) 13.012 5.483 ( 11.232 0.000 -6.027) 12.746 6.354 ( -6.537 -0.000 6.074) 8.923 6.377 ( 12.864 0.000 10.701) 16.733 6.616 ( -4.342 -0.000 -10.110) 11.003 6.914 ( 0.097 0.000 -4.940) 4.941 7.107 ( 7.988 0.000 3.956) 8.914 7.209 ( 9.781 0.000 -5.874) 11.409 7.541 ( -0.533 -0.000 0.547) 0.764 7.876 ( 7.462 0.000 -6.000) 9.576 8.018 ( -7.455 -0.000 19.906) 21.257 8.404 ( -5.818 -0.000 -4.294) 7.231 8.654 ( -8.998 -0.000 -7.842) 11.936 8.727 ( 5.510 0.000 -4.636) 7.200 9.485 ( -5.091 -0.000 4.042) 6.500 9.897 ( 5.762 0.000 -4.177) 7.116 10.001 ( -3.186 -0.000 7.448) 8.101 11.420 ( -5.608 -0.000 2.897) 6.312 11.557 ( -2.006 -0.000 5.241) 5.612 13.122 ( 3.660 0.000 -3.268) 4.906 13.701 ( -2.763 -0.000 1.997) 3.409 13.945 ( -1.435 -0.000 -3.065) 3.384 14.164 ( 2.243 0.000 -1.303) 2.594 16.476 ( -2.761 -0.000 0.713) 2.851 16.774 ( -11.202 -0.000 1.242) 11.270 17.221 ( -3.349 -0.000 -25.277) 25.497 17.354 ( -5.634 -0.000 6.557) 8.645 20.879 ( 14.173 0.000 3.166) 14.523 22.629 ( -3.145 -0.000 3.893) 5.004 ======================= Grid point 250 (103/336) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -5.522 -0.000 23.671) 24.307 1.147 ( 13.956 0.000 25.781) 29.316 1.942 ( -8.258 -0.000 35.816) 36.756 2.112 ( -13.713 -0.000 10.630) 17.351 4.497 ( -2.818 -0.000 -14.027) 14.307 4.550 ( 8.469 0.000 1.409) 8.586 5.194 ( 5.726 0.000 6.138) 8.394 5.586 ( 6.627 0.000 -5.951) 8.907 5.593 ( 8.593 0.000 -5.390) 10.144 6.099 ( -9.876 -0.000 -3.635) 10.524 6.361 ( -12.890 -0.000 -1.871) 13.025 6.610 ( 6.620 0.000 5.402) 8.544 7.031 ( 2.765 0.000 -6.302) 6.882 7.284 ( -0.655 -0.000 -1.382) 1.530 7.319 ( 10.501 0.000 3.613) 11.105 7.667 ( -2.589 -0.000 2.838) 3.841 7.788 ( -16.964 -0.000 2.865) 17.204 8.245 ( 0.746 0.000 -6.988) 7.027 8.359 ( 6.822 0.000 3.125) 7.504 8.853 ( 12.482 0.000 -4.647) 13.319 8.856 ( 4.578 0.000 8.410) 9.575 9.542 ( 2.754 0.000 2.697) 3.855 9.793 ( -11.722 -0.000 -6.939) 13.622 9.932 ( 0.363 0.000 -2.187) 2.217 11.239 ( -4.165 -0.000 -3.688) 5.563 11.286 ( 1.568 0.000 0.927) 1.821 13.223 ( 0.713 0.000 -6.966) 7.002 13.691 ( -1.413 -0.000 2.062) 2.500 13.904 ( -0.251 -0.000 -1.295) 1.319 14.434 ( 1.638 0.000 8.408) 8.566 16.495 ( -9.526 -0.000 -0.187) 9.528 16.518 ( 7.564 0.000 0.205) 7.567 16.990 ( 29.338 0.000 0.904) 29.351 17.217 ( -8.116 -0.000 -0.419) 8.127 20.931 ( -10.476 -0.000 0.115) 10.477 22.554 ( -3.535 -0.000 0.411) 3.559 ======================= Grid point 251 (104/336) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 7.849 -16.234 20.445) 27.260 1.661 ( 24.265 -4.881 22.427) 33.400 1.837 ( -6.865 -0.881 4.924) 8.494 2.330 ( 7.719 -1.696 35.993) 36.850 4.387 ( -1.881 -3.108 -13.846) 14.315 4.682 ( 6.390 0.432 3.352) 7.229 5.282 ( 0.270 0.829 4.958) 5.034 5.597 ( 5.384 7.818 -6.215) 11.347 5.707 ( 6.918 -1.558 -4.790) 8.558 5.879 ( -10.718 5.507 -2.786) 12.368 6.191 ( -9.898 -4.843 1.197) 11.084 6.734 ( 5.133 2.934 4.691) 7.547 7.016 ( -0.564 -0.401 -4.465) 4.518 7.236 ( -0.660 5.249 -6.118) 8.088 7.401 ( -1.672 0.892 3.062) 3.601 7.574 ( -10.733 0.009 2.398) 10.998 7.651 ( -1.146 -1.619 6.596) 6.888 8.202 ( 1.147 1.832 -11.361) 11.565 8.416 ( -1.417 1.367 3.836) 4.312 8.930 ( 8.267 7.782 0.356) 11.359 9.038 ( 4.641 -4.126 6.705) 9.140 9.592 ( 0.193 2.327 -2.818) 3.659 9.641 ( -1.064 -2.756 0.530) 3.002 9.909 ( -2.605 -3.351 -2.729) 5.046 11.219 ( -0.363 -7.635 -4.401) 8.820 11.403 ( 8.329 -3.547 1.631) 9.199 13.119 ( -5.799 1.990 -6.972) 9.285 13.689 ( -0.233 0.493 2.036) 2.108 13.889 ( -0.559 -0.239 -2.324) 2.402 14.427 ( -3.871 5.138 7.880) 10.173 16.370 ( -8.245 -5.513 -2.235) 10.168 16.702 ( 13.326 -0.561 2.115) 13.505 17.094 ( -6.875 -5.498 -3.981) 9.662 17.569 ( 34.051 -5.273 -6.328) 35.033 20.683 ( -15.243 9.157 6.409) 18.902 22.505 ( -2.634 0.116 -0.531) 2.689 ======================= Grid point 252 (105/336) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 7.828 -8.078 10.259) 15.224 1.855 ( 3.509 -8.315 6.260) 10.984 2.170 ( 13.594 -6.003 21.968) 26.522 2.764 ( 19.896 -4.861 22.830) 30.671 4.325 ( -0.714 -4.982 -12.396) 13.379 4.778 ( 4.096 1.717 1.793) 4.790 5.193 ( -11.901 3.135 1.300) 12.376 5.567 ( 6.760 10.132 -7.197) 14.147 5.665 ( -7.316 6.245 4.823) 10.760 5.773 ( 3.037 -0.682 -6.963) 7.627 6.157 ( -4.315 -8.137 4.408) 10.211 6.731 ( -2.078 7.407 0.721) 7.727 6.933 ( -6.094 5.216 -3.134) 8.612 7.124 ( -0.130 1.448 -6.848) 7.000 7.376 ( -4.962 -5.704 -5.725) 9.483 7.482 ( 0.761 6.846 8.742) 11.130 7.717 ( 1.468 -0.672 7.511) 7.683 8.116 ( 0.756 2.784 -12.219) 12.554 8.386 ( -2.880 0.664 3.630) 4.681 8.881 ( -4.442 1.818 -8.751) 9.980 9.217 ( 5.297 -4.247 9.409) 11.603 9.565 ( 2.730 6.796 0.717) 7.359 9.694 ( 0.937 -1.882 4.130) 4.635 9.907 ( -0.043 -5.339 -2.223) 5.784 11.307 ( 3.925 -8.975 -2.483) 10.105 11.602 ( 7.126 -6.874 5.338) 11.248 12.955 ( -5.875 2.067 -7.742) 9.936 13.693 ( 0.190 1.688 2.134) 2.728 13.857 ( -1.540 -0.066 -3.122) 3.482 14.345 ( -4.554 5.800 5.485) 9.190 16.307 ( -5.101 -7.882 -3.292) 9.949 16.960 ( 14.390 0.836 2.944) 14.712 17.042 ( -2.845 -9.390 -5.394) 11.196 18.043 ( 21.293 -5.410 -0.572) 21.977 20.381 ( -12.321 13.773 2.706) 18.677 22.461 ( -2.064 -0.202 -1.415) 2.511 ======================= Grid point 253 (106/336) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.579 2.954 -4.918) 5.766 2.195 ( 12.113 -12.850 12.823) 21.824 2.493 ( 4.526 -5.801 22.180) 23.368 3.248 ( 18.792 -5.734 9.463) 21.808 4.307 ( 0.715 -4.518 -8.403) 9.567 4.766 ( -2.079 4.457 -3.751) 6.186 4.914 ( -16.519 3.731 -1.224) 16.979 5.525 ( 6.094 8.130 -9.089) 13.632 5.604 ( -1.722 4.496 11.394) 12.370 5.746 ( -1.414 0.432 -5.077) 5.288 6.223 ( -1.687 -8.021 3.356) 8.857 6.551 ( -6.813 10.913 -3.675) 13.380 6.764 ( -4.320 5.382 -0.767) 6.944 7.094 ( -0.893 -1.946 -6.999) 7.319 7.303 ( -3.293 -5.454 -11.468) 13.118 7.511 ( 3.765 8.817 8.621) 12.893 7.808 ( 4.274 1.759 9.380) 10.456 8.052 ( 2.414 1.351 -10.134) 10.504 8.366 ( -2.040 -0.800 2.656) 3.443 8.718 ( -7.679 -3.048 -10.931) 13.702 9.344 ( -1.346 -4.917 6.346) 8.140 9.523 ( -0.721 7.072 0.276) 7.114 9.752 ( 1.442 -2.396 2.216) 3.568 9.992 ( 5.514 -1.672 4.362) 7.227 11.456 ( 5.341 -6.781 -0.254) 8.636 11.809 ( 3.376 -8.118 10.390) 13.611 12.823 ( -1.817 0.591 -9.408) 9.600 13.679 ( -0.638 3.456 1.790) 3.944 13.810 ( -1.915 -0.302 -3.147) 3.696 14.250 ( -4.154 4.310 2.913) 6.657 16.317 ( -1.363 -9.770 -3.810) 10.575 16.991 ( -3.921 -8.602 -6.932) 11.723 17.278 ( 17.315 1.415 4.551) 17.959 18.356 ( 8.326 -4.008 11.221) 14.536 20.067 ( -8.507 14.599 -6.283) 18.027 22.434 ( -0.558 -1.153 -1.692) 2.122 ======================= Grid point 254 (107/336) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -0.438 3.854 -9.301) 10.078 2.534 ( 8.699 -6.904 9.456) 14.586 2.713 ( 0.647 -5.699 18.999) 19.846 3.520 ( 5.820 -2.822 0.087) 6.468 4.317 ( 0.194 1.130 0.149) 1.157 4.607 ( -6.943 3.517 -4.814) 9.151 4.649 ( -9.951 -1.408 -8.106) 12.912 5.492 ( 5.110 9.372 -6.916) 12.719 5.597 ( 0.025 5.676 -1.686) 5.921 5.711 ( -2.571 -2.599 7.249) 8.119 6.201 ( -8.302 -0.854 -2.464) 8.702 6.376 ( 0.351 4.644 -4.993) 6.828 6.717 ( 1.947 2.777 3.869) 5.145 7.029 ( -4.887 -3.668 -7.388) 9.588 7.235 ( -0.818 -3.095 -12.396) 12.803 7.549 ( 4.146 5.129 5.480) 8.575 7.884 ( 3.568 7.794 3.524) 9.268 8.070 ( 6.292 -0.268 -1.961) 6.596 8.366 ( -1.520 -2.205 1.998) 3.341 8.587 ( -6.158 -6.306 -9.312) 12.822 9.357 ( -5.252 0.154 5.515) 7.617 9.412 ( -4.573 -0.496 -6.252) 7.762 9.813 ( 1.915 -1.613 2.012) 3.212 10.141 ( 6.546 1.449 9.793) 11.868 11.569 ( 1.914 -2.858 1.703) 3.838 11.963 ( -1.079 -5.804 10.846) 12.349 12.789 ( 3.258 -2.673 -8.575) 9.555 13.635 ( -1.154 3.969 1.120) 4.282 13.769 ( -0.981 -0.228 -2.999) 3.163 14.178 ( -2.847 1.634 1.703) 3.698 16.394 ( 1.355 -11.209 -3.977) 11.970 16.965 ( -3.913 -8.534 -7.267) 11.872 17.545 ( 15.897 6.040 5.814) 17.972 18.504 ( -5.062 1.158 21.400) 22.021 19.793 ( -1.900 8.853 -15.538) 17.984 22.451 ( 1.635 -2.322 -1.028) 3.020 ======================= Grid point 255 (108/336) ======================= q-point: (-0.55 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.255 1.909 -10.899) 11.067 2.670 ( -1.223 1.783 4.675) 5.150 2.836 ( -5.055 -4.235 15.921) 17.233 3.514 ( -4.601 -0.404 -5.011) 6.815 4.245 ( -5.509 4.291 2.308) 7.355 4.475 ( -0.487 2.552 -6.405) 6.912 4.595 ( 1.154 -8.922 -5.591) 10.592 5.410 ( -0.676 10.075 -2.894) 10.504 5.508 ( 3.183 7.070 -11.776) 14.099 5.742 ( -1.698 -0.139 5.375) 5.638 6.065 ( -6.506 -2.824 -1.458) 7.240 6.364 ( 3.226 0.612 -3.280) 4.642 6.777 ( 6.253 3.968 -0.176) 7.408 6.926 ( -9.113 -7.651 -5.702) 13.195 7.209 ( 1.805 -2.844 -6.955) 7.728 7.610 ( 4.297 2.258 2.931) 5.670 7.843 ( 3.387 10.935 -1.482) 11.543 8.199 ( 8.228 1.225 2.923) 8.817 8.374 ( -2.916 -3.380 2.717) 5.226 8.521 ( -4.005 -7.727 -8.194) 11.953 9.191 ( -7.231 4.305 -9.405) 12.621 9.400 ( -3.525 -5.960 5.191) 8.654 9.858 ( 1.362 -0.233 0.939) 1.671 10.269 ( 3.693 2.815 10.802) 11.758 11.586 ( -3.026 -0.005 3.439) 4.581 12.006 ( -4.132 -1.536 6.287) 7.678 12.855 ( 4.334 -4.969 -4.299) 7.872 13.600 ( 0.264 2.578 1.167) 2.842 13.757 ( 1.678 -0.835 -3.485) 3.957 14.148 ( -1.779 -0.379 1.681) 2.477 16.502 ( 0.898 -11.555 -4.085) 12.288 16.941 ( -2.541 -6.874 -6.386) 9.721 17.732 ( 12.052 10.602 6.787) 17.428 18.401 ( -16.945 9.943 20.851) 28.649 19.704 ( 6.598 -2.875 -16.256) 17.778 22.513 ( 3.087 -3.004 0.151) 4.310 ======================= Grid point 256 (109/336) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -1.141 -2.253 -8.083) 8.469 2.506 ( -14.126 9.036 0.097) 16.769 2.817 ( -10.857 -1.845 12.955) 17.003 3.371 ( -8.151 3.207 -3.216) 9.331 4.139 ( -4.104 -1.374 -6.059) 7.446 4.503 ( 6.773 -2.132 -2.639) 7.576 4.699 ( 5.046 -5.854 -1.607) 7.894 5.269 ( -0.986 12.228 -2.013) 12.432 5.422 ( 3.133 7.276 -12.109) 14.470 5.752 ( 2.813 0.131 -0.527) 2.865 6.043 ( -2.735 -7.279 2.523) 8.175 6.421 ( 4.674 -2.764 -2.397) 5.935 6.746 ( -5.362 -3.819 -13.021) 14.590 6.903 ( 4.000 0.068 2.699) 4.826 7.239 ( -0.005 -2.693 -0.258) 2.705 7.668 ( 3.083 1.579 1.616) 3.822 7.802 ( 6.186 11.821 -1.595) 13.436 8.304 ( 1.111 1.077 3.475) 3.804 8.369 ( -1.145 -3.794 0.786) 4.040 8.496 ( -2.052 -7.401 -7.808) 10.953 8.980 ( -6.401 3.577 -9.733) 12.186 9.453 ( -0.624 -4.992 6.237) 8.013 9.867 ( 0.370 1.301 -1.316) 1.887 10.329 ( -0.159 3.602 9.341) 10.012 11.539 ( -5.113 0.169 4.879) 7.069 11.945 ( -6.967 1.092 3.362) 7.812 12.942 ( 2.890 -4.286 -1.321) 5.335 13.616 ( 2.339 0.451 1.455) 2.791 13.799 ( 4.440 -1.750 -3.832) 6.120 14.139 ( -1.610 -0.842 1.647) 2.452 16.556 ( -3.946 -9.575 -4.381) 11.245 16.957 ( 1.723 -5.725 -4.666) 7.584 17.803 ( 6.154 15.502 5.716) 17.631 18.087 ( -19.834 11.879 14.852) 27.478 19.831 ( 10.566 -10.275 -11.116) 18.460 22.594 ( 2.764 -2.828 1.043) 4.089 ======================= Grid point 257 (110/336) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -6.149 -6.519 0.219) 8.964 2.096 ( -23.198 10.599 -0.676) 25.514 2.724 ( -8.761 0.172 7.776) 11.716 3.131 ( -15.161 9.937 4.780) 18.747 4.075 ( -1.090 -4.368 -9.747) 10.736 4.649 ( 7.705 -5.712 -3.516) 10.216 4.835 ( 6.945 -4.048 -2.135) 8.317 5.152 ( 2.425 13.738 0.819) 13.974 5.337 ( 3.716 6.141 -11.283) 13.373 5.859 ( 9.455 -2.776 0.973) 9.903 6.135 ( 1.156 -9.825 3.850) 10.615 6.528 ( 5.787 -4.584 -4.523) 8.658 6.615 ( -6.573 -7.761 -11.175) 15.110 7.006 ( 8.444 3.342 0.233) 9.084 7.223 ( -3.520 1.008 1.891) 4.121 7.696 ( 1.443 1.622 1.155) 2.459 7.790 ( 6.147 10.829 -2.166) 12.639 8.251 ( -9.643 -5.103 4.284) 11.721 8.428 ( 3.373 -2.773 -5.454) 6.987 8.497 ( 0.721 -4.000 -4.578) 6.122 8.817 ( -3.842 4.323 -4.577) 7.376 9.541 ( 1.119 -3.865 6.617) 7.744 9.830 ( 0.114 3.115 -4.708) 5.647 10.314 ( -3.343 4.010 7.282) 8.960 11.497 ( -4.786 -1.545 5.979) 7.813 11.820 ( -9.124 1.019 3.228) 9.732 13.010 ( 2.398 -2.557 -0.837) 3.604 13.674 ( 3.375 -0.473 1.657) 3.789 13.868 ( 4.553 -1.625 -4.163) 6.379 14.127 ( -1.548 -0.341 1.209) 1.994 16.512 ( -6.762 -6.524 -4.005) 10.214 17.028 ( 3.025 -4.729 -4.087) 6.944 17.612 ( -11.583 17.973 2.745) 21.557 17.869 ( -5.686 9.839 12.448) 16.855 20.067 ( 12.088 -12.714 -8.151) 19.344 22.657 ( 1.040 -2.090 1.334) 2.689 ======================= Grid point 258 (111/336) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -16.591 -8.068 5.307) 19.197 1.646 ( -21.288 8.816 11.756) 25.867 2.548 ( -14.059 15.301 1.193) 20.814 2.837 ( -15.932 0.101 12.497) 20.248 4.074 ( 3.248 -3.965 -8.058) 9.549 4.784 ( 5.081 -5.109 -3.490) 8.006 4.938 ( 6.244 3.033 -6.499) 9.509 5.115 ( 4.820 4.662 0.843) 6.759 5.322 ( 8.531 4.745 -7.983) 12.610 6.119 ( 14.172 -6.693 5.068) 16.472 6.272 ( -0.044 -10.551 2.593) 10.865 6.497 ( -1.908 -2.904 -9.194) 9.828 6.707 ( 6.924 -10.166 -3.222) 12.715 7.037 ( 0.517 6.339 -5.600) 8.474 7.195 ( 2.916 2.773 2.814) 4.910 7.698 ( 0.666 4.013 0.501) 4.098 7.766 ( 4.882 7.102 -2.329) 8.927 8.190 ( -9.400 -8.141 6.838) 14.191 8.428 ( -2.530 -5.318 -7.589) 9.606 8.556 ( 6.106 -0.070 -2.278) 6.518 8.712 ( -2.654 5.214 0.811) 5.906 9.610 ( -2.542 -1.770 6.675) 7.359 9.785 ( 4.672 3.709 -7.237) 9.379 10.244 ( -5.336 3.848 5.545) 8.604 11.474 ( -5.259 -2.648 4.116) 7.184 11.695 ( -8.860 -1.090 5.025) 10.244 13.058 ( 2.705 -0.748 -1.963) 3.425 13.737 ( 2.522 0.107 1.582) 2.979 13.908 ( 2.303 -0.014 -3.752) 4.402 14.119 ( 0.002 -0.228 0.632) 0.672 16.440 ( -5.456 -4.682 -3.248) 7.889 17.042 ( -2.766 -0.842 -5.286) 6.025 17.289 ( -9.820 13.838 2.089) 17.096 17.750 ( -6.158 10.885 9.114) 15.475 20.348 ( 13.198 -13.417 -6.461) 19.898 22.680 ( -1.037 -1.349 1.210) 2.088 ======================= Grid point 259 (112/336) ======================= q-point: (-0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -24.656 -6.271 8.089) 26.696 1.472 ( -11.837 7.262 29.323) 32.445 2.051 ( -24.328 23.809 15.034) 37.212 2.723 ( -13.526 -9.385 -0.726) 16.479 4.169 ( 8.817 -3.031 -2.700) 9.706 4.828 ( 0.960 5.494 -10.588) 11.967 4.925 ( 4.959 1.510 0.776) 5.241 5.252 ( 10.141 -5.388 -3.084) 11.891 5.404 ( 10.189 2.684 -5.399) 11.839 6.303 ( -6.157 -9.215 -0.875) 11.117 6.407 ( 3.410 -6.210 -0.175) 7.086 6.549 ( 9.875 -3.798 4.664) 11.562 6.855 ( 1.914 1.504 -4.675) 5.271 6.969 ( 5.588 -4.675 -4.288) 8.454 7.227 ( 4.020 4.298 -3.068) 6.637 7.664 ( 3.446 7.713 0.233) 8.451 7.834 ( 8.021 1.085 2.016) 8.342 8.188 ( -7.269 -10.575 7.389) 14.808 8.365 ( -4.997 -3.037 -5.992) 8.372 8.632 ( -0.791 3.914 3.346) 5.210 8.655 ( 5.014 1.039 0.378) 5.134 9.566 ( -4.372 1.471 2.146) 5.087 9.838 ( 7.425 1.764 -3.407) 8.358 10.142 ( -6.755 2.913 3.386) 8.098 11.406 ( -7.588 -2.843 -0.148) 8.105 11.614 ( -7.455 -0.275 4.108) 8.516 13.094 ( 4.031 0.352 -2.839) 4.943 13.754 ( -0.950 1.100 0.833) 1.675 13.911 ( 1.741 1.713 -1.561) 2.898 14.153 ( 2.753 -1.281 2.024) 3.649 16.400 ( -1.811 -3.428 -2.511) 4.619 16.890 ( -8.026 4.312 -2.904) 9.563 17.049 ( -7.708 12.856 -2.505) 15.198 17.579 ( -8.857 9.109 6.181) 14.129 20.660 ( 13.562 -14.132 -5.166) 20.257 22.665 ( -2.899 -0.860 0.833) 3.136 ======================= Grid point 260 (113/336) ======================= q-point: (-0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -12.065 -8.749 21.572) 26.219 1.234 ( -17.705 25.194 20.358) 36.914 1.790 ( -9.771 4.679 41.909) 43.286 2.475 ( -23.012 -5.013 -8.017) 24.879 4.363 ( 10.905 -3.894 -0.147) 11.580 4.665 ( -1.923 7.528 -13.674) 15.728 5.050 ( 6.580 -1.379 4.961) 8.355 5.444 ( 9.760 -5.218 -5.464) 12.343 5.511 ( 9.189 1.780 -5.048) 10.634 6.238 ( -8.308 -5.268 -3.155) 10.331 6.475 ( 1.215 -4.316 2.086) 4.945 6.590 ( -8.178 2.510 -0.679) 8.582 6.959 ( 10.693 -1.393 1.194) 10.850 7.114 ( 10.051 -1.342 -4.628) 11.147 7.258 ( 3.488 -2.357 -1.487) 4.464 7.664 ( 2.594 4.973 2.267) 6.050 7.961 ( -0.361 0.620 3.976) 4.040 8.223 ( -0.300 -8.117 -0.487) 8.137 8.284 ( -2.143 -1.086 -3.930) 4.606 8.650 ( 5.073 -1.466 4.685) 7.059 8.760 ( 6.489 1.523 3.772) 7.659 9.517 ( -0.892 1.150 1.635) 2.189 9.909 ( 4.595 1.165 -2.145) 5.203 10.005 ( -9.157 1.474 -1.351) 9.373 11.311 ( -6.231 -3.027 -1.453) 7.078 11.442 ( -9.911 7.869 -2.281) 12.859 13.170 ( 6.826 -1.404 -3.242) 7.686 13.716 ( -2.579 0.857 1.555) 3.131 13.913 ( 0.864 1.253 -0.916) 1.777 14.277 ( 6.588 -3.232 7.445) 10.453 16.423 ( 3.313 -1.745 -1.666) 4.098 16.737 ( -12.430 10.647 -1.307) 16.419 16.764 ( 2.094 8.082 2.022) 8.591 17.385 ( -10.046 4.968 2.997) 11.601 20.932 ( 6.371 -11.356 -5.609) 14.178 22.615 ( -4.307 -0.344 0.540) 4.354 ======================= Grid point 262 (114/336) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 18.261 0.000 19.201) 26.498 1.786 ( -1.077 -0.000 1.538) 1.877 2.115 ( 15.609 0.000 20.913) 26.096 2.722 ( 18.775 0.000 24.969) 31.240 4.273 ( 0.047 0.000 -13.249) 13.249 4.796 ( 4.545 0.000 2.376) 5.128 5.220 ( -11.273 -0.000 1.924) 11.436 5.693 ( 4.982 0.000 -3.865) 6.306 5.707 ( -5.210 -0.000 -9.552) 10.881 5.786 ( 1.461 0.000 2.989) 3.327 6.053 ( -5.652 -0.000 3.712) 6.762 6.819 ( -0.385 -0.000 2.346) 2.378 6.943 ( -4.553 -0.000 -2.696) 5.291 7.233 ( 1.593 0.000 -10.503) 10.623 7.241 ( -11.863 -0.000 -4.596) 12.722 7.564 ( 1.783 0.000 13.969) 14.082 7.704 ( 1.156 0.000 7.743) 7.829 8.151 ( 1.226 0.000 -14.427) 14.479 8.387 ( -5.067 -0.000 4.137) 6.542 8.902 ( -7.129 -0.000 -12.254) 14.177 9.166 ( 5.266 0.000 9.190) 10.592 9.672 ( 0.513 0.000 4.160) 4.191 9.691 ( 10.722 0.000 3.976) 11.436 9.804 ( -4.503 -0.000 -4.326) 6.244 11.215 ( 6.731 0.000 -2.793) 7.287 11.535 ( 7.393 0.000 4.822) 8.827 12.973 ( -7.515 -0.000 -6.624) 10.018 13.709 ( 0.695 0.000 2.119) 2.230 13.860 ( -0.902 -0.000 -3.824) 3.929 14.406 ( -6.314 -0.000 5.715) 8.516 16.219 ( -4.886 -0.000 -3.617) 6.079 16.950 ( -4.537 -0.000 -5.368) 7.029 16.975 ( 18.213 0.000 4.215) 18.694 17.987 ( 23.208 0.000 -1.969) 23.291 20.517 ( -14.127 -0.000 2.972) 14.436 22.459 ( -2.337 -0.000 -1.580) 2.821 ======================= Grid point 263 (115/336) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 2.300 5.080 -2.518) 6.119 1.974 ( 17.157 -9.393 14.214) 24.179 2.422 ( 5.758 -1.849 23.166) 23.943 3.175 ( 20.169 -1.917 11.443) 23.268 4.231 ( 2.253 -2.564 -10.860) 11.384 4.822 ( -0.578 1.506 -4.652) 4.924 4.970 ( -18.636 1.716 1.016) 18.743 5.595 ( -1.899 0.998 -0.467) 2.196 5.716 ( 1.988 2.992 -1.974) 4.099 5.794 ( 0.857 6.193 -1.198) 6.366 6.063 ( -1.413 -8.035 4.240) 9.195 6.733 ( -5.778 7.198 -1.769) 9.398 6.829 ( -8.068 1.612 -0.546) 8.245 7.033 ( -8.357 -4.047 -6.648) 11.419 7.233 ( 4.508 -1.577 -12.650) 13.522 7.678 ( 2.814 8.230 11.609) 14.506 7.793 ( 3.398 -3.581 12.001) 12.976 8.083 ( 2.889 1.473 -14.418) 14.779 8.335 ( -4.940 -1.660 3.565) 6.314 8.683 ( -8.810 -0.824 -13.665) 16.280 9.270 ( -0.130 -2.382 5.858) 6.325 9.656 ( -4.685 5.523 -0.990) 7.310 9.713 ( 1.924 -1.144 -0.501) 2.294 9.943 ( 10.144 -2.905 7.875) 13.166 11.370 ( 10.869 -2.279 0.097) 11.106 11.689 ( 3.891 -3.811 9.410) 10.872 12.822 ( -5.310 -0.261 -7.952) 9.566 13.729 ( 0.703 1.465 2.248) 2.774 13.813 ( -1.385 0.355 -4.472) 4.695 14.312 ( -6.903 1.938 2.843) 7.713 16.168 ( -1.575 -4.840 -4.030) 6.492 16.874 ( -2.768 -3.219 -6.269) 7.571 17.321 ( 21.629 1.829 5.438) 22.377 18.288 ( 10.827 -2.443 7.989) 13.675 20.265 ( -13.130 5.766 -4.931) 15.165 22.419 ( -1.103 -0.418 -2.135) 2.439 ======================= Grid point 264 (116/336) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.174 5.456 -7.645) 9.393 2.400 ( 15.037 -6.840 11.647) 20.212 2.635 ( 1.578 -2.651 21.290) 21.513 3.472 ( 8.469 -1.871 1.222) 8.759 4.265 ( 4.678 -4.433 -6.901) 9.443 4.645 ( -19.085 2.059 0.776) 19.211 4.695 ( -5.436 2.833 -10.954) 12.553 5.615 ( 5.093 2.028 -2.879) 6.192 5.667 ( -5.857 -0.509 -2.941) 6.573 5.737 ( 1.761 9.719 8.107) 12.779 6.139 ( -1.896 -5.955 0.575) 6.276 6.509 ( -6.066 8.701 -6.302) 12.338 6.732 ( -3.463 -0.688 3.614) 5.053 6.927 ( -7.534 -7.097 -8.014) 13.090 7.240 ( 6.568 2.617 -14.059) 15.736 7.662 ( -0.474 6.633 6.494) 9.295 7.973 ( 4.976 1.339 10.101) 11.339 8.065 ( 5.630 -0.172 -6.890) 8.900 8.306 ( -3.494 -3.452 1.648) 5.180 8.504 ( -5.941 -2.450 -10.148) 12.012 9.289 ( -4.014 -3.841 4.118) 6.915 9.485 ( -6.939 4.379 -7.690) 11.245 9.781 ( 3.309 -1.487 1.954) 4.120 10.161 ( 8.232 0.565 10.593) 13.427 11.553 ( 8.636 0.991 2.210) 8.969 11.838 ( 0.317 -6.811 11.859) 13.680 12.726 ( -1.974 -3.137 -8.883) 9.625 13.717 ( -0.016 3.988 0.298) 3.999 13.773 ( -0.382 0.300 -2.496) 2.543 14.202 ( -5.937 0.902 0.829) 6.062 16.204 ( 1.292 -8.075 -3.869) 9.047 16.837 ( -1.863 -4.738 -6.380) 8.162 17.674 ( 22.143 6.550 5.882) 23.829 18.479 ( -0.183 -2.862 18.227) 18.451 19.943 ( -11.825 6.349 -13.805) 19.254 22.415 ( 1.244 -1.343 -1.742) 2.527 ======================= Grid point 265 (117/336) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.077 5.969 -10.471) 12.053 2.683 ( 7.374 -0.585 7.169) 10.301 2.772 ( -2.865 -2.458 18.026) 18.417 3.496 ( -4.258 -0.927 -4.558) 6.306 4.321 ( -6.371 3.179 0.034) 7.120 4.407 ( -2.822 -8.260 -5.686) 10.417 4.529 ( -2.328 1.079 -9.295) 9.643 5.539 ( -6.594 0.351 -3.538) 7.491 5.625 ( 6.154 7.869 -8.324) 13.004 5.756 ( -1.210 3.442 11.117) 11.701 6.069 ( -5.955 1.693 -3.344) 7.036 6.391 ( 1.249 1.938 -5.613) 6.068 6.779 ( 1.590 -3.996 6.892) 8.124 6.806 ( -7.672 -5.122 -9.862) 13.504 7.224 ( 6.013 4.781 -11.834) 14.108 7.655 ( 1.182 2.403 3.532) 4.432 7.993 ( 2.961 5.133 -3.287) 6.776 8.203 ( 5.406 -2.752 5.268) 8.034 8.310 ( -0.966 -2.246 3.240) 4.059 8.411 ( -2.987 -3.017 -6.826) 8.039 9.228 ( -8.754 -2.266 -11.554) 14.672 9.333 ( -2.699 0.818 5.714) 6.372 9.850 ( 2.915 -0.464 0.777) 3.052 10.316 ( 4.431 2.034 10.620) 11.686 11.625 ( 0.750 3.949 4.551) 6.072 11.953 ( -0.652 -4.076 7.647) 8.690 12.714 ( -0.595 -8.478 -6.488) 10.693 13.684 ( 1.503 5.077 0.349) 5.306 13.756 ( 0.973 0.677 -2.427) 2.700 14.130 ( -3.768 -1.352 0.695) 4.063 16.298 ( 2.287 -9.454 -3.516) 10.343 16.824 ( -1.050 -5.255 -5.617) 7.763 17.953 ( 18.326 12.296 6.446) 22.991 18.525 ( -11.108 2.783 22.500) 25.246 19.660 ( -5.652 -1.473 -18.888) 19.771 22.463 ( 3.275 -2.218 -0.542) 3.993 ======================= Grid point 266 (118/336) ======================= q-point: (-0.55 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.532 5.076 -11.002) 12.129 2.682 ( -7.203 9.047 0.395) 11.571 2.788 ( -8.947 -0.892 15.347) 17.787 3.382 ( -6.296 -1.440 -2.817) 7.046 4.141 ( -6.925 1.064 -5.519) 8.919 4.426 ( 1.288 -5.510 -6.669) 8.746 4.589 ( 6.529 -6.207 -1.559) 9.142 5.423 ( -3.975 1.238 -3.632) 5.525 5.569 ( 2.931 10.905 -5.285) 12.468 5.752 ( 0.067 0.328 0.443) 0.555 5.977 ( -2.241 0.144 0.587) 2.321 6.388 ( 1.406 -1.331 -3.537) 4.032 6.657 ( -6.096 -3.534 -13.539) 15.263 6.913 ( 4.534 -2.119 8.289) 9.683 7.217 ( 4.130 2.300 -6.431) 7.982 7.688 ( 2.373 0.418 1.032) 2.621 7.975 ( 3.633 6.068 -2.336) 7.448 8.262 ( -5.269 -5.508 1.015) 7.690 8.362 ( 1.225 0.995 -3.561) 3.895 8.387 ( 3.280 -1.600 2.495) 4.421 9.017 ( -7.749 -0.119 -11.712) 14.044 9.376 ( 0.278 -2.804 7.607) 8.112 9.888 ( 1.993 0.929 -0.993) 2.412 10.389 ( 0.193 2.747 8.717) 9.142 11.584 ( -3.782 4.237 5.536) 7.932 11.960 ( -4.221 0.853 2.053) 4.770 12.778 ( -0.621 -11.992 -2.295) 12.226 13.679 ( 3.063 5.054 1.824) 6.185 13.779 ( 4.339 -0.365 -3.450) 5.555 14.108 ( -2.328 -2.296 1.353) 3.539 16.385 ( 0.015 -8.175 -3.322) 8.824 16.844 ( 1.111 -5.896 -3.976) 7.198 18.098 ( 10.343 15.272 7.966) 20.092 18.316 ( -18.629 12.170 13.339) 25.944 19.617 ( 3.908 -12.311 -13.162) 18.441 22.544 ( 3.510 -2.472 0.684) 4.347 ======================= Grid point 267 (119/336) ======================= q-point: (-0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -0.466 3.560 -7.450) 8.270 2.328 ( -19.834 13.361 -2.431) 24.038 2.718 ( -9.992 0.423 13.057) 16.448 3.272 ( -7.888 4.062 2.348) 9.178 4.029 ( -1.662 -0.891 -8.021) 8.240 4.513 ( 5.051 -8.241 -4.770) 10.779 4.741 ( 5.827 -6.381 -2.200) 8.917 5.356 ( 0.914 2.778 -3.029) 4.211 5.463 ( 0.878 11.437 -4.263) 12.238 5.800 ( 5.360 -2.985 -1.004) 6.217 6.002 ( 1.617 -3.924 2.598) 4.976 6.406 ( -2.042 -7.215 -3.382) 8.226 6.537 ( -0.026 -0.493 -12.753) 12.763 7.058 ( 7.226 0.535 5.824) 9.296 7.214 ( -0.657 0.164 -2.278) 2.376 7.721 ( 1.996 0.934 -0.545) 2.270 7.963 ( 2.215 4.884 -0.986) 5.453 8.181 ( -7.658 -0.512 -0.379) 7.685 8.343 ( -0.990 -4.939 -8.094) 9.533 8.475 ( 4.472 0.777 2.528) 5.196 8.871 ( -3.734 0.841 -5.091) 6.369 9.470 ( 1.637 -3.439 7.642) 8.538 9.885 ( 1.653 2.680 -3.675) 4.839 10.381 ( -3.241 3.090 6.292) 7.723 11.519 ( -3.879 3.250 6.190) 7.995 11.843 ( -8.587 1.907 -0.142) 8.798 12.875 ( -0.024 -10.951 -0.224) 10.954 13.712 ( 4.397 3.315 1.787) 5.789 13.847 ( 5.757 -0.281 -3.134) 6.561 14.104 ( -1.801 -1.896 1.484) 3.007 16.401 ( -3.138 -5.049 -2.866) 6.600 16.920 ( 2.900 -6.481 -2.460) 7.515 17.930 ( -19.230 14.010 5.526) 24.426 18.104 ( 3.049 16.080 7.408) 17.965 19.802 ( 9.196 -15.327 -7.609) 19.426 22.617 ( 1.899 -2.067 1.329) 3.106 ======================= Grid point 268 (120/336) ======================= q-point: (-0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -4.975 3.382 -2.454) 6.498 1.866 ( -19.807 14.089 6.585) 25.183 2.631 ( -9.482 -0.390 9.308) 13.293 3.032 ( -15.621 14.045 7.452) 22.289 4.015 ( 3.678 -2.162 -6.181) 7.511 4.656 ( 5.368 -8.314 -3.054) 10.356 4.870 ( 5.818 -6.987 -5.050) 10.401 5.322 ( 1.018 13.701 -1.341) 13.804 5.380 ( 4.728 0.338 -7.136) 8.567 5.976 ( 9.000 -7.829 1.935) 12.085 6.106 ( 2.403 -6.432 2.344) 7.255 6.396 ( -2.391 -7.768 -7.938) 11.361 6.567 ( 7.689 -3.791 -4.488) 9.677 7.137 ( -2.582 3.719 -5.278) 6.954 7.207 ( 5.194 -0.596 5.317) 7.457 7.725 ( 0.755 1.485 -0.618) 1.777 7.941 ( 0.638 3.905 0.044) 3.957 8.060 ( -6.464 -0.683 -0.851) 6.555 8.321 ( -2.299 -5.808 -7.069) 9.434 8.555 ( 5.009 0.166 0.693) 5.059 8.798 ( -2.264 2.903 0.440) 3.708 9.564 ( -0.514 -2.952 7.905) 8.454 9.860 ( 3.946 4.074 -6.457) 8.594 10.312 ( -5.489 3.239 4.448) 7.772 11.480 ( -2.220 2.810 5.410) 6.488 11.678 ( -10.150 -0.149 1.369) 10.243 12.971 ( 1.058 -7.931 -0.349) 8.009 13.763 ( 3.207 1.503 0.441) 3.569 13.917 ( 5.305 1.388 -2.031) 5.848 14.103 ( -1.032 -1.361 0.914) 1.937 16.366 ( -3.315 -2.834 -1.727) 4.691 16.992 ( 0.329 -4.361 -2.609) 5.093 17.552 ( -13.467 13.433 1.769) 19.103 17.998 ( -3.028 14.937 6.465) 16.555 20.071 ( 10.689 -15.542 -5.627) 19.684 22.653 ( -0.477 -1.460 1.372) 2.059 ======================= Grid point 269 (121/336) ======================= q-point: (-0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -9.929 8.664 0.379) 13.183 1.622 ( -8.671 9.996 27.099) 30.158 2.487 ( -11.745 11.441 3.532) 16.772 2.638 ( -22.060 10.006 12.916) 27.452 4.110 ( 7.866 -2.901 -1.704) 8.555 4.795 ( 4.925 -5.798 -0.313) 7.614 4.992 ( 5.917 -3.433 -9.671) 11.846 5.204 ( 1.623 5.911 -3.967) 7.301 5.445 ( 7.442 0.379 -5.397) 9.201 6.114 ( -4.935 -9.450 1.433) 10.757 6.282 ( 9.006 -6.878 -1.588) 11.443 6.440 ( 4.852 -7.282 -1.069) 8.815 6.767 ( 11.340 -7.766 -0.801) 13.767 6.986 ( -6.532 3.084 -5.684) 9.191 7.303 ( 5.457 3.106 -1.266) 6.406 7.725 ( 0.364 0.451 1.134) 1.274 7.929 ( 3.247 3.462 0.676) 4.794 7.998 ( -5.648 -4.764 2.848) 7.919 8.289 ( -2.588 -4.476 -6.588) 8.374 8.640 ( 4.416 -0.237 1.147) 4.569 8.736 ( -2.447 3.789 3.354) 5.621 9.581 ( -3.798 -0.121 5.501) 6.686 9.883 ( 7.332 2.988 -5.289) 9.522 10.201 ( -7.366 3.059 2.475) 8.351 11.419 ( -3.401 4.414 -0.523) 5.597 11.587 ( -5.619 -2.258 7.268) 9.460 13.052 ( 2.437 -4.758 -1.831) 5.651 13.772 ( -0.897 0.222 -1.325) 1.616 13.963 ( 4.319 3.939 -0.670) 5.884 14.118 ( 0.673 -2.249 0.964) 2.538 16.345 ( -0.767 -1.865 -0.374) 2.051 16.952 ( -4.472 1.367 -3.212) 5.673 17.288 ( -5.970 12.080 -0.006) 13.474 17.817 ( -5.581 14.806 3.379) 16.180 20.354 ( 8.821 -17.131 -4.077) 19.695 22.647 ( -2.623 -1.020 1.053) 3.005 ======================= Grid point 270 (122/336) ======================= q-point: (-0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 4.729 12.496 13.866) 19.256 1.628 ( -4.999 13.300 31.073) 34.167 2.063 ( -16.954 26.055 21.022) 37.527 2.369 ( -20.107 -4.215 2.997) 20.761 4.284 ( 9.061 -3.847 1.899) 10.026 4.835 ( 0.230 7.917 -12.771) 15.028 5.004 ( 5.032 -2.798 1.808) 6.034 5.298 ( 7.294 -9.139 -5.192) 12.794 5.536 ( 7.712 -0.005 -4.795) 9.081 6.086 ( -8.577 -8.889 -1.350) 12.426 6.395 ( 3.061 -3.694 -1.076) 4.917 6.602 ( -0.074 -2.876 1.458) 3.225 6.888 ( 1.466 -4.855 -3.508) 6.166 7.027 ( 11.500 -6.817 1.322) 13.434 7.302 ( 3.006 5.475 -5.645) 8.419 7.728 ( -1.790 0.731 1.897) 2.708 7.952 ( -10.417 -7.550 1.643) 12.970 8.049 ( 12.126 -1.327 4.170) 12.892 8.249 ( -0.925 -2.433 -6.703) 7.191 8.637 ( -4.474 0.029 3.610) 5.749 8.789 ( 7.556 1.288 5.605) 9.496 9.548 ( -1.705 1.696 3.320) 4.099 9.945 ( 5.581 2.232 -3.177) 6.799 10.043 ( -9.824 2.394 -1.352) 10.201 11.332 ( -0.440 4.685 -0.825) 4.778 11.556 ( -4.104 3.655 3.635) 6.589 13.122 ( 3.854 -3.585 -4.057) 6.645 13.727 ( -3.175 -0.158 -0.595) 3.234 13.963 ( 1.132 4.022 -1.402) 4.407 14.193 ( 2.561 -4.880 4.573) 7.161 16.382 ( 3.271 -1.727 0.830) 3.791 16.839 ( -4.048 4.576 -1.309) 6.248 17.098 ( 1.709 16.650 -3.114) 17.025 17.586 ( -6.354 15.820 -0.734) 17.064 20.606 ( 1.833 -20.283 -1.434) 20.416 22.605 ( -3.922 -0.643 0.685) 4.033 ======================= Grid point 271 (123/336) ======================= q-point: (-0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 21.592 14.111 18.994) 32.033 1.398 ( -8.276 27.184 19.843) 34.658 1.965 ( -11.134 2.787 30.735) 32.808 2.126 ( -8.550 2.383 15.351) 17.732 4.457 ( 4.980 -2.889 0.117) 5.758 4.644 ( 0.263 8.194 -12.605) 15.037 5.168 ( 6.184 -2.889 6.357) 9.327 5.463 ( 6.233 -9.577 -6.726) 13.259 5.628 ( 7.112 0.108 -4.179) 8.250 5.999 ( -10.167 -8.045 -2.995) 13.306 6.390 ( -7.803 2.062 -1.307) 8.176 6.596 ( 3.746 -1.051 4.027) 5.599 6.997 ( 2.721 -6.285 -3.242) 7.577 7.233 ( 3.899 -3.586 -5.297) 7.491 7.296 ( 5.026 -1.084 3.510) 6.226 7.674 ( -5.085 0.183 2.617) 5.722 7.795 ( -13.327 -0.094 1.015) 13.366 8.225 ( 0.922 -1.880 -8.293) 8.553 8.325 ( 9.909 -3.789 3.035) 11.035 8.669 ( 3.870 -8.644 5.804) 11.107 8.941 ( 7.669 2.403 5.707) 9.857 9.552 ( 1.750 1.131 2.611) 3.341 9.823 ( -11.085 2.732 -5.766) 12.791 9.964 ( 1.370 2.443 -2.735) 3.915 11.323 ( 4.700 4.601 0.722) 6.616 11.399 ( -4.566 12.475 -3.483) 13.733 13.175 ( 0.790 -4.411 -6.919) 8.243 13.689 ( -1.994 -0.527 1.567) 2.590 13.922 ( -0.925 2.148 -1.297) 2.674 14.333 ( 1.010 -8.343 8.039) 11.630 16.483 ( 4.315 -1.932 1.981) 5.126 16.651 ( -6.937 10.055 -2.571) 12.484 17.157 ( 26.558 13.059 -2.945) 29.741 17.323 ( -6.471 13.860 -3.447) 15.679 20.734 ( -9.827 -18.431 3.019) 21.104 22.551 ( -3.472 -0.287 0.385) 3.505 ======================= Grid point 274 (124/336) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.444 -0.000 -6.846) 6.860 2.323 ( 18.396 0.000 12.671) 22.337 2.611 ( 1.913 0.000 22.055) 22.138 3.455 ( 9.627 0.000 1.662) 9.769 4.216 ( 4.602 0.000 -8.463) 9.634 4.669 ( -20.207 -0.000 2.443) 20.354 4.721 ( -5.477 -0.000 -12.915) 14.028 5.627 ( 3.939 0.000 1.589) 4.247 5.660 ( -6.710 -0.000 -2.279) 7.086 5.893 ( 3.371 0.000 3.903) 5.158 6.027 ( -0.040 -0.000 2.234) 2.235 6.667 ( -12.005 -0.000 -1.936) 12.160 6.671 ( -4.694 -0.000 -4.046) 6.197 6.838 ( -4.480 -0.000 -6.488) 7.885 7.273 ( 8.789 0.000 -13.063) 15.744 7.747 ( -4.067 -0.000 5.951) 7.208 7.961 ( 6.143 0.000 16.199) 17.324 8.069 ( 5.220 0.000 -13.723) 14.682 8.267 ( -3.909 -0.000 2.449) 4.613 8.486 ( -5.328 -0.000 -9.569) 10.953 9.250 ( -3.981 -0.000 3.028) 5.002 9.531 ( -7.959 -0.000 -8.039) 11.312 9.766 ( 4.035 0.000 2.045) 4.524 10.165 ( 9.317 0.000 10.815) 14.274 11.577 ( 13.906 0.000 2.098) 14.063 11.756 ( -1.656 -0.000 12.513) 12.622 12.694 ( -4.139 -0.000 -8.528) 9.479 13.765 ( 0.686 0.000 2.768) 2.852 13.769 ( -0.299 -0.000 -5.223) 5.231 14.211 ( -7.365 -0.000 0.357) 7.374 16.124 ( 1.681 0.000 -3.392) 3.786 16.793 ( -1.202 -0.000 -6.032) 6.151 17.745 ( 25.061 0.000 5.759) 25.714 18.443 ( 0.716 0.000 16.615) 16.630 20.006 ( -15.363 -0.000 -12.930) 20.080 22.403 ( 1.103 0.000 -2.006) 2.289 ======================= Grid point 275 (125/336) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.457 3.425 -9.178) 9.807 2.659 ( 13.294 -1.277 8.716) 15.948 2.744 ( -1.926 -0.689 19.530) 19.637 3.489 ( -3.639 0.006 -4.799) 6.023 4.271 ( 4.786 -3.809 -6.832) 9.170 4.383 ( -15.476 1.564 3.635) 15.974 4.537 ( -5.061 -0.069 -15.476) 16.283 5.516 ( -9.824 -1.202 -0.585) 9.915 5.698 ( 5.614 1.024 -3.563) 6.727 5.906 ( 0.419 9.920 5.216) 11.215 6.053 ( -2.882 -4.553 -0.305) 5.397 6.456 ( -4.097 5.385 -3.776) 7.749 6.641 ( -2.773 -8.343 -2.315) 9.091 6.762 ( -1.804 -0.619 -5.258) 5.593 7.326 ( 9.132 3.965 -12.483) 15.967 7.693 ( -4.078 1.334 3.909) 5.804 8.058 ( 2.153 2.479 -2.568) 4.168 8.116 ( 1.552 -4.487 1.219) 4.902 8.269 ( 1.682 -1.818 1.281) 2.788 8.415 ( 0.723 1.384 0.718) 1.718 9.168 ( -7.486 -2.259 -6.893) 10.424 9.371 ( -5.272 1.532 -0.354) 5.501 9.844 ( 4.249 -0.154 0.486) 4.280 10.342 ( 4.874 0.677 10.278) 11.395 11.723 ( 0.221 6.022 8.325) 10.277 11.857 ( 6.006 -5.835 6.384) 10.529 12.589 ( -4.817 -3.896 -7.996) 10.116 13.748 ( 2.570 1.313 -4.252) 5.139 13.782 ( 0.050 1.620 2.442) 2.931 14.106 ( -5.331 -0.856 -0.492) 5.422 16.171 ( 3.794 -3.637 -2.392) 5.774 16.755 ( -0.516 -1.938 -5.309) 5.675 18.155 ( 24.480 7.623 5.345) 26.191 18.514 ( -7.769 -2.527 22.270) 23.721 19.648 ( -15.443 -0.065 -18.837) 24.358 22.434 ( 3.394 -0.810 -0.954) 3.617 ======================= Grid point 276 (126/336) ======================= q-point: (-0.64 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 1.178 5.761 -10.789) 12.287 2.772 ( -8.839 0.269 13.877) 16.455 2.832 ( 3.700 5.157 4.800) 7.958 3.344 ( -8.556 -1.933 -3.778) 9.551 4.160 ( -9.716 0.466 -0.889) 9.767 4.339 ( 1.991 -2.505 -11.185) 11.634 4.466 ( 3.150 -6.589 -5.320) 9.035 5.382 ( -8.932 -3.277 0.170) 9.515 5.744 ( 6.727 3.612 -6.361) 9.938 5.798 ( -3.792 6.540 -1.223) 7.658 6.004 ( -3.970 1.276 0.760) 4.239 6.385 ( -0.371 2.306 -1.272) 2.660 6.626 ( -0.305 -0.936 -12.823) 12.860 6.805 ( 1.917 -7.778 7.480) 10.960 7.329 ( 6.516 7.999 -8.916) 13.636 7.671 ( -0.991 -2.467 1.034) 2.852 8.040 ( -0.712 1.752 -0.557) 1.971 8.159 ( 0.032 -4.935 -3.317) 5.947 8.316 ( 2.224 -1.689 -3.655) 4.600 8.467 ( 3.750 4.845 9.124) 10.990 8.980 ( -9.005 -3.014 -13.043) 16.134 9.351 ( -0.439 -0.267 7.129) 7.148 9.903 ( 3.490 0.656 -1.226) 3.756 10.428 ( 0.179 1.394 8.288) 8.406 11.669 ( -6.345 3.914 9.237) 11.870 11.993 ( 3.998 3.095 0.466) 5.078 12.542 ( -4.091 -11.880 -4.483) 13.341 13.768 ( 0.800 3.851 2.767) 4.809 13.782 ( 4.901 0.563 -3.816) 6.237 14.062 ( -2.256 -2.267 0.483) 3.235 16.264 ( 3.618 -4.551 -1.478) 5.999 16.751 ( 0.407 -3.745 -3.872) 5.402 18.342 ( -2.977 9.744 16.750) 19.605 18.529 ( 3.221 10.157 5.908) 12.184 19.389 ( -5.933 -11.201 -15.986) 20.401 22.506 ( 4.097 -1.418 0.424) 4.356 ======================= Grid point 277 (127/336) ======================= q-point: (-0.55 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 3.335 7.516 -10.345) 13.215 2.551 ( -17.836 8.877 -0.357) 19.926 2.775 ( -6.684 6.674 10.960) 14.469 3.279 ( -3.937 -3.041 2.455) 5.547 4.031 ( -3.023 1.006 -5.223) 6.118 4.364 ( 3.841 -7.079 -7.517) 11.017 4.592 ( 4.448 -9.139 -3.895) 10.885 5.302 ( -5.961 -5.661 -0.284) 8.225 5.693 ( 1.588 9.109 -3.540) 9.901 5.775 ( 4.348 1.873 -4.038) 6.223 5.958 ( -1.083 -2.328 0.163) 2.573 6.344 ( -2.185 2.101 0.493) 3.071 6.556 ( 3.272 1.819 -14.218) 14.702 6.976 ( 2.314 -8.341 9.568) 12.903 7.289 ( 2.787 7.000 -5.056) 9.073 7.706 ( 1.877 -3.209 -2.139) 4.289 7.981 ( -5.925 0.015 0.617) 5.957 8.183 ( 1.514 -3.104 -5.139) 6.192 8.312 ( 0.722 2.899 -6.193) 6.876 8.515 ( 1.797 3.535 6.186) 7.348 8.843 ( -4.004 -3.598 -6.251) 8.250 9.419 ( 1.238 -2.001 8.182) 8.513 9.929 ( 3.053 1.979 -3.220) 4.858 10.427 ( -3.513 1.821 5.868) 7.078 11.583 ( -6.707 2.744 8.916) 11.490 11.919 ( -4.609 6.872 -3.657) 9.046 12.634 ( 0.821 -14.214 -0.601) 14.250 13.765 ( 1.112 2.218 1.856) 3.098 13.857 ( 6.814 0.815 -2.335) 7.249 14.068 ( -0.407 -1.662 1.241) 2.114 16.331 ( 1.114 -2.387 -0.770) 2.745 16.799 ( 2.058 -6.035 -1.855) 6.640 18.127 ( -20.700 7.795 11.685) 25.015 18.449 ( 3.331 19.483 -1.175) 19.800 19.500 ( 8.323 -16.795 -6.849) 19.957 22.583 ( 2.725 -1.463 1.357) 3.377 ======================= Grid point 278 (128/336) ======================= q-point: (-0.45 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 3.779 9.864 -7.722) 13.084 2.139 ( -18.052 14.010 3.563) 23.127 2.660 ( -9.752 4.259 12.213) 16.199 3.218 ( -6.879 4.965 4.253) 9.490 3.993 ( 2.729 -0.168 -4.420) 5.197 4.488 ( 5.537 -9.210 -3.538) 11.314 4.712 ( 3.318 -9.659 -5.392) 11.548 5.300 ( -1.712 -8.097 -1.759) 8.461 5.582 ( 0.178 13.111 -4.844) 13.978 5.855 ( 6.780 -4.787 -1.589) 8.450 6.021 ( 3.397 -4.196 0.816) 5.460 6.301 ( -0.008 0.469 -2.503) 2.546 6.540 ( 4.984 0.110 -8.468) 9.826 7.107 ( -2.921 -6.007 4.716) 8.177 7.249 ( 3.741 4.309 -1.164) 5.824 7.747 ( 2.737 -0.676 -3.985) 4.881 7.875 ( -8.353 -3.021 1.018) 8.941 8.200 ( 3.847 4.156 -4.965) 7.531 8.215 ( -4.211 -0.584 -6.160) 7.485 8.565 ( 3.479 0.889 3.352) 4.912 8.809 ( -2.358 -1.607 -0.216) 2.862 9.508 ( 0.148 -2.825 8.503) 8.961 9.931 ( 3.988 3.350 -5.420) 7.516 10.362 ( -5.806 2.120 4.119) 7.428 11.528 ( -4.692 1.003 9.824) 10.933 11.729 ( -7.142 6.404 -3.895) 10.353 12.788 ( 3.232 -11.072 -0.037) 11.534 13.776 ( 0.165 0.187 0.621) 0.669 13.946 ( 6.299 0.659 -1.332) 6.472 14.085 ( 0.788 0.157 0.773) 1.115 16.341 ( -0.438 0.136 0.349) 0.577 16.888 ( 1.628 -6.452 -0.552) 6.677 17.775 ( -15.877 10.208 2.679) 19.065 18.285 ( -4.132 15.209 3.481) 16.140 19.783 ( 11.485 -14.899 -5.616) 19.632 22.629 ( 0.194 -1.134 1.558) 1.936 ======================= Grid point 279 (129/336) ======================= q-point: (-0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 3.155 14.665 -4.526) 15.669 1.850 ( -8.443 13.826 19.689) 25.497 2.527 ( -11.942 2.431 10.620) 16.165 2.992 ( -12.347 16.990 6.043) 21.855 4.067 ( 6.883 -1.671 -0.354) 7.092 4.656 ( 5.998 -8.618 0.482) 10.511 4.829 ( 4.377 -10.771 -7.179) 13.664 5.363 ( 1.239 -8.775 -3.772) 9.632 5.407 ( -2.064 11.885 -7.415) 14.159 5.995 ( 1.741 -3.361 1.021) 3.920 6.154 ( 9.444 -6.906 -1.978) 11.866 6.322 ( 3.254 -3.324 -3.177) 5.633 6.631 ( 6.704 -6.041 -1.666) 9.177 7.025 ( -7.110 0.612 -3.891) 8.129 7.328 ( 4.573 -0.282 2.380) 5.163 7.744 ( -0.127 1.953 -1.130) 2.260 7.818 ( -4.760 -6.351 -0.523) 7.954 8.106 ( -0.946 5.085 -1.602) 5.415 8.214 ( 1.659 -1.667 -6.146) 6.580 8.640 ( 3.755 0.184 2.642) 4.596 8.771 ( -3.830 0.131 2.651) 4.660 9.562 ( -2.430 -1.800 7.591) 8.171 9.944 ( 6.047 3.256 -5.933) 9.075 10.253 ( -7.687 2.457 2.358) 8.408 11.537 ( -1.978 -0.582 11.078) 11.268 11.552 ( -4.133 6.760 -2.542) 8.321 12.933 ( 4.284 -7.450 -1.048) 8.658 13.761 ( -2.743 -1.106 -0.642) 3.026 14.025 ( 4.743 0.405 -0.611) 4.799 14.093 ( 0.989 1.490 -0.729) 1.931 16.339 ( 0.661 1.225 1.981) 2.421 16.934 ( -1.579 -3.102 -0.689) 3.548 17.501 ( -6.936 10.615 0.500) 12.690 18.086 ( -6.291 13.268 3.476) 15.090 20.050 ( 8.344 -14.918 -6.111) 18.153 22.629 ( -2.205 -0.812 1.224) 2.649 ======================= Grid point 280 (130/336) ======================= q-point: (-0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 12.155 18.398 5.237) 22.664 1.833 ( -0.564 11.014 30.989) 32.893 2.347 ( -15.772 2.019 8.952) 18.248 2.603 ( -13.682 27.771 8.966) 32.230 4.223 ( 8.152 -2.783 3.402) 9.262 4.844 ( 6.829 -5.716 3.346) 9.513 4.944 ( 3.765 -8.063 -11.327) 14.404 5.230 ( -1.093 5.645 -7.052) 9.099 5.454 ( 1.754 -9.687 -4.331) 10.755 5.988 ( -3.232 -0.464 -0.910) 3.390 6.335 ( 6.372 -3.160 -3.601) 7.972 6.468 ( 7.238 -9.792 1.348) 12.252 6.771 ( -2.892 -9.396 -1.739) 9.984 6.932 ( 3.321 -1.487 -1.634) 3.989 7.380 ( 1.992 1.594 -2.170) 3.350 7.715 ( -3.277 -1.167 1.752) 3.895 7.801 ( -2.856 -4.911 -2.892) 6.374 8.095 ( 3.602 1.526 2.409) 4.594 8.214 ( 2.069 -0.043 -6.017) 6.363 8.643 ( -5.183 0.503 2.005) 5.580 8.802 ( 5.312 0.102 7.475) 9.171 9.568 ( -1.969 0.241 5.599) 5.940 9.981 ( 4.449 1.566 -5.140) 6.976 10.097 ( -8.759 3.288 -0.450) 9.367 11.452 ( 0.964 7.113 -0.574) 7.201 11.593 ( 0.366 1.242 10.175) 10.257 13.044 ( 3.871 -4.624 -3.617) 7.032 13.707 ( -4.563 -1.736 -0.575) 4.916 14.053 ( 1.350 5.068 -2.338) 5.742 14.106 ( 0.690 -4.256 0.934) 4.412 16.375 ( 3.280 1.102 3.640) 5.022 16.897 ( -3.127 1.338 -0.536) 3.443 17.353 ( 1.819 11.771 -1.017) 11.954 17.886 ( -3.936 14.258 -0.131) 14.792 20.245 ( 0.744 -17.514 -4.464) 18.089 22.594 ( -3.536 -0.585 0.736) 3.659 ======================= Grid point 281 (131/336) ======================= q-point: (-0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 23.370 15.236 12.235) 30.463 1.896 ( -1.897 18.728 24.016) 30.514 2.061 ( -19.275 7.426 12.823) 24.312 2.295 ( -1.473 19.939 18.874) 27.495 4.400 ( 6.369 -3.221 4.665) 8.526 4.812 ( -1.293 8.265 -15.769) 17.850 5.085 ( 7.406 -5.790 6.425) 11.386 5.260 ( 3.316 -10.470 -5.231) 12.164 5.544 ( 0.982 -10.092 -3.900) 10.864 5.912 ( -4.357 0.390 -3.023) 5.317 6.410 ( 0.559 -0.219 -0.971) 1.142 6.574 ( -1.171 -2.106 2.093) 3.191 6.813 ( 2.575 -11.446 -3.103) 12.135 7.080 ( 2.167 -10.768 1.411) 11.075 7.349 ( 1.325 3.872 -4.389) 6.001 7.662 ( -6.062 -1.626 0.828) 6.331 7.773 ( -3.536 -1.679 -1.791) 4.305 8.169 ( 1.378 -3.825 -8.339) 9.277 8.269 ( 8.329 -0.861 3.280) 8.993 8.591 ( -1.487 -0.588 7.756) 7.919 8.963 ( 7.434 0.141 8.250) 11.106 9.579 ( 0.847 1.341 3.795) 4.113 9.871 ( -10.595 1.993 -4.928) 11.854 10.014 ( 2.080 3.024 -3.449) 5.037 11.434 ( 4.055 6.904 1.060) 8.077 11.606 ( 0.526 8.566 4.070) 9.499 13.088 ( 0.308 -4.366 -7.220) 8.443 13.664 ( -2.827 -2.078 1.371) 3.767 13.984 ( -1.815 4.238 -2.216) 5.115 14.184 ( 0.324 -7.109 4.070) 8.198 16.463 ( 4.559 0.278 5.174) 6.902 16.792 ( -4.998 5.170 -2.031) 7.473 17.361 ( 11.952 10.394 -0.965) 15.869 17.684 ( 2.435 19.095 -7.357) 20.607 20.349 ( -8.384 -20.685 1.171) 22.350 22.545 ( -3.297 -0.391 0.325) 3.336 ======================= Grid point 282 (132/336) ======================= q-point: (-0.09 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -3.898 23.759 11.467) 26.668 1.789 ( 18.803 5.974 11.286) 22.730 1.925 ( -0.085 12.193 16.533) 20.543 2.413 ( 10.056 8.309 30.664) 33.324 4.464 ( -1.154 3.072 -6.977) 7.710 4.690 ( 4.468 2.590 -3.277) 6.116 5.246 ( 0.197 -3.236 5.051) 6.002 5.396 ( 4.730 -12.576 -5.537) 14.532 5.630 ( -0.644 -10.561 -1.179) 10.646 5.821 ( -2.179 1.561 -5.384) 6.015 6.303 ( -7.374 5.990 1.983) 9.705 6.652 ( 2.760 -5.434 2.210) 6.483 6.929 ( 0.062 -9.923 -3.375) 10.481 7.151 ( -2.234 -5.303 -2.477) 6.264 7.347 ( 1.308 -1.968 1.378) 2.736 7.570 ( -7.039 -0.723 -1.287) 7.192 7.705 ( -1.939 3.413 1.628) 4.250 8.150 ( 0.305 -3.059 -10.558) 10.997 8.372 ( -0.524 -3.298 2.913) 4.431 8.779 ( 10.579 -6.179 7.015) 14.118 9.103 ( 5.124 2.334 8.276) 10.010 9.582 ( -1.620 1.601 -4.127) 4.714 9.689 ( -4.048 1.852 1.839) 4.816 9.977 ( -0.483 3.231 -3.597) 4.859 11.406 ( -0.645 9.635 -0.701) 9.682 11.548 ( 6.345 11.614 1.117) 13.281 13.052 ( -3.976 -4.709 -8.199) 10.257 13.668 ( -0.698 -1.763 2.126) 2.849 13.909 ( -2.035 2.080 -1.834) 3.440 14.286 ( -1.474 -8.513 6.361) 10.729 16.481 ( -5.858 4.658 1.540) 7.641 16.740 ( 9.574 3.408 -0.204) 10.165 17.282 ( -5.907 13.547 -4.895) 15.568 17.739 ( 26.757 11.533 -6.579) 29.870 20.391 ( -12.517 -19.959 5.714) 24.242 22.502 ( -2.443 -0.206 -0.389) 2.482 ======================= Grid point 286 (133/336) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 1.088 0.000 -10.207) 10.265 2.774 ( -7.888 -0.000 15.160) 17.090 2.881 ( 9.086 0.000 5.502) 10.622 3.325 ( -11.314 -0.000 -5.369) 12.524 4.158 ( -9.495 -0.000 1.729) 9.651 4.349 ( 4.533 0.000 -2.112) 5.001 4.370 ( -1.725 -0.000 -18.309) 18.390 5.346 ( -10.538 -0.000 1.702) 10.674 5.769 ( 5.607 0.000 -4.052) 6.917 5.875 ( -6.685 -0.000 -5.666) 8.763 6.012 ( -1.664 -0.000 -1.601) 2.309 6.451 ( -0.128 -0.000 2.424) 2.427 6.590 ( 3.096 0.000 0.846) 3.210 6.716 ( 0.318 0.000 -6.623) 6.631 7.434 ( 10.056 0.000 -11.023) 14.921 7.624 ( -6.619 -0.000 2.963) 7.252 8.063 ( -4.693 -0.000 5.853) 7.502 8.101 ( 4.443 0.000 -10.146) 11.076 8.302 ( 3.893 0.000 -1.371) 4.127 8.519 ( 4.204 0.000 9.756) 10.623 8.944 ( -9.712 -0.000 -13.826) 16.896 9.350 ( -1.229 -0.000 6.473) 6.589 9.909 ( 4.088 0.000 -1.407) 4.324 10.441 ( 0.141 0.000 8.126) 8.127 11.707 ( -9.445 -0.000 11.555) 14.924 12.044 ( 13.352 0.000 0.915) 13.384 12.406 ( -9.307 -0.000 -7.036) 11.667 13.789 ( 5.058 0.000 -4.076) 6.496 13.807 ( -0.660 -0.000 3.515) 3.576 14.037 ( -1.768 -0.000 -0.236) 1.784 16.221 ( 5.108 0.000 -0.619) 5.145 16.714 ( 0.057 0.000 -3.934) 3.934 18.435 ( -16.602 -0.000 22.443) 27.916 18.645 ( 26.615 0.000 2.286) 26.713 19.263 ( -16.226 -0.000 -18.653) 24.723 22.493 ( 4.317 0.000 0.332) 4.330 ======================= Grid point 287 (134/336) ======================= q-point: (-0.64 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 4.326 3.605 -10.192) 11.644 2.644 ( -15.448 2.019 5.864) 16.646 2.953 ( -0.894 10.234 3.833) 10.964 3.171 ( -6.376 -7.702 2.348) 10.271 4.058 ( -4.091 1.207 1.422) 4.496 4.277 ( 3.051 -1.685 -14.101) 14.526 4.435 ( 4.151 -6.034 -4.749) 8.729 5.210 ( -9.504 -3.067 2.233) 10.233 5.757 ( -1.202 1.654 -4.108) 4.588 5.840 ( 5.921 -0.351 -4.389) 7.379 5.933 ( -3.047 1.231 -7.288) 7.995 6.459 ( 1.139 6.718 7.031) 9.791 6.605 ( 3.430 4.924 -11.155) 12.667 6.782 ( 1.753 -11.577 5.406) 12.896 7.442 ( 0.685 8.813 -3.646) 9.562 7.601 ( 0.782 -7.550 -3.462) 8.342 8.002 ( -5.396 1.762 3.178) 6.506 8.109 ( 1.602 -3.269 -8.931) 9.644 8.365 ( 5.154 1.638 -2.303) 5.878 8.601 ( 0.438 4.904 7.168) 8.696 8.754 ( -5.190 -4.952 -8.729) 11.298 9.394 ( 0.464 -0.640 8.132) 8.170 9.956 ( 3.811 0.777 -3.101) 4.974 10.449 ( -3.770 0.563 5.795) 6.936 11.611 ( -9.749 0.521 10.113) 14.057 12.101 ( -2.567 11.937 -4.080) 12.874 12.363 ( 3.553 -14.169 -1.622) 14.697 13.801 ( -1.114 1.520 2.794) 3.370 13.858 ( 5.254 -0.699 -2.769) 5.980 14.050 ( 2.363 -0.295 0.894) 2.544 16.306 ( 4.419 -0.454 1.018) 4.557 16.713 ( 0.825 -2.619 -2.048) 3.426 18.227 ( -20.636 2.776 13.457) 24.792 18.805 ( -1.900 17.897 -5.920) 18.947 19.180 ( 12.212 -16.895 -4.862) 21.406 22.564 ( 3.225 -0.522 1.397) 3.553 ======================= Grid point 288 (135/336) ======================= q-point: (-0.55 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 6.848 7.348 -8.533) 13.179 2.353 ( -16.197 8.064 4.058) 18.543 2.799 ( -8.369 10.091 9.208) 16.020 3.214 ( -1.581 -4.939 2.873) 5.929 4.014 ( 1.021 2.355 -0.874) 2.711 4.333 ( 5.907 -6.688 -6.200) 10.866 4.530 ( 2.914 -8.834 -5.888) 11.009 5.137 ( -6.690 -7.572 0.959) 10.150 5.758 ( 3.880 2.493 -3.488) 5.782 5.817 ( 0.708 2.746 -9.587) 9.997 5.935 ( 4.404 -3.662 -0.079) 5.729 6.429 ( 0.463 11.313 6.353) 12.983 6.554 ( 3.958 1.171 -13.097) 13.732 6.949 ( -0.398 -10.657 6.621) 12.552 7.335 ( -2.879 4.564 -0.255) 5.403 7.675 ( 3.382 -5.227 -5.771) 8.489 7.895 ( -5.414 3.452 -0.122) 6.422 8.101 ( -1.710 -5.473 -7.548) 9.479 8.364 ( 2.234 6.935 -4.473) 8.550 8.586 ( 1.536 1.380 2.370) 3.144 8.750 ( -1.813 -4.145 1.713) 4.838 9.463 ( 0.006 -1.804 8.618) 8.805 9.981 ( 4.006 1.896 -4.730) 6.482 10.391 ( -6.093 0.983 4.329) 7.539 11.526 ( -7.922 -0.574 9.749) 12.576 11.889 ( -6.430 9.139 -2.952) 11.557 12.579 ( 8.183 -10.390 -1.134) 13.274 13.781 ( -2.150 0.469 2.091) 3.035 13.930 ( 4.088 -1.704 -2.284) 4.983 14.108 ( 4.470 1.594 0.786) 4.811 16.365 ( 2.462 2.091 2.452) 4.056 16.768 ( 1.528 -5.738 0.106) 5.939 17.925 ( -16.807 5.587 3.543) 18.062 18.545 ( -9.532 11.773 1.630) 15.236 19.530 ( 15.899 -11.471 -6.009) 20.505 22.612 ( 0.716 -0.596 1.732) 1.967 ======================= Grid point 289 (136/336) ======================= q-point: (-0.45 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 7.401 11.523 -5.155) 14.633 2.105 ( -7.815 12.383 14.486) 20.598 2.626 ( -10.430 7.918 10.850) 17.006 3.195 ( -3.777 4.515 2.299) 6.320 4.050 ( 4.735 -0.007 1.390) 4.935 4.493 ( 7.379 -8.147 -0.280) 10.995 4.628 ( 2.901 -10.190 -5.976) 12.164 5.145 ( -4.033 -12.009 -1.140) 12.719 5.630 ( -1.630 10.609 -10.618) 15.098 5.927 ( 9.164 -4.805 -0.499) 10.359 6.043 ( 4.097 -4.131 -0.007) 5.819 6.365 ( 2.384 7.472 -2.856) 8.347 6.553 ( 1.705 -2.325 -4.354) 5.222 6.993 ( -5.271 -4.327 -0.188) 6.822 7.311 ( 0.443 -1.057 3.838) 4.006 7.721 ( -0.064 -4.135 -3.905) 5.687 7.796 ( -0.729 3.478 -2.636) 4.425 8.068 ( -3.059 -5.117 -5.501) 8.112 8.302 ( 2.185 7.031 -3.479) 8.143 8.640 ( 2.944 -0.456 1.721) 3.440 8.754 ( -2.989 -1.420 4.610) 5.675 9.522 ( -1.576 -2.194 8.265) 8.695 9.997 ( 4.520 2.258 -5.828) 7.713 10.291 ( -7.742 1.522 2.879) 8.399 11.499 ( -3.880 -1.673 9.683) 10.564 11.720 ( -2.910 8.742 0.917) 9.259 12.789 ( 8.330 -7.497 -1.721) 11.338 13.741 ( -4.358 -0.813 1.017) 4.549 13.989 ( 2.361 -2.570 -2.094) 4.070 14.156 ( 3.876 3.421 -0.876) 5.244 16.388 ( 2.032 3.881 4.158) 6.040 16.847 ( 0.345 -5.684 1.361) 5.855 17.673 ( -7.539 7.452 0.194) 10.602 18.303 ( -10.511 9.787 5.150) 15.258 19.806 ( 10.780 -10.971 -9.125) 17.884 22.617 ( -1.842 -0.473 1.392) 2.357 ======================= Grid point 290 (137/336) ======================= q-point: (-0.36 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 11.047 14.196 2.058) 18.105 2.059 ( 0.909 12.670 24.534) 27.628 2.440 ( -11.929 7.706 10.703) 17.783 3.027 ( -6.470 16.494 3.273) 18.018 4.173 ( 6.148 -2.718 4.593) 8.141 4.710 ( 8.584 -7.868 2.993) 12.022 4.745 ( 4.241 -10.629 -5.485) 12.690 5.203 ( -3.340 -14.705 -3.451) 15.469 5.419 ( -2.950 11.537 -10.345) 15.774 6.035 ( 1.415 3.691 0.820) 4.037 6.209 ( 9.868 -10.328 -3.904) 14.808 6.364 ( 4.663 0.259 -2.223) 5.172 6.585 ( -2.890 -8.905 -1.663) 9.509 6.928 ( -2.888 -0.252 -1.161) 3.123 7.358 ( 0.219 -2.988 1.045) 3.172 7.690 ( -5.886 -2.188 1.784) 6.528 7.775 ( 3.835 1.568 -9.222) 10.110 8.063 ( 0.845 -3.631 -2.166) 4.312 8.268 ( 2.258 4.435 -1.755) 5.277 8.653 ( -3.000 0.534 1.032) 3.217 8.798 ( 3.667 -0.369 8.988) 9.714 9.556 ( -1.708 -1.355 7.051) 7.380 10.006 ( 2.342 1.227 -6.497) 7.014 10.154 ( -7.546 2.451 0.426) 7.946 11.537 ( 1.590 1.227 5.137) 5.515 11.658 ( 0.841 6.332 9.261) 11.251 12.954 ( 6.428 -4.752 -3.171) 8.600 13.672 ( -5.899 -1.818 0.362) 6.183 14.030 ( 0.816 -3.506 -1.716) 3.988 14.146 ( 0.712 4.353 -2.904) 5.281 16.424 ( 3.401 4.001 6.124) 8.067 16.887 ( -1.234 -2.256 1.299) 2.881 17.552 ( 2.094 9.277 -0.568) 9.527 18.099 ( -7.638 8.686 4.966) 12.588 19.963 ( 2.474 -12.517 -10.537) 16.547 22.585 ( -3.263 -0.370 0.781) 3.375 ======================= Grid point 291 (138/336) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 14.413 10.522 7.006) 19.171 2.146 ( 2.930 12.031 27.436) 30.101 2.233 ( -10.245 11.249 10.934) 18.736 2.768 ( -3.046 24.590 7.069) 25.767 4.331 ( 4.728 -4.326 6.238) 8.944 4.840 ( 3.712 -7.157 -12.778) 15.109 4.970 ( 9.327 -5.766 8.644) 13.963 5.175 ( -5.325 0.095 -7.134) 8.903 5.314 ( -0.700 -9.430 -4.079) 10.299 5.979 ( -1.223 5.341 -2.773) 6.141 6.379 ( 4.943 -3.730 -2.958) 6.863 6.477 ( 1.212 -7.420 0.991) 7.584 6.609 ( -0.846 -10.140 -2.338) 10.440 6.922 ( -1.014 -4.497 1.956) 5.008 7.378 ( 0.335 -1.319 -3.077) 3.364 7.616 ( -6.627 -3.042 0.138) 7.293 7.765 ( 3.489 1.147 -8.502) 9.262 8.107 ( 1.806 -2.762 -4.848) 5.865 8.278 ( 2.250 1.249 1.490) 2.974 8.614 ( -0.409 2.669 7.231) 7.719 8.954 ( 6.828 -0.976 9.557) 11.786 9.590 ( 0.365 -0.347 5.743) 5.765 9.903 ( -8.465 1.726 -6.217) 10.644 10.068 ( 0.360 2.245 -3.382) 4.075 11.565 ( 4.447 6.567 1.278) 8.033 11.724 ( 2.967 4.589 12.860) 13.973 13.020 ( 0.308 -2.941 -6.510) 7.150 13.618 ( -3.347 -2.697 1.397) 4.520 14.066 ( -1.607 -0.277 -2.177) 2.720 14.071 ( -0.843 -0.568 -1.345) 1.686 16.498 ( 4.383 3.342 8.112) 9.807 16.856 ( -2.911 1.930 -0.861) 3.597 17.561 ( 10.535 10.611 -0.580) 14.964 17.956 ( -1.619 9.827 0.656) 9.981 20.002 ( -6.503 -15.911 -7.388) 18.709 22.538 ( -3.084 -0.297 0.270) 3.110 ======================= Grid point 292 (139/336) ======================= q-point: (-0.18 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -1.314 1.437 1.908) 2.726 2.083 ( 3.613 19.120 15.239) 24.716 2.223 ( 4.057 15.407 21.043) 26.394 2.679 ( 11.216 19.332 16.780) 27.948 4.453 ( 0.434 -3.873 3.645) 5.336 4.784 ( 1.161 5.120 -13.552) 14.533 5.131 ( -3.953 -9.580 -1.330) 10.449 5.204 ( 7.637 -5.486 3.446) 10.015 5.401 ( 0.493 -12.244 -0.942) 12.290 5.884 ( -1.696 4.424 -4.584) 6.593 6.390 ( -3.687 2.578 1.764) 4.832 6.527 ( -1.080 -8.049 -0.215) 8.124 6.719 ( 0.855 -11.166 -4.700) 12.145 7.003 ( 1.546 -7.902 4.980) 9.467 7.356 ( -0.103 0.995 -5.012) 5.111 7.540 ( -5.753 -2.705 -0.726) 6.399 7.757 ( 1.799 2.005 -5.519) 6.141 8.102 ( 0.507 -1.966 -8.314) 8.558 8.305 ( -0.848 -3.109 1.781) 3.682 8.730 ( 8.276 0.610 10.814) 13.632 9.122 ( 5.952 -0.108 9.130) 10.899 9.633 ( 1.092 2.637 0.137) 2.857 9.704 ( -8.133 0.432 -1.222) 8.236 10.028 ( -0.000 2.155 -4.913) 5.365 11.571 ( 3.126 8.367 1.544) 9.065 11.766 ( 3.017 10.130 7.649) 13.047 12.963 ( -4.125 -4.298 -8.716) 10.557 13.628 ( -0.517 -2.365 1.998) 3.139 13.964 ( -3.352 3.435 -2.383) 5.359 14.135 ( -0.105 -7.369 2.697) 7.848 16.555 ( -1.490 4.032 7.040) 8.249 16.807 ( 4.727 3.310 -2.040) 6.121 17.557 ( -0.123 14.893 -3.160) 15.225 17.944 ( 15.154 9.021 -2.560) 17.821 20.003 ( -10.257 -20.224 -0.843) 22.692 22.499 ( -2.076 -0.122 -0.253) 2.095 ======================= Grid point 293 (140/336) ======================= q-point: (-0.09 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -3.886 2.693 -1.677) 5.016 2.102 ( 7.077 16.371 13.409) 22.314 2.334 ( 8.118 10.790 21.514) 25.401 2.916 ( 20.420 11.152 16.701) 28.640 4.417 ( -2.825 2.970 -6.930) 8.051 4.746 ( 2.198 -1.054 -2.746) 3.672 5.094 ( -10.985 -7.370 -0.658) 13.245 5.377 ( 6.880 -9.001 -5.377) 12.540 5.525 ( -0.130 -8.000 5.363) 9.633 5.799 ( -1.122 2.103 -5.042) 5.577 6.303 ( -2.774 7.010 4.241) 8.649 6.564 ( -5.077 -10.201 -0.752) 11.419 6.768 ( -2.499 -10.339 -6.272) 12.348 7.126 ( 2.235 -1.092 0.146) 2.492 7.339 ( 1.277 -4.629 1.761) 5.115 7.467 ( -3.812 1.486 -4.881) 6.369 7.729 ( 0.352 0.976 1.451) 1.784 8.074 ( 0.751 -1.577 -9.279) 9.442 8.348 ( 0.017 -3.335 2.741) 4.317 8.857 ( -0.349 -0.072 -0.748) 0.828 9.274 ( 7.044 1.168 9.747) 12.082 9.509 ( -4.619 0.979 -1.951) 5.108 9.721 ( 1.362 0.460 5.380) 5.568 9.977 ( 0.407 2.561 -3.824) 4.620 11.505 ( 0.884 11.179 -0.625) 11.231 11.770 ( 4.798 10.259 7.474) 13.570 12.893 ( -3.124 -4.456 -9.167) 10.661 13.652 ( -0.648 -2.354 1.884) 3.084 13.875 ( -2.830 1.826 -2.349) 4.106 14.218 ( -1.509 -7.243 4.101) 8.459 16.458 ( -3.932 7.584 -0.579) 8.562 16.948 ( 11.987 -0.291 2.855) 12.326 17.299 ( -4.930 17.156 -7.643) 19.418 18.157 ( 16.407 5.815 3.333) 17.723 20.047 ( -8.574 -20.523 0.013) 22.242 22.467 ( -1.373 0.434 -1.016) 1.762 ======================= Grid point 298 (141/336) ======================= q-point: (-0.64 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 7.057 0.000 -7.966) 10.642 2.429 ( -14.843 -0.000 4.822) 15.606 2.958 ( -11.930 -0.000 7.859) 14.286 3.104 ( 4.082 0.000 1.276) 4.277 4.050 ( -0.593 -0.000 3.602) 3.650 4.263 ( 6.528 0.000 -10.342) 12.230 4.434 ( 3.418 0.000 -5.939) 6.853 5.061 ( -8.308 -0.000 1.859) 8.513 5.760 ( 3.768 0.000 -3.253) 4.978 5.846 ( -1.059 -0.000 -6.022) 6.114 5.918 ( 6.262 0.000 -6.905) 9.322 6.548 ( 3.081 0.000 -3.249) 4.477 6.646 ( -2.442 -0.000 0.850) 2.586 6.763 ( 3.487 0.000 4.449) 5.653 7.390 ( -8.552 -0.000 1.599) 8.701 7.611 ( 7.038 0.000 -7.319) 10.153 7.949 ( -5.489 -0.000 3.515) 6.518 8.029 ( -0.762 -0.000 -12.016) 12.040 8.438 ( 3.353 0.000 -2.744) 4.332 8.608 ( -0.671 -0.000 -6.486) 6.520 8.693 ( -0.802 -0.000 9.207) 9.242 9.445 ( -0.168 -0.000 8.559) 8.561 9.999 ( 3.962 0.000 -4.512) 6.005 10.400 ( -6.212 -0.000 4.517) 7.681 11.519 ( -8.518 -0.000 9.405) 12.689 11.998 ( -10.234 -0.000 -1.276) 10.313 12.460 ( 13.519 0.000 -2.508) 13.750 13.788 ( -3.544 -0.000 3.291) 4.837 13.909 ( 4.232 0.000 -3.340) 5.391 14.125 ( 5.350 0.000 0.829) 5.414 16.392 ( 4.132 0.000 3.688) 5.538 16.706 ( 0.848 0.000 -0.172) 0.865 17.978 ( -17.045 -0.000 3.825) 17.469 18.671 ( -14.792 -0.000 1.299) 14.849 19.406 ( 20.716 0.000 -6.448) 21.696 22.607 ( 0.911 0.000 1.806) 2.022 ======================= Grid point 300 (142/336) ======================= q-point: (-0.55 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 6.864 4.009 -3.367) 8.633 2.277 ( -6.468 5.113 12.069) 14.616 2.786 ( -10.345 7.080 8.743) 15.284 3.190 ( 2.564 -2.969 -0.011) 3.923 4.066 ( 1.068 1.206 3.724) 4.057 4.375 ( 9.419 -3.705 -1.798) 10.280 4.477 ( 3.508 -4.869 -5.662) 8.250 4.976 ( -6.158 -5.061 0.484) 7.985 5.773 ( 0.526 4.140 -11.934) 12.642 5.847 ( 7.862 -2.734 -2.323) 8.642 5.998 ( 5.319 -0.926 0.186) 5.402 6.519 ( 0.919 1.978 -13.865) 14.036 6.556 ( -4.698 6.787 6.765) 10.673 6.873 ( -0.312 -7.048 2.816) 7.596 7.299 ( -3.577 -0.243 3.521) 5.025 7.664 ( 2.224 -1.711 -4.573) 5.365 7.865 ( -2.023 3.425 -2.296) 4.593 7.976 ( -0.848 -4.121 -7.696) 8.771 8.413 ( -0.587 3.921 -3.851) 5.527 8.617 ( 2.846 -1.562 -1.547) 3.597 8.735 ( -1.098 -0.438 8.732) 8.811 9.489 ( -1.315 -1.027 8.292) 8.458 10.026 ( 3.567 0.781 -5.600) 6.685 10.309 ( -7.836 0.481 3.390) 8.552 11.478 ( -3.423 -0.533 9.633) 10.237 11.848 ( -5.946 4.096 3.083) 7.851 12.677 ( 12.715 -3.627 -3.248) 13.615 13.732 ( -5.611 -0.198 2.384) 6.100 13.952 ( 2.773 -1.146 -3.404) 4.537 14.201 ( 4.119 1.277 -0.717) 4.371 16.466 ( 3.160 3.387 6.071) 7.637 16.745 ( 0.983 -4.113 1.789) 4.592 17.770 ( -7.808 2.669 -0.190) 8.253 18.437 ( -14.721 3.978 6.868) 16.724 19.657 ( 13.867 -4.385 -11.505) 18.545 22.611 ( -1.640 -0.148 1.506) 2.231 ======================= Grid point 301 (143/336) ======================= q-point: (-0.45 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 6.526 6.637 3.369) 9.899 2.276 ( 2.127 9.401 19.542) 21.790 2.612 ( -8.239 9.330 8.717) 15.196 3.210 ( 0.013 3.667 -0.570) 3.711 4.124 ( 2.345 -2.195 5.174) 6.090 4.558 ( 4.690 -6.992 -4.740) 9.662 4.602 ( 10.735 -4.900 5.085) 12.850 4.957 ( -4.831 -10.153 -1.651) 11.365 5.628 ( -1.501 9.773 -11.939) 15.502 6.028 ( 9.630 -7.827 -3.383) 12.863 6.084 ( 3.428 0.879 2.209) 4.171 6.423 ( 0.781 4.299 -6.623) 7.934 6.466 ( -6.206 -3.117 -1.272) 7.061 6.904 ( -1.682 -2.297 0.685) 2.929 7.301 ( -0.838 -2.549 0.818) 2.805 7.642 ( -5.429 -2.407 -0.573) 5.966 7.821 ( 3.511 2.675 -8.084) 9.211 7.992 ( 2.828 -3.487 -3.379) 5.619 8.344 ( -0.903 3.133 -2.143) 3.901 8.664 ( 1.351 0.634 1.562) 2.161 8.790 ( 1.748 -0.458 9.598) 9.767 9.526 ( -1.384 -1.547 7.372) 7.659 10.027 ( 1.684 0.890 -6.648) 6.916 10.184 ( -8.002 0.904 0.877) 8.101 11.542 ( 3.368 -0.075 9.413) 9.998 11.775 ( -1.988 5.085 8.208) 9.857 12.875 ( 9.756 -3.374 -3.549) 10.916 13.645 ( -7.034 -1.010 1.372) 7.238 13.977 ( 1.157 -2.048 -3.518) 4.232 14.211 ( 0.435 2.430 -2.915) 3.820 16.515 ( 3.330 5.331 8.093) 10.247 16.821 ( 0.891 -4.428 2.981) 5.412 17.689 ( 2.600 5.100 -0.927) 5.799 18.220 ( -12.805 4.415 8.848) 16.178 19.781 ( 5.048 -6.765 -15.306) 17.479 22.580 ( -3.106 -0.153 0.833) 3.219 ======================= Grid point 302 (144/336) ======================= q-point: (-0.36 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 3.830 4.851 6.767) 9.165 2.374 ( 5.312 11.667 22.902) 26.246 2.470 ( -2.085 13.003 9.355) 16.153 3.119 ( -1.246 12.262 1.150) 12.379 4.234 ( 1.638 -5.828 6.244) 8.697 4.669 ( 4.506 -8.703 -6.797) 11.927 4.877 ( 11.565 -3.870 9.524) 15.474 4.981 ( -4.210 -13.153 -3.378) 14.217 5.416 ( -3.076 11.425 -9.654) 15.271 6.068 ( -1.966 2.479 -2.647) 4.125 6.240 ( 6.906 -8.181 -1.886) 10.871 6.378 ( -3.233 -4.801 -4.694) 7.452 6.468 ( 3.498 -3.034 1.492) 4.865 6.892 ( -1.609 -0.044 1.969) 2.543 7.319 ( 0.893 -3.971 -4.213) 5.857 7.551 ( -8.081 -3.744 -0.562) 8.924 7.805 ( 4.527 2.697 -10.802) 12.019 8.060 ( 2.947 -2.353 -2.974) 4.803 8.304 ( -1.030 1.340 0.024) 1.690 8.682 ( 2.245 4.406 7.512) 8.994 8.927 ( 5.744 -1.980 10.083) 11.772 9.569 ( -0.131 -1.616 6.332) 6.536 9.943 ( -5.664 2.514 -6.936) 9.301 10.088 ( -2.113 -0.128 -3.045) 3.708 11.661 ( 6.844 3.483 3.081) 8.274 11.799 ( 1.266 3.715 16.583) 17.041 12.975 ( 1.628 -1.861 -5.005) 5.583 13.570 ( -3.933 -2.176 1.399) 4.708 13.988 ( -0.098 -3.285 -3.174) 4.569 14.140 ( -2.884 3.116 -3.871) 5.745 16.581 ( 4.042 5.243 10.318) 12.259 16.867 ( -0.350 -0.771 1.081) 1.374 17.739 ( 11.435 7.935 -0.798) 13.941 18.069 ( -8.027 3.006 8.774) 12.266 19.763 ( -4.299 -9.518 -16.009) 19.114 22.534 ( -2.913 -0.137 0.241) 2.926 ======================= Grid point 303 (145/336) ======================= q-point: (-0.27 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -4.434 1.156 3.631) 5.846 2.421 ( 5.999 16.484 11.865) 21.178 2.486 ( 4.558 13.654 20.411) 24.976 3.025 ( 5.596 14.986 6.215) 17.162 4.339 ( -1.644 -7.839 5.703) 9.832 4.767 ( 4.359 -6.609 -11.231) 13.741 4.972 ( -6.211 -9.527 -4.138) 12.102 5.149 ( 7.834 -1.729 9.843) 12.698 5.268 ( 1.298 1.876 -4.621) 5.154 5.967 ( -3.754 3.725 -3.830) 6.530 6.325 ( -4.179 -8.995 -1.200) 9.991 6.407 ( 2.900 -4.821 -2.616) 6.205 6.565 ( 1.745 -3.753 -0.621) 4.185 6.916 ( 2.927 -1.408 4.953) 5.923 7.345 ( 1.177 -2.324 -5.300) 5.906 7.468 ( -6.117 -4.792 -1.497) 7.914 7.789 ( 3.989 1.743 -10.167) 11.060 8.072 ( 0.383 -1.451 -6.248) 6.425 8.272 ( -2.609 -0.532 1.114) 2.887 8.779 ( 6.903 4.165 11.605) 14.131 9.107 ( 6.404 -1.469 10.039) 11.998 9.629 ( 0.565 -2.239 5.817) 6.259 9.755 ( -7.054 4.482 -7.016) 10.912 10.048 ( -0.531 -0.212 -5.338) 5.369 11.717 ( 4.819 6.976 2.222) 8.765 11.908 ( 3.269 5.179 14.676) 15.902 12.903 ( -6.379 -2.146 -7.321) 9.944 13.584 ( 0.721 -2.211 1.678) 2.868 14.001 ( -1.785 -3.296 -2.672) 4.604 14.042 ( -2.111 1.100 -1.557) 2.845 16.646 ( 0.322 5.594 10.981) 12.328 16.857 ( 2.857 2.022 -2.140) 4.103 17.816 ( 4.443 12.222 0.321) 13.008 18.052 ( 7.137 2.561 4.383) 8.759 19.669 ( -9.298 -14.803 -11.445) 20.894 22.498 ( -1.663 0.005 -0.142) 1.669 ======================= Grid point 304 (146/336) ======================= q-point: (-0.18 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -5.759 0.958 -2.073) 6.196 2.423 ( 4.798 17.453 11.777) 21.595 2.550 ( 4.956 12.024 18.445) 22.569 3.134 ( 15.192 10.312 9.914) 20.867 4.377 ( -5.582 -6.995 2.260) 9.230 4.754 ( 0.404 0.768 -11.603) 11.635 4.940 ( -6.116 -8.308 -1.570) 10.435 5.246 ( 3.830 -4.812 -3.607) 7.130 5.395 ( 4.614 -5.035 6.339) 9.317 5.850 ( -3.805 3.002 -3.264) 5.843 6.337 ( -3.009 -8.531 -2.093) 9.285 6.440 ( -2.217 2.262 4.938) 5.866 6.585 ( -0.479 -7.880 -8.193) 11.378 7.073 ( 7.418 -3.151 6.103) 10.109 7.306 ( -2.393 -0.164 -5.365) 5.876 7.444 ( -1.283 -3.652 -1.017) 4.002 7.757 ( 0.203 1.684 -7.127) 7.326 8.050 ( 0.963 -1.318 -7.962) 8.127 8.278 ( 0.333 -3.393 2.608) 4.293 8.889 ( 1.547 3.256 5.563) 6.629 9.277 ( 7.020 -0.283 8.769) 11.236 9.557 ( -7.927 2.609 -1.566) 8.491 9.714 ( 2.770 -0.436 4.505) 5.307 10.010 ( 0.398 0.816 -5.004) 5.086 11.705 ( 1.140 9.803 2.022) 10.074 11.952 ( 1.578 8.513 10.394) 13.528 12.799 ( -3.326 -5.146 -8.522) 10.495 13.617 ( -0.123 -1.263 1.118) 1.691 13.917 ( -3.751 2.186 -2.757) 5.142 14.089 ( 0.775 -6.173 2.134) 6.577 16.594 ( -2.788 7.287 3.156) 8.416 16.949 ( 8.728 0.310 2.599) 9.112 17.636 ( -4.871 17.397 -6.024) 19.044 18.240 ( 11.408 3.106 7.693) 14.105 19.658 ( -5.338 -20.157 -6.593) 21.870 22.476 ( -0.517 0.582 -0.536) 0.945 ======================= Grid point 305 (147/336) ======================= q-point: (-0.09 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -2.505 -0.424 -6.623) 7.094 2.437 ( 7.011 13.006 10.728) 18.259 2.634 ( 3.256 9.023 19.220) 21.481 3.366 ( 14.745 5.769 6.503) 17.117 4.336 ( -4.628 -3.215 -0.827) 5.695 4.684 ( -3.023 -2.777 -7.142) 8.238 4.853 ( -9.801 -2.538 -3.530) 10.722 5.360 ( 5.959 -8.294 -6.619) 12.171 5.521 ( 1.098 -5.294 4.800) 7.230 5.761 ( -2.925 1.893 -0.586) 3.533 6.348 ( -8.069 -6.280 -1.270) 10.303 6.363 ( -0.162 3.391 -0.219) 3.402 6.634 ( 1.452 -8.009 -3.698) 8.940 7.131 ( -0.896 2.471 -5.512) 6.106 7.354 ( 2.205 -4.766 5.192) 7.385 7.411 ( 0.398 1.964 -7.002) 7.283 7.746 ( 1.571 -4.064 2.408) 4.978 8.037 ( 2.502 -0.473 -7.455) 7.878 8.349 ( 1.422 -2.540 2.548) 3.868 8.800 ( -5.939 5.589 -5.905) 10.068 9.421 ( 0.992 -3.259 1.079) 3.573 9.433 ( -3.832 3.854 6.908) 8.789 9.782 ( 1.876 0.495 3.873) 4.332 10.012 ( 3.569 0.730 1.232) 3.846 11.612 ( -0.436 9.498 0.578) 9.526 11.960 ( 0.727 7.317 10.876) 13.129 12.786 ( 2.270 -3.601 -9.355) 10.278 13.623 ( -1.428 -1.918 1.342) 2.742 13.828 ( -2.880 1.500 -2.839) 4.313 14.162 ( -0.652 -4.884 2.711) 5.624 16.497 ( -0.115 9.106 -1.777) 9.279 17.100 ( 4.081 0.802 0.453) 4.184 17.372 ( 1.359 13.110 -4.485) 13.923 18.408 ( 3.004 1.076 15.567) 15.891 19.756 ( -0.603 -17.654 -9.499) 20.056 22.461 ( 0.346 1.578 -0.943) 1.871 ======================= Grid point 311 (148/336) ======================= q-point: (-0.55 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 4.361 0.000 4.660) 6.382 2.370 ( 2.713 0.000 17.806) 18.011 2.717 ( -7.543 -0.000 7.214) 10.437 3.226 ( 3.429 0.000 -2.106) 4.024 4.102 ( -0.145 -0.000 5.249) 5.251 4.488 ( 4.328 0.000 -4.325) 6.119 4.555 ( 13.047 0.000 5.679) 14.229 4.858 ( -5.514 -0.000 -0.516) 5.538 5.738 ( 0.964 0.000 -13.139) 13.175 5.938 ( 7.121 0.000 -3.821) 8.082 6.090 ( 5.248 0.000 2.976) 6.033 6.422 ( -5.529 -0.000 -7.660) 9.447 6.498 ( -5.036 -0.000 -0.995) 5.134 6.871 ( 0.913 0.000 1.543) 1.792 7.276 ( -1.276 -0.000 0.457) 1.355 7.616 ( -5.637 -0.000 -0.959) 5.718 7.853 ( 2.329 0.000 -7.404) 7.761 7.953 ( 4.647 0.000 -3.897) 6.065 8.374 ( -2.563 -0.000 -2.828) 3.817 8.672 ( 4.553 0.000 2.234) 5.071 8.785 ( 0.117 0.000 9.666) 9.667 9.510 ( -1.244 -0.000 7.332) 7.437 10.036 ( 1.735 0.000 -6.507) 6.734 10.192 ( -8.532 -0.000 0.998) 8.591 11.541 ( 3.906 0.000 10.150) 10.876 11.826 ( -3.401 -0.000 8.764) 9.401 12.841 ( 11.427 0.000 -3.987) 12.103 13.635 ( -7.518 -0.000 1.824) 7.736 13.957 ( 1.407 0.000 -4.161) 4.392 14.234 ( 0.309 0.000 -2.877) 2.893 16.584 ( 3.005 0.000 9.597) 10.056 16.761 ( 2.067 0.000 2.926) 3.583 17.737 ( 2.789 0.000 -1.193) 3.033 18.263 ( -15.160 -0.000 10.219) 18.282 19.716 ( 6.337 0.000 -17.064) 18.203 22.578 ( -3.056 -0.000 0.858) 3.174 ======================= Grid point 313 (149/336) ======================= q-point: (-0.45 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -0.935 1.454 7.982) 8.167 2.545 ( 6.663 5.364 20.735) 22.430 2.665 ( 0.481 6.259 6.476) 9.019 3.242 ( 0.994 2.195 -2.225) 3.280 4.141 ( -0.858 -3.092 5.661) 6.507 4.551 ( 4.217 -3.444 -3.678) 6.570 4.792 ( -4.155 -5.139 -2.120) 6.940 4.836 ( 13.375 -1.457 10.799) 17.252 5.614 ( -2.335 7.869 -11.848) 14.414 6.001 ( -0.808 -6.143 -5.342) 8.181 6.188 ( 4.526 0.467 3.548) 5.770 6.305 ( -3.419 -2.103 -7.268) 8.303 6.468 ( 2.438 1.162 2.538) 3.706 6.892 ( 0.744 -0.104 1.170) 1.391 7.259 ( 0.628 -1.915 -5.540) 5.895 7.492 ( -9.213 -1.999 -1.089) 9.490 7.848 ( 4.068 1.430 -10.332) 11.196 8.024 ( 4.046 -1.215 -2.413) 4.865 8.322 ( -2.154 0.543 -0.970) 2.424 8.768 ( 5.278 4.104 8.115) 10.515 8.878 ( 3.503 -2.927 10.063) 11.050 9.542 ( -0.230 -0.883 6.094) 6.162 9.991 ( -2.137 2.202 -7.228) 7.852 10.069 ( -5.552 -1.463 -2.464) 6.248 11.699 ( 8.769 0.859 5.847) 10.575 11.854 ( -1.021 1.744 16.302) 16.426 12.950 ( 3.147 -0.717 -4.099) 5.217 13.541 ( -4.517 -0.821 1.440) 4.812 13.947 ( 0.029 -1.120 -4.572) 4.707 14.181 ( -3.181 1.110 -4.088) 5.297 16.674 ( 2.897 3.787 11.780) 12.709 16.836 ( 2.643 -1.959 2.634) 4.214 17.842 ( 12.605 2.817 -1.290) 12.981 18.096 ( -13.196 0.463 12.576) 18.235 19.646 ( -2.670 -3.115 -20.547) 20.953 22.532 ( -2.824 -0.031 0.233) 2.833 ======================= Grid point 314 (150/336) ======================= q-point: (-0.36 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -6.501 0.875 5.196) 8.368 2.672 ( 6.006 10.100 11.106) 16.168 2.732 ( 7.858 11.272 16.271) 21.297 3.205 ( 0.608 4.604 0.559) 4.678 4.190 ( -3.526 -7.043 4.929) 9.292 4.638 ( 4.614 -5.718 -5.554) 9.211 4.778 ( -3.707 -9.020 -3.406) 10.330 5.121 ( 10.628 -0.802 12.371) 16.329 5.408 ( -3.702 9.302 -9.375) 13.716 5.964 ( -5.777 -4.986 -3.983) 8.609 6.215 ( -2.059 -0.998 -1.384) 2.675 6.310 ( 4.197 -4.319 -4.585) 7.569 6.553 ( 4.630 1.008 3.685) 6.003 6.925 ( 3.089 1.452 3.746) 5.067 7.284 ( 3.609 -3.439 -6.430) 8.136 7.374 ( -7.444 -4.682 -2.408) 9.118 7.825 ( 3.107 1.834 -11.085) 11.657 8.045 ( 0.111 -1.397 -5.284) 5.466 8.275 ( -2.913 0.533 0.279) 2.975 8.873 ( 6.194 5.555 11.500) 14.194 9.063 ( 6.782 -3.361 11.020) 13.369 9.587 ( -0.469 -1.859 4.873) 5.237 9.846 ( -4.557 5.063 -6.729) 9.575 10.017 ( -1.664 -3.025 -5.366) 6.381 11.822 ( 6.062 4.008 2.436) 7.665 11.971 ( 3.381 1.869 18.091) 18.499 12.879 ( -8.480 -0.634 -4.796) 9.763 13.549 ( 2.209 -1.438 1.463) 3.015 13.931 ( -0.604 -2.724 -4.172) 5.020 14.083 ( -3.847 1.795 -3.169) 5.297 16.750 ( 1.054 4.918 13.533) 14.437 16.883 ( 2.775 0.796 -1.325) 3.177 17.971 ( -6.100 2.662 11.475) 13.266 18.083 ( 15.948 2.945 1.196) 16.262 19.461 ( -9.687 -7.423 -20.213) 23.612 22.498 ( -1.354 0.052 -0.061) 1.356 ======================= Grid point 315 (151/336) ======================= q-point: (-0.27 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -6.368 0.764 -0.201) 6.417 2.728 ( 4.801 13.630 10.579) 17.909 2.783 ( 3.294 13.423 13.006) 18.979 3.253 ( 7.564 2.002 5.432) 9.526 4.209 ( -6.890 -9.449 3.540) 12.218 4.719 ( 3.611 -4.376 -10.311) 11.769 4.788 ( -3.179 -7.995 -0.995) 8.661 5.220 ( -2.523 1.879 -2.629) 4.099 5.348 ( 5.657 -0.180 4.395) 7.166 5.877 ( -5.664 -1.430 -3.334) 6.726 6.200 ( -1.296 -3.462 -0.734) 3.769 6.394 ( 4.270 -5.722 -5.648) 9.103 6.582 ( -0.128 5.222 2.275) 5.697 7.038 ( 7.486 -0.649 6.679) 10.053 7.287 ( -2.663 -2.758 -6.910) 7.903 7.357 ( 0.830 -4.453 -0.594) 4.569 7.781 ( 0.838 0.914 -10.802) 10.873 8.018 ( 0.562 -1.957 -7.521) 7.792 8.241 ( -1.319 -0.612 2.285) 2.708 8.966 ( 2.050 4.630 8.464) 9.863 9.267 ( 7.669 -0.976 9.921) 12.578 9.572 ( -6.796 -0.789 0.352) 6.851 9.741 ( 1.601 3.499 -0.291) 3.859 9.998 ( 0.246 -2.173 -4.808) 5.282 11.862 ( 1.776 6.729 5.485) 8.861 12.078 ( 1.973 5.008 10.258) 11.584 12.712 ( -7.972 -4.012 -5.900) 10.698 13.606 ( 2.099 0.040 0.824) 2.256 13.923 ( -1.935 -2.340 -3.760) 4.833 14.019 ( -0.375 -0.439 0.312) 0.656 16.734 ( -2.397 7.545 6.371) 10.162 16.953 ( 6.104 -0.058 2.391) 6.556 17.880 ( -7.370 6.630 6.168) 11.675 18.315 ( 13.468 6.889 3.317) 15.487 19.316 ( -5.353 -15.976 -14.764) 22.403 22.487 ( 0.236 0.514 -0.107) 0.576 ======================= Grid point 316 (152/336) ======================= q-point: (-0.18 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -3.444 1.156 -5.560) 6.641 2.682 ( 1.402 13.146 7.296) 15.100 2.817 ( 2.327 9.940 15.483) 18.546 3.424 ( 9.281 -0.119 4.198) 10.187 4.199 ( -7.353 -9.425 3.275) 12.395 4.665 ( -4.054 -0.317 -8.600) 9.513 4.807 ( -1.213 -2.936 -3.682) 4.863 5.222 ( 3.235 -6.630 -5.624) 9.277 5.426 ( -0.300 -3.820 0.250) 3.840 5.791 ( -3.813 0.238 -0.176) 3.825 6.218 ( -0.851 -3.475 0.082) 3.579 6.474 ( -0.504 -2.227 -9.023) 9.307 6.513 ( 2.422 3.612 3.566) 5.624 7.185 ( 1.856 3.009 -2.175) 4.151 7.257 ( 2.790 -5.401 4.685) 7.675 7.412 ( 2.156 -2.605 -2.574) 4.250 7.693 ( -3.262 -1.084 -7.734) 8.464 8.024 ( 3.657 -1.179 -7.161) 8.127 8.290 ( 2.494 -3.057 3.444) 5.237 8.917 ( -4.298 6.597 -1.032) 7.941 9.391 ( -1.596 -0.122 -0.456) 1.664 9.480 ( -1.794 0.841 7.920) 8.164 9.783 ( 2.631 0.326 3.599) 4.470 10.016 ( 2.593 -0.654 0.050) 2.675 11.795 ( -3.979 9.505 3.722) 10.956 12.074 ( -2.029 5.104 8.330) 9.978 12.686 ( 2.595 -6.975 -6.594) 9.943 13.619 ( 0.057 1.349 0.629) 1.489 13.857 ( -2.976 1.200 -3.518) 4.761 14.076 ( 1.788 -3.973 2.458) 5.002 16.658 ( 0.192 8.346 0.909) 8.397 17.079 ( 4.997 -1.930 4.021) 6.698 17.661 ( -6.507 14.811 -4.431) 16.773 18.406 ( -3.123 -0.126 14.142) 14.483 19.434 ( 8.491 -16.340 -12.422) 22.213 22.490 ( 1.310 1.518 -0.121) 2.009 ======================= Grid point 317 (153/336) ======================= q-point: (-0.09 0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -1.111 0.545 -9.310) 9.392 2.654 ( 1.059 5.991 6.346) 8.791 2.841 ( -0.929 7.661 16.067) 17.824 3.550 ( 3.366 -0.455 -1.036) 3.551 4.214 ( -3.938 -8.038 5.710) 10.617 4.545 ( -4.911 -2.079 -8.426) 9.972 4.731 ( -3.059 4.925 -5.955) 8.311 5.330 ( 4.230 -7.820 -5.753) 10.590 5.451 ( -0.524 -9.629 -6.683) 11.732 5.751 ( -2.330 0.797 4.015) 4.710 6.202 ( -4.769 0.833 -0.360) 4.855 6.361 ( -1.226 2.693 -3.775) 4.796 6.632 ( 6.645 -5.079 -1.958) 8.590 7.110 ( -2.686 5.262 -2.539) 6.431 7.309 ( -3.433 2.767 -6.705) 8.025 7.476 ( 6.912 -2.387 1.960) 7.571 7.703 ( 0.613 -10.695 0.098) 10.713 8.075 ( 6.447 0.133 -3.101) 7.155 8.374 ( 1.764 -1.222 2.871) 3.584 8.729 ( -5.877 8.444 -7.159) 12.533 9.298 ( -7.213 -3.072 -2.448) 8.214 9.488 ( -2.277 4.330 3.764) 6.173 9.831 ( 1.389 0.386 2.375) 2.778 10.113 ( 4.920 -1.475 8.378) 9.827 11.657 ( -4.521 6.306 2.516) 8.157 12.043 ( -3.468 2.834 8.249) 9.386 12.790 ( 7.396 -3.186 -6.102) 10.104 13.601 ( -1.236 0.893 1.134) 1.900 13.785 ( -1.204 1.413 -3.608) 4.058 14.140 ( 0.126 -2.399 2.328) 3.345 16.595 ( 2.316 9.808 -2.230) 10.321 17.109 ( -3.442 4.555 -4.392) 7.203 17.504 ( 5.008 3.372 1.936) 6.340 18.424 ( -11.916 -7.025 20.973) 25.123 19.636 ( 10.705 -7.665 -14.973) 19.938 22.498 ( 2.170 2.606 -0.089) 3.393 ======================= Grid point 324 (154/336) ======================= q-point: ( 0.55 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -7.233 -0.000 5.887) 9.326 2.775 ( 5.717 0.000 9.985) 11.506 2.849 ( 10.063 0.000 15.949) 18.859 3.237 ( -1.607 -0.000 -2.024) 2.584 4.116 ( -4.113 -0.000 4.432) 6.047 4.581 ( 4.185 0.000 -3.567) 5.499 4.687 ( -3.078 -0.000 -2.762) 4.136 5.115 ( 11.267 0.000 13.048) 17.239 5.520 ( -5.483 -0.000 -12.065) 13.252 5.882 ( -5.255 -0.000 -2.577) 5.853 6.228 ( 0.551 0.000 -8.007) 8.026 6.262 ( 2.052 0.000 2.243) 3.039 6.569 ( 5.857 0.000 4.770) 7.553 6.943 ( 3.880 0.000 3.078) 4.953 7.246 ( 4.322 0.000 -7.231) 8.424 7.323 ( -8.425 -0.000 -2.821) 8.885 7.845 ( 2.540 0.000 -11.013) 11.302 8.029 ( 0.020 0.000 -4.998) 4.998 8.281 ( -2.776 -0.000 -0.109) 2.778 8.965 ( 2.873 0.000 10.455) 10.843 8.993 ( 9.930 0.000 12.331) 15.832 9.568 ( -0.481 -0.000 4.518) 4.544 9.931 ( -1.846 -0.000 -8.809) 9.000 9.951 ( -4.136 -0.000 -3.179) 5.217 11.860 ( 6.779 0.000 2.370) 7.181 11.987 ( 3.039 0.000 19.042) 19.283 12.873 ( -9.229 -0.000 -3.586) 9.901 13.535 ( 2.845 0.000 1.391) 3.167 13.905 ( -0.688 -0.000 -5.026) 5.073 14.100 ( -3.998 -0.000 -3.379) 5.235 16.802 ( 0.913 0.000 14.240) 14.269 16.890 ( 3.493 0.000 -0.514) 3.530 17.974 ( -12.330 -0.000 16.534) 20.626 18.128 ( 21.753 0.000 -1.415) 21.799 19.391 ( -10.328 -0.000 -23.291) 25.478 22.499 ( -1.241 -0.000 -0.031) 1.242 ======================= Grid point 326 (155/336) ======================= q-point: (-0.36 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -6.709 0.381 1.298) 6.844 2.900 ( 4.969 4.858 10.512) 12.602 3.034 ( 4.618 11.577 9.144) 15.458 3.217 ( 0.914 -5.319 2.913) 6.133 4.070 ( -6.654 -4.402 2.965) 8.512 4.638 ( 4.156 -3.000 -6.677) 8.418 4.668 ( 0.243 -3.717 -0.631) 3.778 5.264 ( -5.912 1.549 2.055) 6.447 5.371 ( 2.769 1.704 -3.311) 4.641 5.810 ( -4.647 -3.473 -2.319) 6.248 6.204 ( 2.352 1.866 -4.651) 5.536 6.309 ( 2.709 -2.937 -2.028) 4.480 6.680 ( 5.410 3.906 4.713) 8.169 7.033 ( 2.362 -0.333 7.071) 7.462 7.216 ( -1.989 -2.917 -6.166) 7.105 7.302 ( 4.754 -1.621 -3.999) 6.420 7.794 ( -0.056 0.451 -11.357) 11.366 7.987 ( -0.112 -1.014 -7.154) 7.226 8.241 ( -2.007 0.216 1.371) 2.440 9.043 ( 1.019 2.827 9.098) 9.582 9.240 ( 9.432 -1.389 11.700) 15.092 9.555 ( -4.751 -0.579 0.980) 4.886 9.825 ( 0.003 4.931 -4.547) 6.708 9.933 ( -0.094 -4.373 -3.178) 5.407 11.947 ( 0.940 2.263 9.008) 9.335 12.144 ( 6.371 1.898 7.331) 9.896 12.656 ( -14.017 -1.663 -3.358) 14.509 13.611 ( 4.468 0.292 1.491) 4.720 13.874 ( -0.391 -1.733 -4.610) 4.940 14.030 ( -2.130 0.628 -1.067) 2.464 16.860 ( -1.438 5.154 10.292) 11.600 16.940 ( 3.668 -1.553 0.194) 3.988 17.904 ( -10.546 -1.207 18.244) 21.107 18.483 ( 24.136 7.788 -2.084) 25.447 19.076 ( -12.779 -8.466 -21.665) 26.539 22.494 ( 0.672 0.206 0.146) 0.718 ======================= Grid point 327 (156/336) ======================= q-point: (-0.27 0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -2.939 1.318 -3.346) 4.644 2.913 ( -3.986 10.776 3.872) 12.124 2.982 ( 0.668 6.941 11.934) 13.822 3.371 ( 5.922 -4.532 3.804) 8.371 4.040 ( -5.372 -6.733 3.208) 9.192 4.650 ( -1.622 -1.495 -4.352) 4.879 4.744 ( 4.793 -3.055 -4.678) 7.362 5.115 ( -4.800 -4.321 -7.510) 9.905 5.393 ( -2.340 -0.167 -0.469) 2.392 5.759 ( -3.279 -2.744 -2.673) 5.043 6.219 ( 3.534 2.215 0.241) 4.177 6.383 ( 5.103 -3.657 -5.702) 8.481 6.681 ( -0.215 10.563 3.331) 11.078 7.118 ( 0.061 -9.363 4.075) 10.212 7.240 ( 4.966 2.554 -2.180) 5.995 7.356 ( 2.419 -2.523 -0.267) 3.505 7.690 ( -4.259 0.141 -11.694) 12.446 7.992 ( 4.985 -1.843 -7.771) 9.415 8.251 ( 1.293 -1.009 3.814) 4.152 9.029 ( -3.325 4.820 3.005) 6.582 9.403 ( -2.539 0.971 -1.867) 3.298 9.470 ( 0.005 -1.343 7.331) 7.453 9.808 ( 2.451 2.308 0.856) 3.474 9.982 ( 2.320 -2.810 1.893) 4.106 11.939 ( -5.594 5.089 10.017) 12.551 12.179 ( -1.706 7.065 1.605) 7.443 12.533 ( -1.355 -9.150 -3.695) 9.961 13.662 ( 2.520 2.782 1.059) 3.900 13.857 ( -0.930 -1.241 -4.261) 4.535 14.027 ( 1.346 -1.219 1.756) 2.526 16.812 ( -0.451 7.913 3.134) 8.523 17.032 ( 2.405 -3.349 4.283) 5.945 17.839 ( -9.323 3.475 11.799) 15.434 18.475 ( -8.561 8.387 -4.986) 12.980 19.149 ( 17.476 -13.965 -10.458) 24.694 22.514 ( 2.032 0.933 0.511) 2.294 ======================= Grid point 328 (157/336) ======================= q-point: (-0.18 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.014 3.409 -6.859) 7.659 2.758 ( -7.373 4.887 2.719) 9.254 2.982 ( -3.098 6.825 13.869) 15.764 3.492 ( 1.726 -5.064 -1.403) 5.531 4.076 ( -0.293 -5.902 5.300) 7.938 4.546 ( -4.938 2.428 -6.849) 8.786 4.782 ( 1.625 0.369 -4.422) 4.726 5.161 ( 5.580 -11.569 -9.152) 15.771 5.306 ( -6.805 -3.747 -5.233) 9.367 5.731 ( -1.586 -2.367 -1.779) 3.359 6.258 ( 1.914 4.294 4.648) 6.611 6.422 ( 0.875 1.648 -8.124) 8.336 6.599 ( 2.652 3.773 -0.822) 4.684 7.207 ( 0.188 4.190 -0.051) 4.194 7.275 ( 0.709 -6.607 3.391) 7.460 7.460 ( 7.169 -0.983 -0.914) 7.293 7.538 ( -6.443 -4.499 -8.011) 11.222 8.070 ( 7.786 -0.681 -5.441) 9.523 8.336 ( 3.187 -2.272 4.402) 5.890 8.887 ( -5.536 8.018 -4.405) 10.693 9.256 ( -8.805 -1.653 -4.547) 10.047 9.547 ( 0.166 1.878 5.593) 5.902 9.838 ( 1.546 0.628 1.402) 2.180 10.081 ( 3.301 -2.027 8.391) 9.242 11.793 ( -9.211 7.712 5.585) 13.248 12.079 ( -5.829 1.508 4.448) 7.486 12.675 ( 8.458 -8.353 -3.722) 12.456 13.660 ( 0.839 4.636 1.204) 4.863 13.814 ( -0.535 1.332 -4.230) 4.467 14.092 ( 1.831 -2.630 2.364) 3.982 16.760 ( 1.853 7.986 0.590) 8.219 17.108 ( -0.369 -3.315 1.813) 3.796 17.660 ( -6.602 10.463 -0.246) 12.374 18.276 ( -16.149 -7.443 10.781) 20.795 19.509 ( 20.737 -5.878 -10.561) 24.002 22.543 ( 2.683 2.042 0.772) 3.458 ======================= Grid point 329 (158/336) ======================= q-point: (-0.09 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.182 4.637 -8.427) 9.621 2.628 ( -9.658 -2.508 2.567) 10.303 2.922 ( -7.980 4.608 13.677) 16.491 3.483 ( -5.292 -4.189 -5.665) 8.811 4.181 ( 1.399 -2.086 5.178) 5.755 4.438 ( 0.678 -0.389 -7.130) 7.172 4.739 ( 0.919 5.822 -4.637) 7.499 5.234 ( -4.876 -8.826 -3.842) 10.790 5.323 ( 7.177 -11.577 -12.507) 18.492 5.726 ( -0.274 -1.807 -0.966) 2.067 6.182 ( -5.541 8.937 2.644) 10.843 6.385 ( 4.168 2.872 -2.979) 5.873 6.691 ( 7.959 -3.851 -4.389) 9.871 7.073 ( -8.418 7.485 -3.143) 11.695 7.277 ( -0.162 3.428 -3.059) 4.597 7.559 ( 4.533 -6.567 1.295) 8.084 7.614 ( 4.038 -9.461 0.220) 10.289 8.184 ( 8.281 -0.437 -1.490) 8.426 8.407 ( 0.043 0.090 3.802) 3.803 8.681 ( -4.843 8.958 -7.588) 12.700 9.113 ( -7.841 -3.748 -7.427) 11.432 9.508 ( -3.153 5.191 4.146) 7.354 9.857 ( 0.504 -0.236 0.342) 0.654 10.214 ( 2.424 -3.005 11.004) 11.662 11.628 ( -7.260 4.428 4.540) 9.640 12.013 ( -6.093 -0.725 4.989) 7.908 12.859 ( 8.086 -4.411 -2.587) 9.567 13.622 ( -0.505 4.667 1.366) 4.889 13.785 ( 2.323 1.923 -4.260) 5.219 14.140 ( 0.030 -1.216 1.954) 2.302 16.704 ( 0.511 9.497 -2.075) 9.734 17.053 ( -3.455 3.851 -5.873) 7.827 17.591 ( 2.704 -3.300 4.801) 6.423 18.185 ( -18.411 -12.198 16.394) 27.505 19.754 ( 15.763 2.226 -12.036) 19.957 22.570 ( 2.917 2.859 0.895) 4.181 ======================= Grid point 337 (159/336) ======================= q-point: ( 0.64 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -2.534 -0.000 -2.230) 3.376 3.040 ( 1.082 0.000 11.857) 11.906 3.043 ( -10.215 -0.000 -0.677) 10.237 3.311 ( 7.374 0.000 5.570) 9.241 3.972 ( -4.034 -0.000 3.114) 5.096 4.628 ( 0.782 0.000 -1.485) 1.679 4.715 ( 8.073 0.000 -5.571) 9.808 5.073 ( -11.013 -0.000 -9.263) 14.391 5.395 ( -2.805 -0.000 -0.255) 2.817 5.727 ( -2.292 -0.000 -2.804) 3.622 6.248 ( 6.436 0.000 -8.210) 10.432 6.349 ( 3.643 0.000 3.452) 5.019 6.851 ( 7.762 0.000 6.632) 10.209 6.957 ( -8.817 -0.000 -0.687) 8.844 7.272 ( 8.646 0.000 0.094) 8.647 7.327 ( 0.400 0.000 -1.610) 1.659 7.691 ( -4.100 -0.000 -11.949) 12.633 7.972 ( 5.222 0.000 -7.906) 9.475 8.244 ( 0.678 0.000 3.546) 3.610 9.078 ( -3.156 -0.000 4.870) 5.803 9.414 ( -2.893 -0.000 -2.371) 3.740 9.454 ( 1.064 0.000 6.730) 6.814 9.844 ( 2.157 0.000 -4.051) 4.590 9.940 ( 2.356 0.000 6.343) 6.767 11.983 ( -6.113 -0.000 12.643) 14.043 12.315 ( 11.424 0.000 -2.017) 11.600 12.380 ( -15.929 -0.000 -1.940) 16.047 13.696 ( 3.827 0.000 2.189) 4.408 13.836 ( 0.380 0.000 -4.890) 4.905 14.019 ( 0.352 0.000 1.042) 1.100 16.942 ( -3.937 -0.000 15.756) 16.240 16.948 ( 4.103 0.000 -7.646) 8.677 17.854 ( -9.773 -0.000 20.436) 22.653 18.611 ( -19.166 -0.000 -21.388) 28.720 18.974 ( 29.428 0.000 -2.807) 29.562 22.523 ( 2.298 0.000 0.747) 2.417 ======================= Grid point 339 (160/336) ======================= q-point: (-0.27 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 1.954 2.012 -4.060) 4.935 2.824 ( -14.311 1.887 -0.114) 14.435 3.076 ( -4.752 2.702 13.009) 14.110 3.407 ( 1.197 -2.829 -1.941) 3.634 4.000 ( 3.360 -2.147 4.836) 6.268 4.617 ( -1.041 3.473 -2.310) 4.299 4.789 ( 3.270 2.750 -6.844) 8.068 4.934 ( 1.256 -11.229 -10.754) 15.599 5.282 ( -8.289 -0.051 -4.470) 9.418 5.691 ( -0.512 -1.318 -3.889) 4.138 6.316 ( 7.774 1.281 -5.131) 9.402 6.431 ( 2.747 0.442 2.831) 3.969 6.751 ( -4.229 9.485 -2.907) 10.784 7.076 ( 5.040 -10.458 5.137) 12.695 7.286 ( -2.167 2.380 0.641) 3.282 7.417 ( 4.828 -1.877 2.981) 5.976 7.528 ( -4.975 0.662 -12.709) 13.664 8.054 ( 9.514 -0.684 -7.218) 11.962 8.305 ( 2.748 -0.854 5.410) 6.128 9.006 ( -5.222 3.854 -0.442) 6.505 9.231 ( -9.995 -0.968 -7.977) 12.824 9.565 ( 2.242 0.273 6.036) 6.445 9.856 ( 1.892 0.915 -1.954) 2.870 10.043 ( 2.081 -1.552 11.304) 11.598 11.910 ( -9.783 3.562 10.425) 14.733 12.116 ( -11.796 2.275 0.377) 12.019 12.524 ( 11.268 -5.997 -3.549) 13.248 13.742 ( 2.197 3.272 2.106) 4.469 13.825 ( 1.233 -0.264 -4.625) 4.794 14.052 ( 1.765 -1.297 1.697) 2.771 16.899 ( -0.744 6.891 4.291) 8.152 17.021 ( 0.137 -5.638 1.464) 5.826 17.805 ( -9.373 3.904 14.905) 18.034 18.186 ( -19.100 -1.949 -11.878) 22.576 19.425 ( 26.684 -2.627 -5.681) 27.408 22.570 ( 2.996 0.772 1.282) 3.348 ======================= Grid point 340 (161/336) ======================= q-point: (-0.18 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 2.602 6.791 -3.871) 8.239 2.580 ( -16.330 -2.510 1.375) 16.579 2.994 ( -10.969 2.750 11.034) 15.799 3.380 ( -6.233 -5.440 -5.628) 10.006 4.162 ( 9.678 -0.469 5.811) 11.299 4.491 ( -1.683 6.474 -7.787) 10.266 4.790 ( 2.141 -1.460 -4.099) 4.849 5.057 ( 0.888 -9.515 -11.471) 14.930 5.153 ( -0.416 -5.116 -5.250) 7.342 5.689 ( 1.424 -1.736 -3.410) 4.082 6.355 ( -2.513 8.113 4.935) 9.823 6.442 ( 6.680 2.136 -7.574) 10.322 6.671 ( 4.312 2.406 -2.942) 5.748 7.171 ( -6.407 0.547 -1.207) 6.542 7.319 ( -4.473 0.057 -3.219) 5.511 7.331 ( 3.922 -8.856 1.359) 9.781 7.570 ( 6.536 -0.373 1.042) 6.629 8.179 ( 9.750 -0.200 -5.217) 11.060 8.390 ( 1.439 -1.328 5.654) 5.983 8.840 ( -5.524 7.571 -6.213) 11.244 9.049 ( -9.023 -3.195 -7.589) 12.215 9.583 ( -1.591 2.636 4.003) 5.050 9.856 ( 0.317 0.236 -2.059) 2.097 10.159 ( 0.675 -2.675 12.572) 12.871 11.742 ( -9.799 7.115 7.099) 14.037 11.981 ( -8.394 -2.711 4.377) 9.847 12.739 ( 10.169 -6.676 -2.693) 12.459 13.733 ( 0.256 5.951 2.158) 6.336 13.820 ( 3.025 1.553 -4.997) 6.045 14.105 ( 1.100 -2.280 1.320) 2.855 16.847 ( -2.009 5.796 3.346) 6.988 17.059 ( 0.122 -2.482 -3.400) 4.211 17.629 ( -8.306 6.398 0.224) 10.487 17.968 ( -16.723 -10.801 9.921) 22.244 19.783 ( 21.641 0.859 -8.410) 23.233 22.614 ( 2.829 1.745 1.451) 3.627 ======================= Grid point 341 (162/336) ======================= q-point: (-0.09 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -2.015 10.011 -1.872) 10.382 2.358 ( -18.856 -6.785 1.199) 20.075 2.840 ( -11.960 -0.008 7.281) 14.002 3.264 ( -11.991 -7.130 -1.598) 14.042 4.216 ( -1.161 7.126 -6.470) 9.695 4.513 ( 11.540 -0.526 -0.471) 11.562 4.802 ( 3.955 4.025 -3.649) 6.720 5.038 ( -3.091 -11.371 -3.131) 12.193 5.265 ( 5.954 -8.779 -11.821) 15.883 5.741 ( 5.524 -0.902 -1.114) 5.707 6.222 ( -2.519 10.874 2.704) 11.485 6.499 ( 6.909 5.180 -3.091) 9.171 6.744 ( 5.584 -2.167 -7.986) 9.983 6.977 ( -7.015 5.827 -2.730) 9.520 7.252 ( -3.708 -3.188 -0.006) 4.890 7.553 ( 7.189 -10.122 2.351) 12.636 7.665 ( 3.954 -0.940 0.751) 4.133 8.296 ( 6.316 0.157 -1.440) 6.481 8.416 ( -2.162 1.019 3.872) 4.550 8.643 ( -3.985 7.652 -8.099) 11.833 8.906 ( -6.711 -3.820 -8.539) 11.513 9.544 ( -1.241 4.366 4.762) 6.579 9.841 ( -0.798 -1.339 -2.897) 3.290 10.258 ( -1.189 -3.832 10.592) 11.326 11.587 ( -7.157 5.183 6.561) 11.006 11.911 ( -7.777 -2.673 4.915) 9.580 12.925 ( 7.147 -4.868 -1.538) 8.784 13.678 ( -0.218 6.211 1.507) 6.395 13.837 ( 4.694 2.081 -4.708) 6.966 14.135 ( -0.564 -1.295 1.105) 1.793 16.720 ( -7.006 7.222 -2.178) 10.295 17.043 ( 2.917 3.115 -5.796) 7.198 17.556 ( -4.400 -9.730 4.002) 11.404 17.885 ( -15.005 -9.426 13.798) 22.459 19.993 ( 15.999 6.849 -9.545) 19.849 22.644 ( 2.129 2.276 1.373) 3.405 ======================= Grid point 350 (163/336) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 4.791 0.000 -1.226) 4.945 2.550 ( -19.489 -0.000 0.856) 19.508 3.019 ( -12.558 -0.000 9.106) 15.512 3.324 ( -6.449 -0.000 -5.258) 8.321 4.157 ( 12.458 0.000 5.800) 13.742 4.647 ( 1.137 0.000 0.066) 1.138 4.677 ( -4.394 -0.000 -14.651) 15.295 4.966 ( 11.566 0.000 -9.197) 14.777 5.110 ( -8.116 -0.000 -4.806) 9.432 5.672 ( 2.070 0.000 -3.914) 4.428 6.437 ( 11.270 0.000 -7.277) 13.416 6.458 ( -3.268 -0.000 4.684) 5.712 6.732 ( 1.058 0.000 -4.657) 4.776 7.092 ( -1.129 -0.000 1.653) 2.002 7.290 ( -10.567 -0.000 -7.865) 13.172 7.323 ( 4.034 0.000 5.904) 7.151 7.568 ( 6.905 0.000 0.210) 6.909 8.177 ( 10.884 0.000 -6.993) 12.937 8.375 ( 1.365 0.000 6.735) 6.872 8.935 ( -5.052 -0.000 -2.316) 5.558 8.999 ( -10.227 -0.000 -10.995) 15.016 9.607 ( -0.683 -0.000 4.026) 4.084 9.861 ( 0.509 0.000 -4.319) 4.349 10.130 ( -0.405 -0.000 14.341) 14.347 11.842 ( -9.088 -0.000 10.863) 14.163 11.929 ( -11.435 -0.000 2.150) 11.635 12.667 ( 11.392 0.000 -3.455) 11.904 13.799 ( 0.619 0.000 2.985) 3.048 13.835 ( 3.641 0.000 -5.266) 6.402 14.077 ( 1.273 0.000 0.491) 1.364 16.911 ( -8.502 -0.000 11.286) 14.130 17.018 ( 6.338 0.000 -8.026) 10.227 17.780 ( -18.560 -0.000 -11.334) 21.747 17.783 ( -9.311 -0.000 16.936) 19.327 19.790 ( 23.812 0.000 -6.944) 24.804 22.631 ( 2.809 0.000 1.655) 3.260 ======================= Grid point 351 (164/336) ======================= q-point: (-0.18 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -0.162 8.065 4.145) 9.070 2.251 ( -21.334 -4.158 3.403) 22.001 2.808 ( -14.962 -2.360 -3.186) 15.479 3.166 ( -13.338 -2.459 3.341) 13.968 4.384 ( 6.165 8.973 -3.584) 11.461 4.501 ( 6.381 -0.261 -5.721) 8.574 4.730 ( 1.261 -9.525 -2.985) 10.061 4.977 ( -0.088 4.043 -3.799) 5.548 5.115 ( 7.081 -6.786 -9.822) 13.880 5.726 ( 7.000 -0.493 -1.316) 7.139 6.401 ( -1.641 6.383 3.012) 7.247 6.583 ( 11.910 2.463 -5.893) 13.515 6.730 ( 3.192 1.505 -5.824) 6.810 7.057 ( -7.159 1.418 -2.436) 7.694 7.105 ( -6.039 -8.105 -3.437) 10.676 7.454 ( 5.755 -1.435 6.151) 8.545 7.663 ( 4.222 0.210 0.935) 4.329 8.305 ( 9.778 0.534 -5.992) 11.480 8.415 ( -2.394 -0.560 7.571) 7.960 8.755 ( -7.514 3.550 -9.952) 12.966 8.852 ( -5.103 -1.641 -5.945) 8.005 9.604 ( -1.138 1.727 3.895) 4.411 9.823 ( -1.337 -0.450 -5.658) 5.831 10.198 ( -2.498 -1.997 12.674) 13.071 11.713 ( -8.148 7.491 8.217) 13.785 11.838 ( -8.239 -5.321 6.870) 11.975 12.830 ( 9.004 -3.592 -2.794) 10.088 13.793 ( -0.875 4.467 2.507) 5.197 13.866 ( 4.618 0.740 -5.587) 7.286 14.099 ( 0.340 -1.785 -0.249) 1.834 16.806 ( -9.261 1.947 3.826) 10.207 17.072 ( 5.488 0.401 -6.920) 8.841 17.459 ( -14.516 -1.342 -1.848) 14.694 17.750 ( -10.224 -4.329 13.977) 17.850 20.081 ( 19.470 2.426 -8.624) 21.432 22.674 ( 1.793 0.879 1.563) 2.535 ======================= Grid point 352 (165/336) ======================= q-point: (-0.09 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -10.490 12.802 9.334) 19.001 1.948 ( -25.220 -5.205 2.275) 25.852 2.632 ( -10.905 -10.493 -4.830) 15.885 2.997 ( -15.630 -2.288 11.488) 19.532 4.194 ( -2.784 7.754 -12.734) 15.167 4.717 ( 11.313 1.683 -1.235) 11.504 4.836 ( 3.845 -8.420 -4.202) 10.165 4.981 ( 5.562 0.759 0.929) 5.690 5.213 ( 5.620 -6.488 -10.358) 13.452 5.895 ( 13.372 1.089 2.374) 13.624 6.338 ( 1.277 10.704 3.500) 11.334 6.613 ( 1.109 4.850 -8.573) 9.912 6.742 ( 4.203 4.473 -7.627) 9.790 6.961 ( 1.632 -1.106 -0.063) 1.972 7.130 ( -2.369 -9.177 0.296) 9.483 7.592 ( 3.884 -6.190 1.666) 7.496 7.710 ( 1.956 0.304 0.053) 1.981 8.337 ( -5.524 4.013 6.152) 9.191 8.448 ( 6.383 -0.126 -3.537) 7.299 8.577 ( -4.566 1.854 -7.253) 8.769 8.753 ( -3.826 -0.787 -5.489) 6.737 9.604 ( 0.348 2.635 5.591) 6.190 9.775 ( -1.127 -2.508 -6.665) 7.210 10.239 ( -3.968 -3.545 9.049) 10.497 11.577 ( -6.431 6.344 7.096) 11.488 11.792 ( -7.943 -2.328 6.678) 10.635 12.979 ( 6.253 -4.269 -2.194) 7.883 13.738 ( -0.572 5.320 1.762) 5.634 13.895 ( 3.808 0.869 -5.317) 6.597 14.115 ( -0.352 -1.503 0.099) 1.547 16.625 ( -8.723 4.860 -2.903) 10.399 17.091 ( 2.904 1.943 -6.370) 7.266 17.323 ( -12.200 -11.612 4.002) 17.312 17.721 ( -8.456 -5.803 12.350) 16.053 20.263 ( 15.786 7.686 -8.702) 19.596 22.690 ( 0.448 1.360 1.340) 1.961 ======================= Grid point 362 (166/336) ======================= q-point: (-0.18 -0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -13.095 -0.000 13.036) 18.477 1.898 ( -23.567 -0.000 7.763) 24.813 2.482 ( -16.062 -0.000 -12.403) 20.293 2.993 ( -11.501 -0.000 11.905) 16.553 4.297 ( -5.808 -0.000 -16.545) 17.535 4.699 ( 9.187 0.000 -0.258) 9.190 4.736 ( 8.368 0.000 0.607) 8.390 5.033 ( 5.671 0.000 -2.523) 6.206 5.128 ( 6.754 0.000 -9.289) 11.485 5.904 ( 14.870 0.000 2.768) 15.125 6.458 ( 1.402 0.000 3.643) 3.903 6.688 ( -2.964 -0.000 -11.923) 12.286 6.777 ( 13.784 0.000 -5.662) 14.902 6.969 ( -1.604 -0.000 1.648) 2.299 6.974 ( -3.749 -0.000 -1.584) 4.070 7.538 ( 1.846 0.000 2.926) 3.460 7.718 ( 2.175 0.000 0.224) 2.187 8.394 ( -6.514 -0.000 11.121) 12.889 8.429 ( 9.771 0.000 -6.945) 11.987 8.574 ( -7.319 -0.000 -8.288) 11.057 8.767 ( -2.626 -0.000 -5.696) 6.272 9.630 ( -0.069 -0.000 5.173) 5.174 9.749 ( -1.621 -0.000 -8.208) 8.366 10.201 ( -4.436 -0.000 10.310) 11.224 11.674 ( -8.053 -0.000 4.416) 9.184 11.743 ( -6.067 -0.000 11.916) 13.371 12.925 ( 7.233 0.000 -3.213) 7.914 13.808 ( -2.209 -0.000 2.967) 3.698 13.897 ( 3.321 0.000 -6.620) 7.406 14.093 ( 0.810 0.000 -0.978) 1.270 16.673 ( -9.054 -0.000 -0.961) 9.105 17.106 ( 3.167 0.000 -7.766) 8.387 17.211 ( -14.444 -0.000 3.590) 14.883 17.665 ( -8.851 -0.000 12.396) 15.231 20.337 ( 17.615 0.000 -8.984) 19.774 22.704 ( 0.255 0.000 1.335) 1.359 ======================= Grid point 363 (167/336) ======================= q-point: (-0.09 -0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -24.536 10.678 9.567) 28.417 1.544 ( -21.034 -2.337 16.828) 27.039 2.202 ( -23.898 -15.452 3.384) 28.659 2.918 ( -4.988 4.340 5.446) 8.566 4.145 ( 1.020 2.727 -10.478) 10.875 4.798 ( 3.100 -6.317 -3.272) 7.760 4.846 ( 5.098 1.632 -4.150) 6.773 5.132 ( 9.868 2.249 -1.702) 10.263 5.241 ( 10.281 -3.049 -5.818) 12.200 6.208 ( 19.025 2.506 6.893) 20.390 6.456 ( -1.560 6.944 3.372) 7.875 6.534 ( -3.468 1.584 -10.192) 10.882 6.896 ( 2.226 7.586 -1.866) 8.123 6.918 ( 4.563 -3.309 -6.424) 8.546 7.090 ( 6.509 -8.026 0.989) 10.381 7.565 ( 0.043 -4.777 -1.391) 4.976 7.750 ( 2.796 0.769 0.329) 2.919 8.321 ( -7.217 5.694 10.259) 13.775 8.461 ( -4.444 -3.181 -2.441) 5.986 8.547 ( 8.352 -0.053 -4.317) 9.402 8.673 ( -4.045 1.106 -4.166) 5.911 9.623 ( -4.956 -0.221 3.332) 5.976 9.737 ( 5.821 -1.188 -5.654) 8.201 10.184 ( -5.519 -2.020 6.968) 9.115 11.552 ( -7.494 3.849 3.772) 9.231 11.709 ( -6.975 0.253 7.692) 10.386 13.021 ( 5.321 -2.729 -3.282) 6.822 13.769 ( -2.077 2.406 2.412) 3.990 13.901 ( 1.312 -0.852 -4.963) 5.203 14.114 ( 1.855 -0.414 -0.292) 1.922 16.518 ( -6.232 2.784 -3.728) 7.777 17.030 ( -10.105 -1.587 -0.442) 10.238 17.086 ( -5.331 -5.977 -3.392) 8.698 17.611 ( -8.725 -3.735 10.497) 14.152 20.538 ( 16.992 5.759 -7.826) 19.574 22.700 ( -1.277 0.588 1.076) 1.771 ======================= Grid point 374 (168/336) ======================= q-point: (-0.09 -0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -23.859 -0.000 15.769) 28.600 1.266 ( -23.923 -0.000 16.371) 28.989 1.798 ( -23.179 -0.000 27.785) 36.184 2.840 ( -9.726 -0.000 -9.097) 13.317 4.203 ( 9.982 0.000 -3.050) 10.438 4.735 ( -1.447 -0.000 -10.478) 10.577 4.931 ( 5.840 0.000 2.227) 6.251 5.308 ( 12.094 0.000 -2.874) 12.430 5.375 ( 10.729 0.000 -5.032) 11.850 6.400 ( -6.133 -0.000 -4.916) 7.860 6.482 ( -1.652 -0.000 1.117) 1.994 6.579 ( 14.817 0.000 10.023) 17.889 6.811 ( -1.295 -0.000 -5.175) 5.335 7.061 ( 6.566 0.000 -9.696) 11.710 7.170 ( 8.570 0.000 1.199) 8.653 7.552 ( 3.353 0.000 0.715) 3.429 7.838 ( 7.168 0.000 2.222) 7.505 8.333 ( -5.100 -0.000 8.407) 9.832 8.357 ( -3.811 -0.000 -1.574) 4.124 8.586 ( -3.829 -0.000 0.942) 3.944 8.655 ( 6.818 0.000 -1.237) 6.929 9.547 ( -4.062 -0.000 0.332) 4.075 9.821 ( 6.824 0.000 -2.055) 7.127 10.111 ( -6.656 -0.000 4.070) 7.801 11.462 ( -7.687 -0.000 1.299) 7.796 11.605 ( -10.649 -0.000 -0.115) 10.649 13.075 ( 5.824 0.000 -2.108) 6.194 13.746 ( -3.287 -0.000 2.455) 4.103 13.894 ( 1.470 0.000 -2.158) 2.611 14.165 ( 4.128 0.000 2.334) 4.743 16.441 ( -1.986 -0.000 -3.591) 4.103 16.844 ( -12.870 -0.000 5.147) 13.861 16.895 ( -9.609 -0.000 -9.212) 13.312 17.496 ( -10.157 -0.000 7.552) 12.657 20.808 ( 17.700 0.000 -7.246) 19.126 22.674 ( -2.924 -0.000 0.654) 2.997 ======================= Grid point 375 (169/336) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -3.676 -0.000 20.232) 20.563 1.571 ( 12.776 0.000 18.265) 22.290 2.117 ( -15.807 -0.000 3.805) 16.259 2.720 ( 1.048 0.000 30.464) 30.482 4.208 ( -2.298 -0.000 -15.464) 15.634 4.604 ( 9.754 0.000 4.495) 10.740 5.303 ( 5.492 0.000 5.038) 7.453 5.469 ( 6.207 0.000 -6.712) 9.142 5.485 ( 5.409 0.000 -4.233) 6.868 6.076 ( -9.117 -0.000 1.065) 9.179 6.358 ( -10.869 -0.000 1.519) 10.975 6.717 ( 7.557 0.000 5.300) 9.230 6.876 ( 4.657 0.000 -8.840) 9.992 7.217 ( -0.831 -0.000 -5.452) 5.515 7.401 ( 7.779 0.000 3.930) 8.715 7.710 ( -0.739 -0.000 1.875) 2.016 7.842 ( -14.012 -0.000 2.416) 14.219 8.094 ( -2.926 -0.000 -7.701) 8.238 8.427 ( 8.077 0.000 3.710) 8.888 8.753 ( 9.274 0.000 -5.429) 10.746 9.053 ( 4.907 0.000 10.193) 11.313 9.530 ( 6.458 0.000 -2.725) 7.010 9.658 ( -12.745 -0.000 -6.785) 14.438 9.934 ( -1.264 -0.000 1.992) 2.359 11.159 ( -5.101 -0.000 -4.474) 6.785 11.307 ( 2.405 0.000 1.187) 2.682 13.105 ( -0.481 -0.000 -5.146) 5.168 13.730 ( -1.350 -0.000 1.900) 2.331 13.875 ( -0.651 -0.000 -1.580) 1.709 14.581 ( 1.275 0.000 6.606) 6.728 16.492 ( -9.284 -0.000 -0.161) 9.285 16.521 ( 7.352 0.000 0.121) 7.353 17.017 ( 21.468 0.000 1.862) 21.549 17.206 ( -11.184 -0.000 -0.855) 11.217 20.934 ( -3.044 -0.000 0.123) 3.047 22.558 ( -3.458 -0.000 -0.053) 3.459 ======================= Grid point 376 (170/336) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 6.351 -9.924 17.480) 21.080 1.875 ( 1.433 -1.959 3.943) 4.631 2.078 ( 13.395 -4.074 16.430) 21.586 2.911 ( 2.756 0.070 23.065) 23.229 4.113 ( -0.478 -3.517 -13.834) 14.282 4.751 ( 5.527 0.969 3.600) 6.667 5.356 ( -2.465 1.009 2.558) 3.693 5.444 ( 4.148 8.059 -8.541) 12.454 5.582 ( 4.944 -5.233 -5.856) 9.280 5.919 ( -6.609 8.269 4.770) 11.611 6.253 ( -7.864 -5.968 4.731) 10.947 6.810 ( 2.827 5.242 2.221) 6.356 6.916 ( 3.051 -4.195 -5.067) 7.252 7.096 ( -4.512 7.239 -8.390) 11.965 7.409 ( -8.584 -3.404 -1.478) 9.351 7.662 ( -0.805 9.420 5.656) 11.017 7.778 ( 0.922 -2.265 6.392) 6.843 8.000 ( -2.193 0.744 -8.645) 8.950 8.478 ( -1.391 1.445 2.454) 3.170 8.810 ( 0.371 0.570 -9.452) 9.476 9.198 ( 5.131 -3.148 6.419) 8.800 9.531 ( 4.688 4.509 -1.483) 6.671 9.641 ( 4.270 -4.323 -1.520) 6.264 9.911 ( -3.987 -2.378 2.390) 5.221 11.142 ( 1.115 -7.801 -3.106) 8.470 11.434 ( 10.126 -3.399 1.194) 10.748 13.008 ( -5.914 2.647 -4.389) 7.826 13.729 ( -0.058 0.505 2.059) 2.121 13.849 ( -1.746 -0.598 -1.760) 2.550 14.556 ( -4.914 4.924 5.331) 8.764 16.336 ( -10.122 -5.629 -1.238) 11.648 16.742 ( 15.666 -0.711 1.924) 15.800 17.021 ( -9.078 -4.073 -3.706) 10.618 17.500 ( 30.474 -4.377 -1.563) 30.826 20.771 ( -12.789 8.199 2.983) 15.481 22.501 ( -3.585 0.049 0.136) 3.588 ======================= Grid point 377 (171/336) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -3.048 3.282 3.256) 5.538 2.058 ( 9.386 -14.338 12.347) 21.121 2.531 ( 17.218 -6.053 15.554) 23.980 3.106 ( 8.477 -1.537 11.540) 14.402 4.093 ( 1.843 -5.941 -10.785) 12.450 4.778 ( -1.412 2.222 -2.709) 3.778 5.211 ( -13.115 3.801 0.464) 13.662 5.388 ( 5.045 7.679 -7.822) 12.067 5.657 ( 3.259 -2.438 -4.732) 6.242 5.810 ( -1.469 8.054 7.940) 11.405 6.253 ( -4.925 -7.776 5.351) 10.647 6.748 ( -5.478 8.568 0.894) 10.208 6.855 ( -4.107 9.153 -6.035) 11.707 6.967 ( 1.174 -2.497 -8.017) 8.478 7.246 ( -11.682 -5.610 -6.854) 14.660 7.643 ( 4.162 11.480 5.499) 13.392 7.873 ( 4.751 0.997 7.920) 9.290 7.926 ( -0.750 -0.039 -5.079) 5.134 8.431 ( -3.345 1.161 0.016) 3.541 8.679 ( -7.697 -3.377 -9.642) 12.792 9.338 ( 3.053 -5.374 2.952) 6.849 9.552 ( 1.636 5.377 -4.364) 7.116 9.747 ( 3.899 -0.556 4.103) 5.688 9.931 ( 3.192 -4.127 3.473) 6.268 11.276 ( 6.017 -8.631 -0.474) 10.532 11.696 ( 13.002 -8.632 3.905) 16.088 12.836 ( -7.817 3.766 -4.184) 9.633 13.735 ( 0.073 1.911 1.991) 2.760 13.809 ( -2.628 -0.921 -1.745) 3.286 14.431 ( -6.736 5.949 3.227) 9.549 16.258 ( -6.482 -8.304 -1.707) 10.672 16.919 ( -5.713 -6.173 -4.838) 9.703 17.047 ( 17.943 -1.003 3.420) 18.293 18.022 ( 28.273 -6.769 -1.402) 29.106 20.431 ( -17.992 13.846 2.127) 22.802 22.448 ( -3.109 -0.453 0.226) 3.150 ======================= Grid point 378 (172/336) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -4.711 5.855 -0.697) 7.547 2.420 ( 10.825 -10.476 9.851) 17.999 2.854 ( 5.713 -4.080 15.611) 17.117 3.343 ( 11.261 -4.210 -0.167) 12.023 4.153 ( 4.555 -7.344 -6.770) 10.978 4.637 ( -7.580 2.487 -9.760) 12.605 4.918 ( -16.606 6.242 1.241) 17.784 5.367 ( 5.735 7.157 -6.701) 11.358 5.632 ( -0.839 5.790 -4.500) 7.381 5.839 ( 1.585 -0.122 10.346) 10.467 6.269 ( -4.786 -5.902 1.740) 7.795 6.470 ( -11.380 11.435 -4.652) 16.790 6.754 ( 2.653 9.308 -2.164) 9.918 6.954 ( -0.530 -3.694 -5.453) 6.608 7.092 ( -8.288 -7.080 -10.295) 14.993 7.624 ( 2.571 7.422 1.999) 8.105 7.900 ( 0.500 2.331 -1.731) 2.946 8.008 ( 8.223 4.202 8.447) 12.515 8.359 ( -3.383 -1.828 -4.967) 6.281 8.571 ( -6.188 -5.176 -1.841) 8.275 9.405 ( -4.655 -1.846 -4.698) 6.866 9.442 ( -1.956 -0.370 -3.282) 3.838 9.797 ( 0.327 -0.756 3.021) 3.131 10.124 ( 10.765 -0.663 7.667) 13.233 11.453 ( 7.061 -5.535 0.195) 8.974 12.022 ( 9.101 -10.685 10.598) 17.587 12.664 ( -4.634 2.754 -6.223) 8.233 13.703 ( -2.105 2.646 0.456) 3.411 13.770 ( -1.874 0.358 -0.845) 2.087 14.292 ( -5.769 3.875 1.315) 7.073 16.264 ( -2.366 -10.003 -1.609) 10.404 16.874 ( -4.326 -7.651 -5.051) 10.137 17.369 ( 18.653 1.572 4.685) 19.297 18.499 ( 21.558 -7.569 3.319) 23.087 19.977 ( -20.033 16.459 -2.836) 26.082 22.423 ( -1.244 -1.601 0.616) 2.119 ======================= Grid point 379 (173/336) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -4.621 5.896 -3.072) 8.096 2.680 ( 6.225 -4.109 5.400) 9.209 3.017 ( 0.783 -2.966 11.999) 12.385 3.474 ( 2.035 -2.838 -4.030) 5.333 4.271 ( 2.953 -4.892 -5.209) 7.732 4.427 ( -5.910 -2.393 -11.026) 12.737 4.625 ( -12.766 6.031 3.009) 14.436 5.343 ( 5.307 7.727 -7.846) 12.224 5.501 ( -2.584 8.879 -4.758) 10.400 5.887 ( -4.297 2.481 6.137) 7.892 6.202 ( -9.768 -1.490 4.170) 10.725 6.254 ( 1.082 1.707 -7.790) 8.048 6.702 ( 5.057 10.308 -6.262) 13.078 6.933 ( -8.002 -7.688 -5.473) 12.374 7.039 ( 2.500 -6.643 -3.574) 7.947 7.629 ( 2.811 3.218 1.699) 4.599 7.864 ( 0.766 6.007 -0.684) 6.095 8.136 ( 8.105 4.838 3.413) 10.037 8.327 ( -0.391 -3.847 -3.506) 5.219 8.535 ( -5.536 -5.136 2.616) 7.992 9.199 ( -8.603 2.243 -12.564) 15.392 9.466 ( -2.414 -5.070 2.841) 6.293 9.825 ( 1.134 -0.445 0.075) 1.221 10.325 ( 7.655 0.904 8.201) 11.255 11.586 ( 4.304 -2.320 0.281) 4.897 12.224 ( -5.021 -3.873 15.578) 16.819 12.633 ( 7.035 -4.289 -7.376) 11.059 13.645 ( -2.027 1.845 -0.122) 2.743 13.719 ( -1.415 2.441 -2.174) 3.562 14.206 ( -3.209 0.588 1.094) 3.441 16.341 ( 0.406 -11.033 -1.540) 11.147 16.858 ( -3.066 -7.157 -3.754) 8.644 17.653 ( 16.428 5.115 5.247) 17.989 18.866 ( 7.976 -4.369 14.226) 16.885 19.487 ( -14.136 13.102 -14.362) 24.037 22.450 ( 1.387 -2.790 1.007) 3.274 ======================= Grid point 380 (174/336) ======================= q-point: (-0.55 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -2.256 1.613 -3.560) 4.513 2.724 ( -4.358 3.449 0.697) 5.601 3.070 ( -4.814 -1.625 6.840) 8.521 3.449 ( -3.348 -0.287 0.173) 3.365 4.124 ( -8.239 -0.068 -11.969) 14.531 4.454 ( -3.755 -3.208 -2.161) 5.391 4.530 ( 6.454 -3.240 2.111) 7.524 5.283 ( 2.975 8.735 -10.714) 14.140 5.360 ( 0.310 10.502 -1.955) 10.687 5.766 ( -4.172 4.201 -0.963) 5.998 6.127 ( -6.990 -3.949 4.307) 9.111 6.282 ( 3.990 -2.672 -4.276) 6.431 6.634 ( -0.400 3.289 -9.688) 10.239 6.854 ( -1.346 -2.839 -5.343) 6.198 7.174 ( 3.981 -7.074 3.602) 8.881 7.666 ( 2.882 1.311 1.411) 3.466 7.815 ( 2.152 8.626 0.409) 8.900 8.220 ( 5.975 1.204 -3.061) 6.820 8.355 ( 2.015 -0.024 -0.552) 2.089 8.500 ( -7.684 -6.258 2.364) 10.188 8.978 ( -6.678 2.047 -10.553) 12.655 9.494 ( -1.453 -4.339 2.985) 5.463 9.835 ( 0.670 0.533 -2.008) 2.183 10.439 ( 2.683 1.735 6.157) 6.937 11.634 ( -0.232 -0.436 1.317) 1.406 12.180 ( -9.652 0.447 11.232) 14.816 12.804 ( 7.267 -6.840 -0.644) 10.001 13.616 ( 0.443 1.422 0.291) 1.518 13.676 ( 1.446 1.045 -4.756) 5.080 14.180 ( -1.744 -0.882 1.547) 2.493 16.439 ( -0.262 -10.582 -2.488) 10.873 16.869 ( -0.893 -5.740 -0.931) 5.883 17.849 ( 11.714 9.052 5.383) 15.752 18.757 ( -23.724 14.339 13.593) 30.874 19.383 ( 13.560 -8.093 -14.671) 21.554 22.523 ( 3.096 -3.188 0.838) 4.522 ======================= Grid point 381 (175/336) ======================= q-point: (-0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.109 -6.615 -0.770) 6.660 2.495 ( -15.672 7.787 -0.810) 17.518 2.977 ( -9.221 2.723 4.091) 10.449 3.408 ( -4.280 2.051 6.754) 8.254 3.960 ( -4.534 -1.969 -10.866) 11.938 4.472 ( 3.203 -4.283 -1.551) 5.568 4.677 ( 5.542 -4.501 -1.413) 7.278 5.178 ( 3.284 8.490 -8.448) 12.419 5.275 ( 1.716 11.618 -1.019) 11.788 5.737 ( 3.946 0.105 0.193) 3.953 6.121 ( -2.199 -6.404 3.973) 7.851 6.341 ( 3.735 -3.506 -6.103) 7.968 6.513 ( -6.329 -4.323 -10.525) 13.021 6.891 ( 6.597 1.321 -2.324) 7.118 7.287 ( -0.143 -3.141 4.117) 5.180 7.701 ( 2.442 1.723 0.294) 3.003 7.787 ( 3.626 8.462 1.531) 9.332 8.268 ( 2.973 -1.393 -5.750) 6.621 8.345 ( -2.742 -0.559 -3.340) 4.357 8.456 ( -4.431 -5.624 1.438) 7.303 8.844 ( -1.939 3.028 -3.468) 4.995 9.543 ( 1.500 -3.079 1.986) 3.959 9.807 ( -1.094 1.684 -3.000) 3.610 10.459 ( -1.376 2.302 3.994) 4.811 11.620 ( -3.253 -0.767 2.548) 4.203 12.077 ( -10.858 0.141 10.468) 15.083 12.940 ( 3.175 -3.815 0.931) 5.050 13.637 ( 2.671 0.383 0.716) 2.791 13.697 ( 5.291 -0.805 -6.552) 8.460 14.171 ( -1.616 -0.570 1.654) 2.381 16.475 ( -3.704 -7.764 -3.849) 9.425 16.932 ( 1.936 -4.596 1.631) 5.247 17.894 ( 1.409 13.206 3.885) 13.838 18.316 ( -19.128 12.188 7.895) 24.016 19.635 ( 13.386 -11.047 -8.158) 19.177 22.605 ( 2.990 -2.608 -0.014) 3.967 ======================= Grid point 382 (176/336) ======================= q-point: (-0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -4.823 -13.414 2.311) 14.441 2.160 ( -16.190 7.720 8.324) 19.774 2.799 ( -8.911 7.699 1.789) 11.911 3.308 ( -11.741 5.529 11.269) 17.187 3.896 ( 1.585 -2.662 -7.960) 8.542 4.587 ( 6.406 -5.050 -3.625) 8.926 4.769 ( 4.463 -2.355 -4.370) 6.676 5.154 ( 5.243 4.493 -6.834) 9.715 5.180 ( 1.777 11.608 1.969) 11.907 5.895 ( 11.619 -4.804 2.943) 12.913 6.222 ( 1.298 -8.344 4.651) 9.640 6.362 ( -0.707 -4.103 -9.719) 10.573 6.465 ( 2.477 -7.982 -6.813) 10.783 6.963 ( 5.762 3.178 -3.544) 7.474 7.269 ( -3.276 2.901 1.662) 4.681 7.710 ( 1.790 3.886 -1.665) 4.590 7.774 ( 1.910 6.135 2.094) 6.758 8.271 ( -3.150 -7.385 -1.748) 8.217 8.307 ( -1.614 -4.669 -4.866) 6.934 8.478 ( 2.185 -0.496 1.083) 2.488 8.789 ( -0.191 4.623 0.767) 4.690 9.618 ( 4.990 -0.390 -1.855) 5.338 9.739 ( -3.359 1.564 -0.565) 3.748 10.412 ( -3.971 2.694 3.207) 5.772 11.581 ( -5.166 -2.090 1.905) 5.889 11.962 ( -11.898 -1.150 11.288) 16.441 12.996 ( 1.740 -0.488 -1.050) 2.090 13.693 ( 3.044 -1.362 0.198) 3.341 13.764 ( 6.657 -0.307 -5.962) 8.942 14.156 ( -1.540 0.321 1.712) 2.325 16.435 ( -4.917 -4.505 -3.796) 7.673 17.001 ( 0.734 -2.058 0.118) 2.188 17.664 ( -13.187 13.539 2.799) 19.106 18.078 ( -7.582 9.360 9.483) 15.330 19.911 ( 13.923 -11.719 -7.584) 19.715 22.659 ( 1.630 -1.619 -1.106) 2.549 ======================= Grid point 383 (177/336) ======================= q-point: (-0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -17.289 -12.497 4.895) 21.887 2.029 ( -6.488 4.010 24.456) 25.618 2.559 ( -9.589 12.910 -0.371) 16.086 3.067 ( -19.241 5.674 11.465) 23.105 3.969 ( 8.380 -2.070 -2.456) 8.974 4.675 ( 4.695 0.984 -10.123) 11.202 4.835 ( 5.468 -1.163 -1.951) 5.921 5.108 ( 2.058 1.615 -0.875) 2.759 5.237 ( 8.455 3.628 -0.419) 9.210 6.214 ( 14.455 -9.745 4.721) 18.061 6.268 ( -3.561 -7.606 -3.434) 9.073 6.403 ( 3.263 -5.859 -0.773) 6.751 6.619 ( 10.636 -8.111 -4.955) 14.264 6.929 ( -1.126 5.818 -5.613) 8.162 7.200 ( -0.242 4.515 -2.152) 5.007 7.663 ( 2.794 8.006 -3.063) 9.016 7.797 ( 3.585 1.604 4.307) 5.829 8.288 ( -3.906 -5.307 -1.262) 6.709 8.299 ( -5.783 -11.602 -0.748) 12.985 8.558 ( 7.566 1.545 2.272) 8.049 8.745 ( -0.575 5.518 1.812) 5.836 9.605 ( 0.259 4.882 -8.077) 9.442 9.749 ( 2.647 -1.619 5.159) 6.020 10.323 ( -6.344 2.807 2.824) 7.490 11.504 ( -8.027 -2.876 -0.338) 8.533 11.854 ( -11.336 -0.628 9.949) 15.095 13.004 ( 2.352 1.432 -4.047) 4.895 13.748 ( 1.062 -2.624 -0.277) 2.844 13.834 ( 5.986 1.417 -3.384) 7.021 14.152 ( 0.532 0.212 2.631) 2.692 16.376 ( -3.124 -2.186 -3.175) 4.962 16.961 ( -4.192 2.126 -3.911) 6.115 17.361 ( -12.605 11.151 4.841) 17.512 17.916 ( -10.241 8.257 8.563) 15.697 20.218 ( 15.880 -12.218 -6.524) 21.072 22.674 ( -0.046 -0.856 -1.843) 2.032 ======================= Grid point 384 (178/336) ======================= q-point: (-0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -16.255 -11.425 14.177) 24.407 1.965 ( -13.843 18.430 20.100) 30.583 2.360 ( -3.432 4.155 15.280) 16.202 2.757 ( -21.126 2.415 6.909) 22.358 4.155 ( 12.030 -1.940 1.439) 12.271 4.571 ( -0.870 7.504 -15.334) 17.094 4.969 ( 7.791 -2.664 3.330) 8.882 5.201 ( 6.658 -4.949 -1.539) 8.437 5.343 ( 8.267 2.253 -0.841) 8.610 6.250 ( -4.732 -6.912 -2.098) 8.635 6.425 ( 0.192 -8.098 -0.433) 8.111 6.635 ( 8.786 -8.583 3.352) 12.732 6.788 ( 4.998 3.181 -1.607) 6.138 6.866 ( 9.384 -0.707 -5.912) 11.114 7.155 ( 2.651 2.015 -4.352) 5.480 7.651 ( 5.557 6.271 -1.270) 8.475 7.918 ( 9.207 0.622 5.653) 10.822 8.252 ( -3.974 -4.444 -5.342) 8.006 8.264 ( -11.544 -9.964 0.936) 15.278 8.688 ( 1.979 5.074 0.633) 5.483 8.723 ( 6.559 -0.111 7.915) 10.280 9.516 ( 0.060 4.091 -6.028) 7.285 9.844 ( 4.330 -0.118 3.051) 5.298 10.180 ( -10.116 2.348 0.459) 10.395 11.386 ( -8.824 -3.145 -1.399) 9.472 11.687 ( -12.454 5.860 3.034) 14.094 13.022 ( 4.539 -0.156 -4.688) 6.527 13.766 ( -1.741 -2.051 0.779) 2.801 13.879 ( 3.561 2.191 -1.884) 4.586 14.233 ( 5.806 -2.296 5.740) 8.481 16.350 ( 0.742 -0.656 -2.540) 2.726 16.828 ( -4.251 3.810 -2.814) 6.364 17.077 ( -13.169 12.012 3.063) 18.086 17.695 ( -14.172 6.033 6.028) 16.540 20.561 ( 15.973 -12.054 -4.472) 20.505 22.655 ( -1.645 -0.479 -1.801) 2.485 ======================= Grid point 385 (179/336) ======================= q-point: (-0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -5.617 -9.393 19.751) 22.580 1.597 ( -14.305 22.609 17.119) 31.762 2.393 ( -15.320 0.023 0.423) 15.326 2.529 ( -4.664 0.671 32.099) 32.443 4.348 ( 1.756 -0.213 -9.367) 9.533 4.416 ( 7.604 3.638 -3.365) 9.076 5.149 ( 8.115 -1.747 5.167) 9.777 5.349 ( 6.846 -5.676 -3.708) 9.635 5.436 ( 7.368 3.121 -2.556) 8.400 6.192 ( -8.452 -5.392 -1.227) 10.100 6.500 ( -3.027 -5.413 0.381) 6.214 6.603 ( -1.168 3.781 2.218) 4.536 6.863 ( 5.337 2.254 -8.841) 10.570 7.119 ( 13.943 -6.667 1.807) 15.560 7.225 ( 6.927 -0.623 -1.195) 7.057 7.688 ( 3.858 2.442 0.352) 4.580 8.050 ( -8.684 -0.326 3.621) 9.414 8.186 ( -4.148 -2.448 -5.179) 7.072 8.210 ( 7.675 -4.845 -0.163) 9.078 8.677 ( 2.670 1.124 -1.114) 3.103 8.903 ( 6.789 0.546 10.740) 12.718 9.478 ( 3.307 1.977 -4.789) 6.146 9.911 ( 0.299 0.035 1.031) 1.074 9.951 ( -12.792 2.242 -3.431) 13.433 11.282 ( -5.565 -1.337 -1.753) 5.986 11.408 ( -11.046 8.934 -1.265) 14.263 13.087 ( 4.588 -1.988 -4.772) 6.912 13.748 ( -2.462 -0.617 1.699) 3.054 13.888 ( 1.040 1.163 -1.648) 2.270 14.431 ( 7.964 -4.130 7.875) 11.937 16.390 ( 5.710 0.171 -1.754) 5.976 16.750 ( -12.334 5.635 1.531) 13.646 16.799 ( 3.831 6.711 1.669) 7.905 17.438 ( -14.952 3.340 2.453) 15.516 20.851 ( 9.226 -8.199 -2.820) 12.661 22.612 ( -2.949 -0.229 -0.923) 3.098 ======================= Grid point 387 (180/336) ======================= q-point: ( 0.09 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -4.366 -0.000 2.085) 4.838 1.847 ( 15.565 0.000 16.159) 22.436 2.474 ( 18.966 0.000 15.449) 24.462 3.095 ( 7.069 0.000 12.719) 14.551 4.035 ( 2.139 0.000 -10.865) 11.073 4.800 ( -1.354 -0.000 -2.525) 2.865 5.244 ( -12.362 -0.000 0.331) 12.366 5.485 ( 2.759 0.000 -8.866) 9.286 5.604 ( 5.588 0.000 -4.886) 7.423 5.936 ( -2.434 -0.000 9.125) 9.444 6.142 ( -5.517 -0.000 5.011) 7.453 6.864 ( -4.330 -0.000 2.320) 4.912 6.873 ( -0.069 -0.000 -4.440) 4.440 7.011 ( -0.636 -0.000 -12.707) 12.723 7.161 ( -15.736 -0.000 -3.690) 16.163 7.815 ( 0.436 0.000 -1.259) 1.333 7.828 ( 6.609 0.000 13.200) 14.762 7.928 ( -0.241 -0.000 -3.200) 3.209 8.438 ( -4.997 -0.000 0.379) 5.011 8.648 ( -8.262 -0.000 -12.046) 14.607 9.281 ( 3.694 0.000 2.624) 4.532 9.610 ( -1.097 -0.000 -7.691) 7.769 9.792 ( 16.403 0.000 6.196) 17.534 9.834 ( -5.362 -0.000 4.370) 6.918 11.191 ( 9.427 0.000 0.539) 9.442 11.613 ( 12.573 0.000 2.817) 12.885 12.873 ( -8.992 -0.000 -3.459) 9.634 13.753 ( 0.927 0.000 2.377) 2.551 13.801 ( -2.544 -0.000 -2.314) 3.439 14.490 ( -8.508 -0.000 2.981) 9.016 16.172 ( -6.075 -0.000 -1.274) 6.207 16.860 ( -5.791 -0.000 -4.157) 7.129 17.043 ( 20.161 0.000 2.771) 20.351 17.954 ( 28.723 0.000 -1.376) 28.756 20.565 ( -19.006 -0.000 1.692) 19.082 22.444 ( -3.473 -0.000 0.149) 3.476 ======================= Grid point 388 (181/336) ======================= q-point: ( 0.18 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -3.843 5.320 1.552) 6.744 2.240 ( 15.989 -7.040 12.022) 21.206 2.799 ( 8.321 -1.550 16.179) 18.259 3.291 ( 10.947 -1.257 0.018) 11.019 4.049 ( 4.589 -3.160 -7.374) 9.242 4.672 ( -8.058 1.101 -10.673) 13.418 4.992 ( -17.358 1.763 0.809) 17.466 5.479 ( 4.742 4.007 -6.318) 8.858 5.653 ( 1.886 -1.541 -4.397) 5.027 5.934 ( 0.320 8.100 10.179) 13.012 6.137 ( -4.065 -7.676 4.000) 9.563 6.681 ( -10.565 9.951 -4.002) 15.055 6.837 ( -3.093 0.230 0.720) 3.184 6.906 ( -10.230 -5.142 -5.777) 12.824 6.989 ( 2.389 -0.682 -12.415) 12.661 7.736 ( -0.745 3.297 -8.292) 8.955 7.944 ( 1.668 2.841 4.189) 5.329 8.048 ( 7.979 -0.391 13.022) 15.277 8.326 ( -6.245 -1.206 -7.023) 9.475 8.502 ( -5.038 -1.978 -1.944) 5.751 9.328 ( -1.618 -2.735 0.062) 3.178 9.489 ( -4.200 1.855 -10.868) 11.798 9.795 ( -1.539 0.406 4.321) 4.605 10.099 ( 13.655 -1.422 7.644) 15.713 11.395 ( 12.389 -1.076 2.550) 12.694 11.860 ( 10.679 -5.258 7.412) 14.022 12.700 ( -8.358 0.982 -3.978) 9.309 13.735 ( -2.880 0.779 -2.590) 3.951 13.783 ( 0.849 0.689 2.296) 2.543 14.345 ( -9.088 1.587 0.538) 9.241 16.122 ( -2.128 -4.313 -0.774) 4.871 16.778 ( -3.184 -2.569 -3.772) 5.565 17.404 ( 22.763 1.439 3.139) 23.023 18.385 ( 22.214 -3.644 2.226) 22.620 20.194 ( -22.925 6.098 -2.586) 23.863 22.402 ( -1.927 -0.582 0.479) 2.069 ======================= Grid point 389 (182/336) ======================= q-point: ( 0.27 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -4.852 7.654 -0.165) 9.064 2.592 ( 12.348 -4.914 7.701) 15.360 2.980 ( 1.744 -1.151 14.075) 14.229 3.421 ( 4.364 -2.298 -6.060) 7.813 4.147 ( 6.262 -6.268 -4.711) 10.034 4.428 ( -10.275 1.432 -14.516) 17.842 4.704 ( -16.237 2.105 2.739) 16.600 5.472 ( 5.187 5.720 -7.839) 11.004 5.612 ( -3.455 2.331 -2.738) 4.987 5.938 ( -0.712 4.356 7.035) 8.305 6.151 ( -4.443 -3.742 2.279) 6.240 6.382 ( -7.428 9.995 -6.293) 13.953 6.761 ( -10.007 -6.907 -6.488) 13.782 6.842 ( -0.361 -2.821 4.793) 5.573 6.977 ( 7.072 3.296 -12.910) 15.084 7.672 ( 1.069 1.066 -5.968) 6.155 7.953 ( 1.054 4.157 2.638) 5.035 8.181 ( 0.373 -0.585 -2.265) 2.369 8.279 ( 3.415 -1.605 5.012) 6.274 8.466 ( -3.009 -1.404 3.805) 5.050 9.208 ( -10.035 -1.488 -12.067) 15.765 9.413 ( -0.451 -0.263 0.543) 0.753 9.814 ( 1.041 -0.552 1.408) 1.836 10.333 ( 8.976 0.015 7.008) 11.388 11.591 ( 10.154 2.391 1.956) 10.614 12.103 ( 1.496 -7.849 14.589) 16.634 12.571 ( -2.593 -1.926 -6.565) 7.316 13.670 ( -1.584 0.901 -3.274) 3.747 13.786 ( -0.000 3.580 1.809) 4.012 14.207 ( -6.677 -0.326 -0.326) 6.693 16.167 ( 1.089 -6.965 -0.106) 7.050 16.752 ( -1.665 -3.964 -2.467) 4.957 17.760 ( 22.501 5.417 2.907) 23.326 18.752 ( 13.254 -6.244 8.463) 16.920 19.705 ( -23.872 8.847 -9.341) 27.119 22.408 ( 0.916 -1.613 1.015) 2.115 ======================= Grid point 390 (183/336) ======================= q-point: ( 0.36 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -4.335 7.745 -2.061) 9.112 2.779 ( 3.642 2.024 2.357) 4.787 3.045 ( -3.521 -0.939 8.067) 8.852 3.420 ( -2.470 -2.337 -0.904) 3.518 4.145 ( -7.726 2.096 -14.249) 16.344 4.300 ( 1.983 -9.017 -4.619) 10.323 4.520 ( -6.333 -1.086 3.681) 7.405 5.424 ( 1.074 6.196 -9.358) 11.274 5.520 ( 0.376 5.648 -1.601) 5.883 5.841 ( -7.303 3.905 -0.124) 8.283 6.095 ( -5.464 -0.134 2.197) 5.891 6.270 ( 3.360 2.029 -5.161) 6.484 6.604 ( -10.144 -4.063 -8.209) 13.668 6.912 ( 6.100 4.220 0.266) 7.422 7.039 ( 6.136 -5.095 -2.012) 8.226 7.672 ( 1.832 -0.801 -2.653) 3.322 7.940 ( 1.709 4.918 0.525) 5.233 8.176 ( 1.133 -3.574 -6.029) 7.100 8.367 ( -2.393 -4.003 4.023) 6.159 8.465 ( 1.675 5.506 6.086) 8.376 8.984 ( -8.646 -1.549 -12.014) 14.883 9.435 ( 0.195 -1.642 3.605) 3.966 9.839 ( 1.373 0.005 -1.251) 1.857 10.466 ( 3.657 0.980 4.767) 6.088 11.684 ( 4.623 5.511 1.712) 7.394 12.167 ( -9.310 -2.151 13.683) 16.689 12.619 ( 3.264 -11.035 -2.922) 11.873 13.644 ( 2.538 0.974 -3.837) 4.702 13.743 ( -0.092 5.519 0.287) 5.528 14.144 ( -3.387 -2.693 0.819) 4.404 16.267 ( 2.145 -7.497 0.128) 7.799 16.767 ( -0.377 -4.762 -0.165) 4.780 18.037 ( 18.669 10.458 2.337) 21.526 18.944 ( -13.559 3.450 20.612) 24.912 19.261 ( -3.080 -2.707 -22.218) 22.593 22.470 ( 3.314 -2.348 1.225) 4.242 ======================= Grid point 391 (184/336) ======================= q-point: (-0.55 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -1.666 4.069 -2.568) 5.092 2.657 ( -10.846 9.021 -2.719) 14.367 3.002 ( -6.910 0.489 6.479) 9.485 3.418 ( -2.623 -1.071 6.915) 7.473 3.947 ( -4.059 0.673 -12.220) 12.894 4.358 ( 0.159 -7.478 -1.681) 7.666 4.570 ( 3.350 -6.888 -0.955) 7.719 5.303 ( -0.761 5.031 -9.331) 10.628 5.485 ( 3.406 9.084 -1.940) 9.894 5.739 ( -1.228 0.377 -0.110) 1.289 6.041 ( -3.275 -2.388 2.651) 4.844 6.300 ( 4.505 -0.864 -7.482) 8.776 6.430 ( -9.057 -2.651 -6.790) 11.626 6.976 ( 9.635 6.617 -2.833) 12.027 7.187 ( 2.161 -6.929 4.980) 8.802 7.699 ( 1.187 -1.425 -0.971) 2.093 7.928 ( 2.930 5.108 -0.938) 5.963 8.200 ( 1.434 -3.948 -6.067) 7.379 8.298 ( -10.049 -3.350 -1.954) 10.772 8.486 ( 3.826 6.356 3.595) 8.244 8.857 ( -2.880 -1.714 -4.115) 5.307 9.495 ( 2.341 -1.868 4.089) 5.069 9.834 ( 0.312 1.273 -3.304) 3.554 10.496 ( -0.707 1.639 2.666) 3.208 11.672 ( -0.135 6.195 2.516) 6.687 12.073 ( -11.851 -0.471 10.005) 15.516 12.769 ( 0.667 -13.051 1.419) 13.145 13.688 ( 6.575 0.573 -4.745) 8.129 13.707 ( 2.240 5.097 -0.188) 5.571 14.138 ( -2.156 -2.817 1.716) 3.940 16.351 ( 0.311 -5.334 -0.302) 5.352 16.833 ( 1.547 -5.583 2.573) 6.339 18.159 ( 8.468 14.893 -0.292) 17.134 18.538 ( -23.580 10.889 6.646) 26.809 19.404 ( 10.068 -13.385 -7.029) 18.164 22.558 ( 3.744 -2.248 0.767) 4.434 ======================= Grid point 392 (185/336) ======================= q-point: (-0.45 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -1.166 -1.179 -1.146) 2.016 2.338 ( -14.491 10.749 4.310) 18.550 2.894 ( -8.593 3.523 5.496) 10.791 3.394 ( -7.051 2.823 9.423) 12.103 3.869 ( 2.313 -0.291 -7.387) 7.746 4.463 ( 4.589 -7.956 -1.218) 9.265 4.677 ( 3.235 -7.211 -3.988) 8.853 5.227 ( 2.889 2.744 -8.736) 9.602 5.406 ( 0.352 11.073 -2.577) 11.375 5.798 ( 5.516 -4.778 0.888) 7.352 6.092 ( 0.969 -5.629 5.718) 8.083 6.277 ( -3.486 -4.059 -10.955) 12.192 6.365 ( 4.108 -1.759 -3.370) 5.598 7.049 ( 8.232 5.939 -3.949) 10.892 7.262 ( -2.537 -3.287 4.449) 6.085 7.715 ( 0.072 -0.979 -1.084) 1.463 7.927 ( 3.310 4.715 -1.175) 5.879 8.141 ( -8.051 -2.762 -3.764) 9.307 8.218 ( -1.076 -4.685 -4.524) 6.601 8.520 ( 4.247 3.619 2.735) 6.214 8.836 ( -0.471 0.263 0.205) 0.577 9.593 ( 4.693 -1.736 3.859) 6.319 9.784 ( -1.081 2.852 -4.744) 5.640 10.458 ( -3.458 2.105 2.169) 4.593 11.613 ( -2.077 5.432 2.083) 6.178 11.936 ( -13.342 -1.541 10.309) 16.931 12.889 ( -0.411 -10.240 1.363) 10.339 13.707 ( 3.186 1.813 -3.285) 4.922 13.780 ( 8.570 2.257 -2.602) 9.236 14.138 ( -2.116 -2.005 1.956) 3.510 16.370 ( -1.615 -2.145 -0.199) 2.692 16.934 ( 1.753 -4.893 3.057) 6.030 17.926 ( -14.750 13.761 -2.957) 20.388 18.279 ( -4.630 11.900 8.175) 15.162 19.665 ( 11.099 -14.300 -6.228) 19.143 22.628 ( 2.337 -1.554 -0.160) 2.811 ======================= Grid point 393 (186/336) ======================= q-point: (-0.36 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -6.276 -1.648 1.415) 6.641 2.139 ( -6.686 8.016 19.784) 22.369 2.731 ( -8.960 6.213 2.223) 11.128 3.220 ( -15.444 8.965 10.614) 20.773 3.940 ( 8.577 -0.853 -1.112) 8.691 4.617 ( 6.800 -6.421 -3.044) 9.835 4.767 ( 3.641 -6.285 -4.219) 8.400 5.199 ( 1.570 5.724 -7.398) 9.485 5.311 ( 2.409 4.315 -2.398) 5.493 6.006 ( 9.066 -10.932 1.100) 14.245 6.143 ( -2.970 -4.599 -0.402) 5.490 6.286 ( 2.997 -6.759 -1.943) 7.645 6.497 ( 11.256 -4.824 -2.437) 12.487 7.031 ( -1.257 5.046 -5.362) 7.469 7.254 ( 0.176 1.469 -0.724) 1.648 7.713 ( -0.127 -0.773 -1.602) 1.783 7.921 ( 4.053 7.250 -0.298) 8.311 8.077 ( -6.215 -8.489 1.963) 10.702 8.206 ( -2.296 -4.478 -4.711) 6.893 8.596 ( 6.192 2.250 3.976) 7.695 8.816 ( -1.241 1.969 0.522) 2.385 9.695 ( -3.406 2.438 -1.318) 4.391 9.719 ( 7.712 0.448 -0.424) 7.737 10.374 ( -6.092 2.558 2.199) 6.963 11.521 ( -4.289 4.737 -0.330) 6.399 11.826 ( -10.593 -2.158 12.058) 16.194 12.964 ( 0.159 -5.904 -0.995) 5.990 13.722 ( 2.108 -0.176 -4.005) 4.529 13.877 ( 7.908 2.975 -2.044) 8.693 14.135 ( -1.684 -1.816 2.341) 3.408 16.355 ( -1.101 0.146 0.556) 1.242 16.977 ( -1.676 -0.837 -0.286) 1.896 17.575 ( -12.549 11.235 1.695) 16.929 18.115 ( -7.544 12.637 5.430) 15.687 19.953 ( 12.236 -15.479 -6.197) 20.682 22.657 ( 0.231 -0.895 -1.021) 1.377 ======================= Grid point 394 (187/336) ======================= q-point: (-0.27 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -4.356 1.897 10.083) 11.146 2.179 ( -2.135 6.388 28.994) 29.766 2.519 ( -8.141 9.718 0.350) 12.682 2.883 ( -21.480 11.796 12.047) 27.307 4.122 ( 11.274 -1.366 2.847) 11.708 4.688 ( 3.056 2.490 -13.697) 14.253 4.888 ( 6.192 -6.049 1.918) 8.866 5.137 ( 1.657 0.147 -2.162) 2.727 5.367 ( 6.239 -0.714 -2.421) 6.730 6.093 ( -5.748 -8.246 -2.780) 10.429 6.271 ( 5.458 -7.769 0.294) 9.499 6.450 ( 9.691 -10.099 1.350) 14.061 6.760 ( 13.892 -7.009 0.251) 15.562 6.890 ( -5.490 4.135 -4.095) 8.000 7.225 ( 2.041 4.468 -6.385) 8.056 7.712 ( 1.448 -0.111 -2.388) 2.795 7.955 ( 4.047 0.280 1.876) 4.470 8.075 ( -5.731 -5.789 4.150) 9.142 8.174 ( -2.809 -3.779 -4.827) 6.743 8.719 ( 3.810 -0.380 6.683) 7.702 8.776 ( 1.642 3.803 1.010) 4.264 9.601 ( -1.249 4.435 -3.867) 6.015 9.840 ( 6.085 -0.226 1.812) 6.353 10.230 ( -10.153 2.770 0.351) 10.530 11.400 ( -4.006 4.468 -0.773) 6.050 11.759 ( -7.573 1.942 9.066) 11.971 12.998 ( 1.444 -2.757 -4.178) 5.210 13.727 ( -0.165 -1.758 -2.161) 2.791 13.936 ( 4.483 3.777 -2.129) 6.237 14.172 ( 1.323 -4.054 4.106) 5.920 16.354 ( 1.676 1.399 1.216) 2.499 16.907 ( -2.687 3.767 -2.029) 5.052 17.316 ( -9.398 12.224 2.669) 15.649 17.869 ( -11.005 12.356 2.250) 16.698 20.270 ( 11.321 -17.956 -4.073) 21.614 22.644 ( -1.674 -0.604 -1.294) 2.200 ======================= Grid point 395 (188/336) ======================= q-point: (-0.18 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 7.573 4.615 17.334) 19.471 2.063 ( -11.929 24.452 15.276) 31.202 2.404 ( -10.907 1.533 5.567) 12.341 2.577 ( -9.292 5.748 25.273) 27.534 4.331 ( 9.380 -1.242 1.910) 9.653 4.540 ( -0.115 8.077 -14.898) 16.947 5.081 ( 7.852 -5.392 3.974) 10.321 5.226 ( 4.922 -6.729 -1.331) 8.442 5.467 ( 6.612 -0.696 -2.004) 6.944 6.038 ( -8.735 -8.790 -3.159) 12.788 6.402 ( 3.681 -4.903 1.447) 6.299 6.645 ( -0.985 -0.876 3.141) 3.406 6.823 ( 3.456 -6.772 -3.665) 8.440 7.031 ( 11.008 -3.462 -1.764) 11.674 7.194 ( 4.857 0.225 -4.370) 6.538 7.721 ( 0.251 -0.098 -2.265) 2.281 7.968 ( -11.929 -9.591 -0.464) 15.314 8.113 ( 0.352 -3.248 -4.208) 5.327 8.161 ( 8.547 1.439 4.461) 9.747 8.699 ( -2.491 0.724 1.863) 3.193 8.923 ( 9.273 1.488 9.269) 13.195 9.538 ( 1.362 3.900 -3.843) 5.642 9.927 ( 3.430 0.875 1.034) 3.688 9.997 ( -13.796 2.875 -3.255) 14.463 11.324 ( 0.930 5.401 0.030) 5.481 11.605 ( -8.725 10.668 1.401) 13.853 13.027 ( 2.211 -3.776 -5.447) 6.987 13.725 ( -1.552 -1.829 0.603) 2.474 13.930 ( 0.914 3.196 -2.050) 3.905 14.307 ( 3.787 -8.028 6.569) 11.043 16.405 ( 5.735 1.816 1.438) 6.185 16.839 ( -2.370 4.566 0.934) 5.228 17.064 ( -2.047 16.925 -1.079) 17.083 17.572 ( -12.369 11.311 -0.664) 16.774 20.579 ( 6.075 -19.467 -1.044) 20.420 22.604 ( -2.929 -0.503 -0.784) 3.074 ======================= Grid point 396 (189/336) ======================= q-point: (-0.09 0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 14.889 8.808 16.782) 24.102 1.753 ( -4.394 20.826 16.400) 26.870 2.146 ( -14.771 3.242 4.810) 15.869 2.719 ( 1.447 0.226 28.961) 28.998 4.274 ( -2.137 6.392 -15.305) 16.723 4.592 ( 9.261 -0.933 3.977) 10.122 5.266 ( 6.492 -4.658 2.073) 8.254 5.354 ( 3.782 -6.403 -2.512) 7.850 5.554 ( 6.354 1.783 -3.199) 7.334 5.956 ( -9.667 -9.579 -1.114) 13.654 6.409 ( -6.894 3.333 2.993) 8.222 6.677 ( 4.509 -3.315 3.755) 6.739 6.914 ( 4.496 0.497 -5.383) 7.031 7.106 ( 0.197 -6.759 -6.752) 9.555 7.376 ( 8.184 -5.362 3.772) 10.486 7.676 ( -5.639 -2.292 -2.061) 6.427 7.830 ( -10.020 -1.869 2.172) 10.422 8.067 ( -2.243 -2.338 -7.231) 7.924 8.391 ( 8.656 -3.423 3.514) 9.950 8.725 ( 5.918 -1.439 0.071) 6.091 9.091 ( 6.420 2.918 9.346) 11.708 9.525 ( 1.901 0.546 -4.430) 4.851 9.720 ( -9.367 5.215 -4.838) 11.762 9.955 ( -0.480 1.256 1.481) 2.000 11.311 ( 1.318 13.536 -3.306) 13.996 11.355 ( -2.217 6.221 0.312) 6.612 13.055 ( -0.720 -4.818 -5.314) 7.209 13.722 ( -1.242 -0.979 1.750) 2.359 13.893 ( -0.948 1.872 -1.676) 2.686 14.481 ( 0.894 -9.372 6.937) 11.694 16.522 ( 8.192 1.620 2.070) 8.603 16.619 ( -10.939 9.457 -1.126) 14.504 17.124 ( 23.066 10.894 -0.696) 25.519 17.273 ( -11.812 7.693 -2.192) 14.266 20.775 ( -3.500 -16.046 1.507) 16.492 22.554 ( -3.374 -0.320 -0.062) 3.390 ======================= Grid point 399 (190/336) ======================= q-point: ( 0.18 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -5.610 -0.000 1.307) 5.760 2.535 ( 15.445 0.000 8.650) 17.702 2.970 ( 2.253 0.000 14.795) 14.965 3.399 ( 5.191 0.000 -7.195) 8.872 4.083 ( 5.841 0.000 -4.698) 7.496 4.446 ( -9.894 -0.000 -15.227) 18.159 4.719 ( -17.899 -0.000 2.248) 18.040 5.535 ( 4.865 0.000 -6.757) 8.326 5.618 ( -3.274 -0.000 -2.654) 4.214 6.023 ( -4.009 -0.000 -1.214) 4.189 6.080 ( 0.874 0.000 10.350) 10.387 6.568 ( -13.878 -0.000 -8.642) 16.349 6.603 ( -5.348 -0.000 -2.177) 5.774 6.798 ( -2.794 -0.000 2.329) 3.637 7.035 ( 8.281 0.000 -11.531) 14.196 7.677 ( 0.560 0.000 -11.185) 11.199 8.003 ( -0.188 -0.000 5.390) 5.393 8.166 ( -2.450 -0.000 -3.707) 4.444 8.253 ( 3.140 0.000 6.854) 7.538 8.465 ( 0.604 0.000 5.408) 5.441 9.184 ( -9.969 -0.000 -10.586) 14.541 9.420 ( -0.537 -0.000 -1.930) 2.004 9.808 ( 0.922 0.000 1.894) 2.106 10.332 ( 9.753 0.000 6.541) 11.743 11.630 ( 13.619 0.000 3.324) 14.019 12.008 ( 2.739 0.000 12.470) 12.768 12.555 ( -6.367 -0.000 -4.956) 8.068 13.679 ( -1.400 -0.000 -4.045) 4.281 13.823 ( 1.003 0.000 3.076) 3.236 14.202 ( -8.454 -0.000 -1.274) 8.550 16.099 ( 1.609 0.000 0.730) 1.766 16.714 ( -1.326 -0.000 -2.137) 2.515 17.818 ( 25.283 0.000 1.795) 25.347 18.684 ( 13.442 0.000 7.260) 15.277 19.790 ( -26.249 -0.000 -8.236) 27.511 22.392 ( 0.742 0.000 1.024) 1.265 ======================= Grid point 400 (191/336) ======================= q-point: ( 0.27 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -5.860 4.516 -0.109) 7.399 2.795 ( 10.436 0.051 4.981) 11.564 3.035 ( -3.798 -0.234 7.616) 8.514 3.383 ( -2.143 -1.171 -3.135) 3.974 4.162 ( 3.779 -2.820 -4.860) 6.772 4.199 ( -7.064 0.873 -15.184) 16.770 4.486 ( -12.702 -1.725 3.544) 13.299 5.505 ( -5.627 2.259 -2.567) 6.585 5.573 ( 4.228 0.840 -6.164) 7.522 5.909 ( -7.386 2.693 -2.829) 8.356 6.084 ( -5.198 -1.057 0.295) 5.312 6.339 ( -2.214 3.126 -9.476) 10.221 6.573 ( -1.890 1.582 0.950) 2.642 6.822 ( -0.587 -7.375 7.765) 10.725 7.095 ( 10.463 4.399 -11.322) 16.032 7.641 ( 1.302 -1.738 -8.046) 8.334 8.006 ( -0.868 2.013 2.429) 3.272 8.127 ( 0.508 -1.397 -3.952) 4.222 8.304 ( -2.154 -1.881 4.451) 5.290 8.561 ( 5.126 3.209 9.528) 11.285 8.941 ( -10.725 -1.994 -13.689) 17.504 9.425 ( 0.577 0.045 3.036) 3.091 9.839 ( 2.020 -0.027 -0.788) 2.168 10.476 ( 4.344 0.204 3.837) 5.800 11.817 ( 9.933 7.133 2.630) 12.508 12.089 ( -6.718 -5.523 15.732) 17.976 12.459 ( -3.550 -4.689 -5.065) 7.762 13.657 ( 2.601 0.396 -4.888) 5.551 13.837 ( 0.215 3.430 2.705) 4.373 14.093 ( -4.775 -2.142 -0.797) 5.294 16.169 ( 3.967 -2.692 2.130) 5.246 16.703 ( -0.383 -1.860 -0.044) 1.900 18.205 ( 24.515 5.921 -0.168) 25.221 18.900 ( 2.073 -4.044 14.849) 15.529 19.284 ( -24.317 2.207 -16.061) 29.226 22.439 ( 3.452 -0.853 1.473) 3.849 ======================= Grid point 401 (192/336) ======================= q-point: (-0.64 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -3.086 6.523 -2.226) 7.552 2.816 ( -7.049 7.644 -3.329) 10.918 3.000 ( -2.619 -0.919 5.708) 6.347 3.372 ( -3.438 -3.366 7.402) 8.828 3.989 ( -2.921 3.633 -13.461) 14.245 4.222 ( -0.431 -6.183 -1.559) 6.391 4.432 ( -1.299 -7.257 -0.118) 7.373 5.362 ( -6.851 1.319 -4.446) 8.272 5.596 ( 5.349 3.322 -7.430) 9.739 5.758 ( -4.896 1.613 -0.772) 5.213 5.998 ( -5.663 -2.869 -1.410) 6.503 6.286 ( 3.583 -0.904 -13.963) 14.444 6.493 ( -2.213 9.582 4.053) 10.636 6.982 ( 1.995 -9.669 9.618) 13.783 7.154 ( 10.190 6.250 -8.137) 14.461 7.647 ( 0.358 -3.873 -3.992) 5.574 7.977 ( -1.327 0.776 -2.119) 2.618 8.138 ( 0.262 -2.346 -2.363) 3.340 8.284 ( -2.521 1.364 0.265) 2.879 8.608 ( 0.113 5.820 2.486) 6.330 8.790 ( -2.935 -4.777 -4.001) 6.888 9.473 ( 2.155 -0.554 5.056) 5.524 9.854 ( 1.685 0.831 -3.143) 3.661 10.518 ( -0.216 0.707 1.613) 1.774 11.836 ( 1.312 10.647 5.185) 11.915 12.063 ( -9.942 -0.527 8.861) 13.328 12.498 ( -1.343 -14.742 0.070) 14.803 13.694 ( 5.868 0.412 -5.349) 7.951 13.813 ( 1.259 5.224 1.729) 5.645 14.075 ( -1.642 -3.510 0.956) 3.992 16.279 ( 3.938 -2.396 2.961) 5.478 16.739 ( 0.700 -3.963 2.547) 4.763 18.439 ( 14.879 14.464 -3.607) 21.062 18.703 ( -26.300 6.225 4.471) 27.394 19.146 ( 5.712 -13.599 -4.479) 15.415 22.524 ( 4.344 -1.266 1.392) 4.734 ======================= Grid point 402 (193/336) ======================= q-point: (-0.55 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 1.246 6.320 -3.164) 7.177 2.539 ( -12.656 9.982 1.156) 16.160 2.959 ( -5.968 3.933 6.739) 9.823 3.393 ( -5.032 -3.227 8.449) 10.350 3.893 ( 3.044 3.248 -6.912) 8.221 4.303 ( 3.004 -8.625 -0.066) 9.134 4.513 ( 1.798 -9.724 -3.879) 10.623 5.237 ( -3.573 -1.655 -7.211) 8.216 5.560 ( 1.029 5.445 -9.366) 10.883 5.737 ( 1.808 -1.707 0.571) 2.551 5.991 ( -0.283 -5.401 3.959) 6.703 6.254 ( 2.347 0.384 -15.290) 15.474 6.417 ( 1.393 8.495 4.409) 9.672 7.148 ( 0.735 -7.903 7.823) 11.144 7.183 ( 6.072 7.176 -5.223) 10.753 7.669 ( -0.279 -4.425 -2.377) 5.031 7.914 ( -4.205 -2.183 -5.190) 7.027 8.137 ( -2.068 -3.624 -1.762) 4.529 8.214 ( 0.488 6.882 -3.409) 7.695 8.578 ( 0.904 1.609 1.821) 2.593 8.814 ( 0.381 -1.785 1.518) 2.374 9.562 ( 3.269 -1.479 6.111) 7.087 9.836 ( 1.267 2.516 -5.443) 6.129 10.489 ( -3.005 1.262 1.365) 3.534 11.769 ( -0.830 10.314 5.595) 11.763 11.913 ( -13.557 -0.229 6.791) 15.164 12.647 ( 0.631 -14.906 1.900) 15.040 13.738 ( 3.594 1.524 -4.693) 6.105 13.836 ( 5.981 2.824 0.039) 6.614 14.094 ( -0.860 -2.364 1.464) 2.911 16.356 ( 2.031 0.497 3.408) 3.998 16.830 ( 1.752 -5.811 4.497) 7.554 18.154 ( -19.406 9.935 -6.547) 22.763 18.520 ( 0.415 13.810 6.015) 15.068 19.384 ( 9.285 -15.501 -4.609) 18.648 22.604 ( 3.016 -1.045 0.712) 3.270 ======================= Grid point 403 (194/336) ======================= q-point: (-0.45 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 3.263 7.298 -1.525) 8.138 2.318 ( -7.141 10.391 14.314) 19.075 2.834 ( -8.373 5.545 5.817) 11.605 3.337 ( -9.181 2.483 7.476) 12.098 3.943 ( 8.179 1.496 0.149) 8.316 4.466 ( 6.362 -9.072 -0.195) 11.082 4.613 ( 2.420 -9.743 -3.868) 10.759 5.203 ( 0.706 -5.387 -7.760) 9.473 5.423 ( -2.561 7.044 -10.219) 12.673 5.852 ( 7.333 -5.488 1.545) 9.288 6.089 ( 0.139 -3.862 4.819) 6.177 6.196 ( 2.524 -0.018 -8.117) 8.500 6.452 ( 7.023 0.881 -0.439) 7.092 7.105 ( -5.701 1.604 -2.784) 6.544 7.268 ( 4.865 0.992 0.592) 5.000 7.681 ( -0.412 -3.043 -3.522) 4.672 7.860 ( -4.326 -6.039 -0.993) 7.495 8.114 ( -3.058 -2.779 -4.797) 6.331 8.155 ( 2.788 6.944 0.313) 7.489 8.625 ( 3.486 0.319 3.724) 5.111 8.829 ( -0.632 -0.013 1.242) 1.393 9.662 ( 0.432 -2.521 7.044) 7.494 9.797 ( 4.161 4.370 -7.575) 9.685 10.417 ( -5.638 1.976 1.882) 6.263 11.665 ( -3.179 9.702 -0.949) 10.254 11.785 ( -9.231 -1.575 13.851) 16.719 12.799 ( 1.741 -11.073 1.017) 11.255 13.734 ( 1.413 1.372 -4.537) 4.946 13.923 ( 6.784 0.971 -1.365) 6.988 14.102 ( -1.029 -0.942 1.127) 1.794 16.385 ( 1.276 3.043 4.211) 5.350 16.927 ( 0.278 -4.371 3.440) 5.569 17.766 ( -13.921 8.905 -1.580) 16.601 18.371 ( -5.895 14.340 3.974) 16.005 19.656 ( 10.330 -15.905 -7.063) 20.238 22.642 ( 0.565 -0.622 -0.183) 0.860 ======================= Grid point 404 (195/336) ======================= q-point: (-0.36 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 6.716 10.807 4.803) 13.600 2.302 ( -0.270 7.637 25.310) 26.438 2.664 ( -9.325 6.729 4.202) 12.243 3.129 ( -14.105 11.642 7.577) 19.796 4.108 ( 10.484 -0.150 4.495) 11.408 4.630 ( 5.265 -7.154 -7.784) 11.810 4.749 ( 5.804 -8.574 2.674) 10.693 5.225 ( 0.900 5.469 -7.897) 9.648 5.277 ( -1.568 -6.816 -6.367) 9.458 6.010 ( 0.789 -0.512 -0.156) 0.953 6.133 ( 6.205 -6.708 0.075) 9.138 6.285 ( 5.887 -6.798 -0.605) 9.013 6.611 ( 8.173 -7.381 -0.320) 11.017 6.960 ( -6.411 2.773 -2.373) 7.377 7.296 ( 3.122 2.931 -5.489) 6.962 7.679 ( -0.325 -2.998 -4.241) 5.203 7.846 ( -6.065 -6.264 1.366) 8.826 8.074 ( -1.178 -2.818 -3.366) 4.546 8.162 ( 3.859 5.130 2.232) 6.796 8.704 ( 1.108 -1.290 4.131) 4.467 8.830 ( 2.297 2.228 3.577) 4.800 9.660 ( -2.875 1.321 0.925) 3.297 9.844 ( 6.948 0.896 -2.383) 7.399 10.282 ( -9.599 2.758 0.521) 10.001 11.524 ( -2.497 7.523 -0.333) 7.934 11.782 ( -2.852 1.589 13.364) 13.757 12.912 ( 2.096 -6.343 -1.556) 6.860 13.707 ( -0.606 -0.269 -3.990) 4.045 14.001 ( 5.197 1.726 -2.354) 5.961 14.099 ( -1.564 -2.411 1.619) 3.299 16.408 ( 2.759 4.267 5.000) 7.129 16.946 ( -1.520 0.112 0.928) 1.784 17.518 ( -7.691 9.367 2.235) 12.324 18.130 ( -8.336 14.718 0.544) 16.923 19.923 ( 7.958 -18.453 -6.448) 21.105 22.634 ( -1.683 -0.429 -0.738) 1.888 ======================= Grid point 405 (196/336) ======================= q-point: (-0.27 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 14.616 11.984 11.458) 22.103 2.395 ( -2.206 10.252 25.023) 27.131 2.470 ( -9.720 5.944 5.179) 12.515 2.802 ( -12.582 17.394 11.163) 24.196 4.311 ( 9.671 -0.958 5.102) 10.976 4.640 ( 1.125 0.420 -15.765) 15.811 4.974 ( 8.686 -5.627 5.777) 11.853 5.139 ( 0.369 -0.566 -1.791) 1.914 5.362 ( 2.063 -10.982 -4.366) 11.996 5.951 ( -4.349 0.654 -2.553) 5.085 6.310 ( 6.233 -5.357 0.504) 8.234 6.506 ( 8.257 -11.236 2.189) 14.114 6.729 ( -5.344 -6.368 -2.008) 8.553 6.930 ( 7.018 -3.594 1.307) 7.992 7.257 ( 2.079 4.011 -9.304) 10.342 7.677 ( -0.975 -4.073 -4.493) 6.142 7.797 ( -7.805 -6.903 0.581) 10.436 8.065 ( -0.887 -2.309 -4.433) 5.076 8.219 ( 6.105 3.749 4.690) 8.563 8.704 ( -2.642 0.162 3.738) 4.580 8.950 ( 8.398 1.178 8.654) 12.116 9.606 ( -0.359 3.027 -1.896) 3.590 9.919 ( 2.212 -1.421 -0.644) 2.707 10.068 ( -11.173 4.302 -2.685) 12.270 11.455 ( 2.455 7.694 0.886) 8.125 11.780 ( -1.785 7.924 8.623) 11.846 12.960 ( 0.872 -3.369 -5.257) 6.304 13.685 ( -1.414 -2.201 -0.880) 2.760 14.001 ( 0.799 4.071 -3.007) 5.124 14.155 ( 0.396 -7.844 3.670) 8.670 16.464 ( 5.712 4.496 5.384) 9.046 16.912 ( -2.361 2.892 1.679) 4.093 17.345 ( -0.945 12.741 0.250) 12.778 17.845 ( -7.701 16.518 -4.128) 18.687 20.175 ( 2.720 -22.457 -2.429) 22.751 22.595 ( -2.942 -0.464 -0.606) 3.040 ======================= Grid point 406 (197/336) ======================= q-point: (-0.18 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 18.238 8.847 11.495) 23.303 2.219 ( -14.971 19.216 12.305) 27.291 2.257 ( -4.663 14.168 8.596) 17.215 2.754 ( 2.427 4.569 23.386) 23.951 4.400 ( 0.160 5.276 -10.576) 11.820 4.585 ( 6.537 0.552 -1.198) 6.669 5.142 ( 4.977 -6.401 -2.127) 8.383 5.246 ( 3.856 -5.934 4.982) 8.655 5.481 ( 2.586 -10.850 -2.118) 11.353 5.848 ( -5.339 0.208 -3.024) 6.139 6.433 ( 1.521 -1.518 2.767) 3.504 6.616 ( -3.086 -3.373 1.730) 4.888 6.773 ( 3.284 -11.851 -0.933) 12.333 7.077 ( 1.533 -2.486 -3.712) 4.724 7.239 ( 5.176 -4.330 -3.689) 7.690 7.637 ( -5.280 -2.265 -4.339) 7.200 7.755 ( -4.745 -5.903 0.298) 7.580 8.031 ( -1.225 -1.102 -5.531) 5.771 8.335 ( 5.084 -2.003 3.216) 6.341 8.726 ( 3.957 1.424 5.469) 6.899 9.129 ( 7.298 1.024 9.232) 11.812 9.564 ( 0.107 3.201 -4.589) 5.596 9.809 ( -9.199 3.217 -2.179) 9.986 9.967 ( 0.417 0.537 -1.089) 1.284 11.457 ( 4.738 7.046 1.308) 8.591 11.653 ( -1.516 18.094 1.032) 18.187 12.955 ( -1.668 -5.042 -6.202) 8.165 13.691 ( -1.046 -2.307 1.508) 2.948 13.942 ( -1.472 3.225 -2.240) 4.193 14.282 ( 0.259 -10.988 5.474) 12.279 16.574 ( 8.398 4.078 6.047) 11.123 16.773 ( -10.118 6.428 0.026) 11.987 17.343 ( 14.363 11.026 -0.773) 18.124 17.531 ( -3.993 18.945 -8.348) 21.085 20.384 ( -4.537 -24.248 2.211) 24.768 22.547 ( -3.179 -0.428 -0.078) 3.209 ======================= Grid point 407 (198/336) ======================= q-point: (-0.09 0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -5.106 5.620 4.330) 8.740 2.029 ( 4.234 16.310 12.676) 21.086 2.235 ( 14.099 13.101 14.875) 24.324 2.921 ( 4.528 1.782 20.334) 20.908 4.228 ( -0.854 8.027 -13.822) 16.006 4.719 ( 5.053 -2.312 2.874) 6.256 5.270 ( 4.852 -9.318 -6.373) 12.287 5.315 ( -4.765 -4.281 2.337) 6.818 5.612 ( 4.074 -5.979 -1.959) 7.495 5.768 ( -3.706 -2.071 0.987) 4.359 6.376 ( -5.889 5.905 5.024) 9.736 6.685 ( 1.210 -8.166 0.985) 8.314 6.872 ( -4.229 -11.664 -3.049) 12.776 7.027 ( 1.422 3.695 -8.881) 9.724 7.415 ( 4.301 -9.601 4.873) 11.594 7.496 ( -9.249 -0.957 -5.669) 10.890 7.771 ( 0.614 -2.679 4.135) 4.965 7.983 ( -1.442 -0.680 -6.290) 6.489 8.422 ( 0.035 -4.230 1.985) 4.673 8.812 ( 2.156 1.436 -2.737) 3.768 9.267 ( 6.168 2.556 7.986) 10.409 9.489 ( -0.000 1.135 -3.951) 4.111 9.719 ( 1.614 3.728 0.122) 4.064 9.947 ( -1.789 0.611 0.552) 1.969 11.375 ( -2.409 13.735 -2.055) 14.095 11.576 ( 11.509 12.868 1.523) 17.331 12.922 ( -5.024 -5.993 -5.125) 9.350 13.708 ( -0.480 -1.780 1.983) 2.708 13.874 ( -2.397 2.017 -1.675) 3.553 14.403 ( -2.711 -10.306 5.322) 11.912 16.492 ( -10.693 9.339 -0.386) 14.202 16.772 ( 13.650 2.570 3.394) 14.298 17.176 ( -8.895 12.297 -5.964) 16.306 17.648 ( 28.995 10.680 -3.159) 31.060 20.488 ( -11.897 -20.941 4.089) 24.429 22.500 ( -3.167 -0.078 0.193) 3.174 ======================= Grid point 411 (199/336) ======================= q-point: (-0.73 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -3.822 -0.000 -1.689) 4.179 2.913 ( -11.732 -0.000 -2.384) 11.972 2.972 ( 7.241 0.000 3.517) 8.050 3.331 ( -5.665 -0.000 7.463) 9.370 4.042 ( -0.486 -0.000 -15.055) 15.062 4.158 ( -1.543 -0.000 -0.735) 1.709 4.347 ( -4.184 -0.000 1.192) 4.350 5.370 ( -9.948 -0.000 -1.212) 10.022 5.626 ( 6.661 0.000 -10.428) 12.373 5.781 ( -6.339 -0.000 -2.125) 6.686 5.959 ( -6.812 -0.000 -1.615) 7.000 6.276 ( 3.793 0.000 -15.908) 16.354 6.677 ( 3.684 0.000 5.965) 7.011 6.802 ( -1.740 -0.000 10.919) 11.057 7.234 ( 11.602 0.000 -9.322) 14.883 7.595 ( -0.885 -0.000 -5.051) 5.128 7.981 ( -2.871 -0.000 -2.745) 3.972 8.117 ( -0.403 -0.000 -0.547) 0.679 8.306 ( 0.877 0.000 2.684) 2.824 8.690 ( -8.125 -0.000 -11.853) 14.371 8.712 ( 3.724 0.000 8.887) 9.636 9.469 ( 1.781 0.000 5.177) 5.475 9.863 ( 2.260 0.000 -3.027) 3.777 10.525 ( 0.008 0.000 1.208) 1.208 11.987 ( -12.568 -0.000 16.466) 20.714 12.057 ( 11.476 0.000 0.565) 11.489 12.308 ( -8.210 -0.000 -2.745) 8.657 13.699 ( 5.936 0.000 -5.378) 8.010 13.872 ( -0.569 -0.000 3.063) 3.115 14.032 ( -0.480 -0.000 -0.221) 0.528 16.257 ( 5.522 0.000 4.380) 7.048 16.700 ( 0.160 0.000 2.302) 2.307 18.625 ( 24.610 0.000 -4.384) 24.998 18.758 ( -28.851 -0.000 -1.272) 28.879 18.973 ( -1.734 -0.000 1.003) 2.003 22.512 ( 4.570 0.000 1.633) 4.853 ======================= Grid point 413 (200/336) ======================= q-point: (-0.64 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 1.743 3.717 -3.550) 5.427 2.679 ( -12.257 4.209 0.646) 12.976 3.049 ( 0.684 5.032 4.292) 6.649 3.290 ( -7.675 -6.128 8.225) 12.810 3.989 ( 4.883 5.958 -6.619) 10.156 4.161 ( 0.277 -6.021 1.406) 6.189 4.351 ( 0.922 -5.931 -3.640) 7.020 5.196 ( -9.152 -1.687 -5.146) 10.634 5.628 ( 3.375 1.933 -14.499) 15.012 5.724 ( -0.367 -0.052 1.373) 1.422 5.908 ( -1.018 -2.726 3.721) 4.724 6.255 ( 5.591 -0.144 -18.026) 18.874 6.654 ( 1.079 14.589 6.567) 16.035 6.944 ( -0.586 -12.858 9.354) 15.911 7.326 ( 8.618 6.493 -6.456) 12.574 7.562 ( -3.236 -5.620 -1.401) 6.634 7.896 ( -3.048 -0.143 -8.614) 9.139 8.089 ( -3.756 -1.386 0.754) 4.074 8.331 ( 2.910 4.575 -0.838) 5.486 8.564 ( -1.778 -2.179 -4.281) 5.122 8.797 ( 1.114 -0.045 6.205) 6.304 9.541 ( 2.160 -0.653 6.656) 7.028 9.871 ( 2.407 1.019 -5.262) 5.876 10.505 ( -2.648 0.403 0.966) 2.847 11.864 ( -13.391 0.168 14.432) 19.689 12.049 ( -2.316 13.859 -0.808) 14.074 12.354 ( 3.543 -15.736 0.833) 16.151 13.763 ( 5.672 0.950 -5.172) 7.735 13.867 ( -0.459 0.579 2.063) 2.191 14.062 ( 2.591 -0.817 0.452) 2.754 16.376 ( 5.119 1.048 6.190) 8.100 16.740 ( 0.729 -3.021 4.403) 5.389 18.282 ( -22.999 3.511 -7.324) 24.391 18.794 ( 3.345 15.258 2.895) 15.886 19.090 ( 9.086 -15.772 -2.834) 18.421 22.590 ( 3.426 -0.359 1.240) 3.661 ======================= Grid point 414 (201/336) ======================= q-point: (-0.55 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 7.389 7.079 -3.085) 10.687 2.496 ( -7.045 7.706 11.311) 15.393 2.958 ( -6.602 8.054 6.396) 12.221 3.299 ( -5.330 -6.302 5.425) 9.877 4.010 ( 6.717 5.720 1.752) 8.994 4.298 ( 6.422 -8.375 1.162) 10.617 4.426 ( 2.314 -9.360 -4.112) 10.482 5.076 ( -5.269 -6.261 -7.625) 11.185 5.538 ( 0.786 4.654 -14.254) 15.015 5.780 ( 4.546 -2.463 2.472) 5.730 5.998 ( 2.811 -4.191 6.155) 7.960 6.230 ( 4.913 1.012 -16.625) 17.365 6.573 ( 0.721 11.873 4.968) 12.890 7.041 ( -5.899 -8.200 2.616) 10.435 7.333 ( 4.189 5.610 -0.877) 7.056 7.584 ( -0.751 -6.676 -2.873) 7.306 7.809 ( -1.193 -0.165 -6.313) 6.426 8.040 ( -4.963 -3.462 -1.287) 6.187 8.302 ( 2.303 7.193 -1.581) 7.716 8.595 ( 2.123 -3.367 0.729) 4.047 8.834 ( 0.130 0.656 4.844) 4.890 9.618 ( 0.247 -1.878 7.082) 7.331 9.863 ( 3.712 2.486 -7.038) 8.336 10.446 ( -5.153 1.117 1.903) 5.606 11.732 ( -11.956 -1.110 8.016) 14.437 11.901 ( -1.539 11.833 6.508) 13.592 12.573 ( 5.990 -12.316 0.611) 13.709 13.772 ( 0.858 2.630 -3.404) 4.386 13.898 ( 1.908 -3.095 -0.785) 3.720 14.111 ( 3.148 1.237 -0.394) 3.405 16.460 ( 3.606 4.575 7.379) 9.401 16.828 ( 0.900 -5.598 5.238) 7.719 17.898 ( -15.097 4.911 -3.895) 16.346 18.636 ( -7.452 13.296 5.190) 16.101 19.371 ( 11.699 -13.953 -9.575) 20.573 22.634 ( 0.827 -0.283 0.440) 0.978 ======================= Grid point 415 (202/336) ======================= q-point: (-0.45 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 11.438 10.721 1.260) 15.728 2.461 ( -0.324 8.653 21.166) 22.869 2.797 ( -9.015 7.692 6.701) 13.614 3.258 ( -6.737 1.721 4.158) 8.102 4.119 ( 7.939 1.550 5.842) 9.978 4.479 ( 5.431 -7.965 -4.865) 10.798 4.578 ( 7.578 -9.248 3.899) 12.576 5.049 ( -2.544 -11.321 -8.357) 14.299 5.402 ( -0.437 8.256 -11.415) 14.095 5.947 ( 8.746 -6.462 2.538) 11.167 6.090 ( -0.048 0.050 2.847) 2.848 6.217 ( 5.901 -0.423 -8.923) 10.706 6.537 ( 0.317 0.927 1.104) 1.477 6.974 ( -6.310 -1.782 -1.005) 6.633 7.337 ( 0.623 1.679 -2.522) 3.093 7.604 ( 0.179 -4.495 -6.137) 7.610 7.787 ( -1.654 -0.322 0.244) 1.702 7.993 ( -2.683 -4.888 -3.184) 6.421 8.274 ( 2.442 5.725 0.651) 6.258 8.671 ( 2.033 -2.115 2.950) 4.161 8.865 ( 1.728 1.517 5.937) 6.367 9.652 ( -2.469 -1.554 4.519) 5.379 9.872 ( 5.017 1.813 -6.116) 8.115 10.328 ( -9.062 2.016 0.944) 9.332 11.621 ( -4.616 2.155 2.837) 5.831 11.866 ( 0.666 7.722 13.390) 15.472 12.770 ( 5.982 -8.390 -0.293) 10.308 13.718 ( -2.266 1.386 -3.248) 4.196 13.954 ( 1.222 -4.663 -1.534) 5.059 14.125 ( 1.796 3.031 -2.000) 4.051 16.509 ( 3.611 6.414 8.166) 10.994 16.910 ( -0.136 -3.737 4.217) 5.637 17.664 ( -6.799 6.090 0.503) 9.141 18.397 ( -9.144 13.347 2.974) 16.450 19.599 ( 7.404 -15.643 -11.327) 20.684 22.628 ( -1.693 -0.185 -0.273) 1.725 ======================= Grid point 416 (203/336) ======================= q-point: (-0.36 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 14.712 11.744 6.541) 19.929 2.549 ( 2.146 8.040 24.836) 26.193 2.608 ( -10.080 8.243 6.720) 14.653 3.099 ( -7.349 11.964 4.154) 14.642 4.287 ( 7.325 -1.827 6.705) 10.096 4.565 ( 2.994 -6.350 -10.187) 12.372 4.854 ( 11.508 -6.732 7.912) 15.504 5.093 ( -2.297 -14.607 -6.478) 16.144 5.245 ( -1.069 8.649 -7.057) 11.214 6.030 ( -2.000 5.783 -1.915) 6.412 6.176 ( 7.955 -8.610 0.493) 11.733 6.334 ( 7.503 -6.158 -1.183) 9.778 6.564 ( -3.112 -8.434 0.331) 8.996 6.917 ( -0.250 0.194 0.453) 0.553 7.293 ( -1.137 -0.352 -6.929) 7.030 7.606 ( 1.057 -3.047 -7.524) 8.186 7.719 ( -7.144 -1.544 0.083) 7.309 8.015 ( 1.274 -3.134 -2.826) 4.408 8.284 ( 2.502 2.943 2.297) 4.494 8.718 ( 0.672 1.435 5.520) 5.743 8.964 ( 6.233 0.278 8.720) 10.722 9.639 ( -1.263 0.337 0.863) 1.566 9.894 ( 0.900 -0.865 -4.267) 4.446 10.140 ( -9.922 3.084 -1.920) 10.566 11.581 ( 1.875 5.251 1.804) 5.860 11.916 ( 2.634 7.144 14.369) 16.262 12.896 ( 3.129 -3.659 -3.258) 5.813 13.653 ( -2.950 -1.065 -1.783) 3.607 14.007 ( 0.163 -6.040 -1.213) 6.162 14.088 ( -0.620 3.213 -2.440) 4.082 16.570 ( 5.517 6.606 8.616) 12.179 16.940 ( -1.774 0.012 3.855) 4.244 17.547 ( 0.253 8.896 0.699) 8.927 18.144 ( -6.602 14.719 -1.401) 16.192 19.772 ( 1.068 -19.972 -8.308) 21.657 22.588 ( -3.003 -0.260 -0.441) 3.046 ======================= Grid point 417 (204/336) ======================= q-point: (-0.27 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 11.123 7.558 7.207) 15.257 2.417 ( -6.904 10.888 8.429) 15.403 2.607 ( -2.106 13.183 18.830) 23.082 2.935 ( 1.121 14.057 10.118) 17.356 4.431 ( 3.140 -1.711 0.751) 3.654 4.582 ( 3.703 -2.374 -10.296) 11.197 5.097 ( -1.933 -0.410 -0.937) 2.187 5.124 ( 6.332 -5.775 5.864) 10.384 5.228 ( 2.871 -11.879 -3.510) 12.715 5.922 ( -2.507 5.983 -2.535) 6.964 6.346 ( 5.213 -7.318 -1.958) 9.196 6.493 ( -2.407 -10.407 0.894) 10.719 6.596 ( 0.822 -6.020 1.304) 6.214 6.972 ( 2.061 -4.324 3.516) 5.942 7.239 ( 1.052 0.064 -9.620) 9.677 7.602 ( -2.375 -0.646 -4.993) 5.567 7.635 ( -2.948 -6.346 -2.265) 7.354 8.020 ( -0.458 -0.577 -3.969) 4.037 8.314 ( 0.709 -0.443 1.938) 2.110 8.774 ( 4.959 3.650 8.262) 10.304 9.135 ( 6.953 -0.303 9.360) 11.664 9.623 ( 0.888 2.480 -2.674) 3.754 9.820 ( -8.294 -1.199 -1.671) 8.545 9.995 ( -1.927 2.064 -4.027) 4.918 11.591 ( 4.574 6.814 1.406) 8.326 11.948 ( 2.521 12.773 10.154) 16.511 12.889 ( -2.534 -1.816 -6.945) 7.613 13.640 ( -1.026 -2.943 1.171) 3.329 14.002 ( -2.019 2.424 -3.400) 4.639 14.093 ( -0.242 -8.355 2.316) 8.673 16.673 ( 7.965 6.193 9.315) 13.732 16.866 ( -8.055 3.801 2.267) 9.191 17.544 ( 10.500 10.334 -0.852) 14.757 17.889 ( -1.863 17.860 -7.658) 19.522 19.915 ( -5.483 -24.840 -1.664) 25.493 22.540 ( -2.973 -0.321 -0.087) 2.991 ======================= Grid point 418 (205/336) ======================= q-point: (-0.18 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -7.089 2.321 1.994) 7.721 2.341 ( 4.082 15.621 11.276) 19.694 2.543 ( 6.273 16.954 13.906) 22.807 3.004 ( 7.772 7.537 14.319) 17.951 4.371 ( -0.738 5.890 -11.919) 13.315 4.661 ( 3.369 -4.329 0.500) 5.508 5.109 ( -1.219 -7.446 -0.288) 7.550 5.203 ( -2.562 -7.016 -2.250) 7.801 5.428 ( 6.074 -9.465 1.637) 11.365 5.826 ( -1.126 5.268 -0.409) 5.403 6.439 ( -2.441 -0.987 2.138) 3.392 6.504 ( -0.991 -10.939 -2.256) 11.213 6.660 ( -4.782 -8.364 -0.889) 9.675 7.064 ( 2.535 -1.708 -1.542) 3.424 7.245 ( 3.997 -4.506 -2.366) 6.471 7.500 ( -6.252 -0.494 -4.515) 7.728 7.692 ( 2.432 -5.241 -0.757) 5.828 7.977 ( -1.369 -0.097 -4.657) 4.855 8.344 ( -0.224 -3.510 2.005) 4.048 8.866 ( 3.295 4.118 2.846) 5.993 9.283 ( 5.526 -0.056 7.443) 9.270 9.557 ( -0.946 4.914 -3.525) 6.121 9.755 ( -0.655 -0.642 2.388) 2.558 9.947 ( -0.643 0.083 -3.066) 3.134 11.585 ( 2.002 9.405 -0.103) 9.616 11.893 ( 5.378 18.114 5.532) 19.688 12.811 ( -5.144 -5.111 -6.541) 9.766 13.666 ( -0.636 -2.616 1.841) 3.261 13.919 ( -3.052 2.513 -2.184) 4.517 14.202 ( -0.415 -10.517 3.767) 11.179 16.656 ( -9.902 8.114 1.983) 12.954 16.834 ( 10.909 3.955 6.160) 13.137 17.455 ( -6.004 16.442 -7.380) 18.996 17.869 ( 23.721 12.075 -4.458) 26.988 20.033 ( -10.920 -26.500 3.129) 28.832 22.499 ( -2.484 0.006 0.286) 2.501 ======================= Grid point 419 (206/336) ======================= q-point: (-0.09 0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -8.446 -0.084 -0.129) 8.448 2.337 ( 6.426 14.834 10.603) 19.333 2.683 ( 11.296 9.258 15.425) 21.242 3.171 ( 11.555 5.624 8.393) 15.349 4.232 ( 1.052 7.993 -10.131) 12.947 4.717 ( -1.765 -4.532 -2.598) 5.514 5.088 ( -12.914 -9.151 0.042) 15.827 5.248 ( 4.918 -6.466 -5.628) 9.882 5.577 ( 2.111 -8.395 -2.007) 8.886 5.793 ( 0.669 4.050 5.271) 6.681 6.373 ( -4.186 3.655 2.404) 6.055 6.567 ( -8.836 -8.944 1.016) 12.614 6.643 ( -0.289 -12.576 -6.924) 14.359 7.033 ( -0.122 3.646 -6.679) 7.611 7.327 ( -6.546 2.168 -8.828) 11.202 7.441 ( 5.162 -8.372 6.586) 11.837 7.803 ( 3.991 -5.657 5.116) 8.608 7.931 ( -0.420 0.209 -4.959) 4.981 8.389 ( -0.247 -3.129 0.766) 3.231 8.768 ( -6.581 5.883 -6.025) 10.688 9.417 ( 4.297 -0.169 4.164) 5.986 9.498 ( -0.716 2.829 -1.681) 3.368 9.778 ( 1.198 1.274 2.346) 2.927 9.964 ( 4.472 0.122 2.388) 5.071 11.481 ( 1.183 12.255 -1.545) 12.409 11.915 ( 10.808 13.858 6.829) 18.855 12.742 ( -5.571 -5.872 -5.789) 9.952 13.689 ( -0.928 -2.768 1.761) 3.409 13.835 ( -3.396 1.729 -1.679) 4.165 14.291 ( -2.901 -8.372 3.175) 9.412 16.438 ( -6.323 9.911 -1.256) 11.823 17.021 ( 7.301 2.890 3.075) 8.433 17.163 ( -0.106 13.136 -4.925) 14.030 18.178 ( 26.459 8.968 -0.837) 27.950 20.076 ( -15.534 -23.208 2.323) 28.024 22.460 ( -2.145 0.828 0.436) 2.340 ======================= Grid point 424 (207/336) ======================= q-point: (-0.64 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 8.191 0.000 -3.476) 8.898 2.573 ( -6.993 -0.000 10.819) 12.882 3.125 ( -11.835 -0.000 7.874) 14.215 3.143 ( 2.309 0.000 2.612) 3.486 4.135 ( -0.051 -0.000 5.262) 5.262 4.158 ( 12.101 0.000 -0.169) 12.103 4.322 ( 2.628 0.000 -5.311) 5.926 5.012 ( -7.001 -0.000 -7.382) 10.174 5.583 ( 2.106 0.000 -15.201) 15.346 5.757 ( 2.813 0.000 2.662) 3.873 5.957 ( 3.759 0.000 6.242) 7.287 6.235 ( 5.667 0.000 -18.597) 19.441 6.819 ( 2.674 0.000 0.827) 2.799 6.838 ( -8.067 -0.000 9.028) 12.107 7.445 ( -6.080 -0.000 3.830) 7.186 7.463 ( 7.819 0.000 -7.298) 10.696 7.814 ( 0.377 0.000 -9.435) 9.443 8.004 ( -6.389 -0.000 0.808) 6.440 8.389 ( 1.129 0.000 -1.989) 2.287 8.542 ( 2.978 0.000 -0.443) 3.010 8.843 ( 0.074 0.000 6.389) 6.389 9.599 ( 0.038 0.000 7.018) 7.019 9.886 ( 3.525 0.000 -6.856) 7.709 10.457 ( -4.958 -0.000 1.970) 5.335 11.719 ( -11.726 -0.000 9.123) 14.856 12.055 ( -6.752 -0.000 8.127) 10.566 12.416 ( 12.103 0.000 -1.812) 12.238 13.826 ( 4.873 0.000 -5.304) 7.203 13.837 ( -3.874 -0.000 1.661) 4.215 14.125 ( 4.450 0.000 -0.748) 4.513 16.518 ( 5.295 0.000 9.348) 10.744 16.760 ( 0.252 0.000 4.981) 4.987 17.944 ( -15.546 -0.000 -4.709) 16.244 18.798 ( -13.101 -0.000 9.623) 16.255 19.204 ( 17.279 0.000 -14.416) 22.503 22.631 ( 0.924 0.000 0.671) 1.142 ======================= Grid point 426 (208/336) ======================= q-point: (-0.55 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 12.294 4.316 -0.218) 13.032 2.589 ( -0.440 4.020 19.325) 19.744 2.944 ( -10.137 6.777 6.891) 14.006 3.215 ( -0.597 -4.463 2.739) 5.270 4.163 ( 2.303 2.378 6.244) 7.067 4.364 ( 5.389 -3.452 -4.660) 7.916 4.429 ( 12.835 -5.597 5.679) 15.110 4.895 ( -4.111 -4.371 -8.740) 10.602 5.519 ( 2.163 3.606 -12.778) 13.452 5.849 ( 5.144 -3.105 2.189) 6.395 6.073 ( 4.403 -0.854 6.807) 8.151 6.215 ( 5.368 -0.408 -16.693) 17.540 6.647 ( -8.932 8.176 3.467) 12.596 6.892 ( -2.151 -6.091 -0.531) 6.481 7.364 ( -5.132 1.020 1.036) 5.334 7.535 ( 4.259 -2.268 -7.190) 8.659 7.809 ( 2.913 1.958 -2.516) 4.319 7.908 ( -5.468 -3.652 -1.881) 6.839 8.357 ( -0.630 2.620 -1.692) 3.181 8.635 ( 5.296 -1.316 4.011) 6.772 8.885 ( 0.821 0.609 6.848) 6.924 9.624 ( -2.058 -1.034 5.145) 5.637 9.899 ( 3.596 0.804 -7.016) 7.925 10.354 ( -9.014 0.699 1.252) 9.128 11.634 ( -4.139 0.002 5.750) 7.085 12.012 ( -2.361 5.648 13.441) 14.769 12.630 ( 11.320 -5.182 -1.470) 12.536 13.753 ( -4.937 1.871 -0.488) 5.303 13.874 ( 2.107 -3.178 -4.257) 5.715 14.168 ( 2.416 1.280 -2.496) 3.702 16.632 ( 4.335 5.767 10.927) 13.094 16.821 ( 0.677 -4.884 5.261) 7.210 17.742 ( -6.465 2.101 -0.817) 6.847 18.600 ( -12.965 6.920 8.348) 16.902 19.368 ( 10.133 -7.680 -17.869) 21.931 22.626 ( -1.703 -0.039 -0.007) 1.704 ======================= Grid point 427 (209/336) ======================= q-point: (-0.45 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 12.158 6.898 4.135) 14.577 2.692 ( 2.380 6.481 21.608) 22.684 2.765 ( -7.943 7.822 7.314) 13.333 3.223 ( -1.993 1.786 2.146) 3.430 4.244 ( 2.619 -2.410 6.755) 7.635 4.453 ( 4.490 -4.965 -6.140) 9.083 4.751 ( 14.898 -3.833 9.521) 18.091 4.853 ( -2.720 -9.421 -8.261) 12.822 5.417 ( 0.166 8.213 -9.084) 12.247 5.987 ( 3.510 -7.297 -1.263) 8.195 6.156 ( 3.733 3.222 2.732) 5.638 6.243 ( 4.677 -4.185 -8.115) 10.258 6.491 ( -5.450 1.172 3.092) 6.375 6.899 ( -0.414 -2.294 -0.561) 2.398 7.267 ( -5.523 -1.675 -4.028) 7.038 7.559 ( 1.613 -1.934 -7.176) 7.605 7.728 ( -5.935 1.729 -2.862) 6.812 7.951 ( 4.020 -3.329 -1.632) 5.469 8.325 ( -0.303 1.430 0.035) 1.462 8.757 ( 5.246 2.408 7.926) 9.805 8.960 ( 3.664 -0.657 8.340) 9.133 9.625 ( -1.618 -1.332 2.491) 3.256 9.891 ( 0.842 0.412 -6.796) 6.861 10.180 ( -10.588 1.184 -1.505) 10.760 11.646 ( 2.528 1.875 3.299) 4.560 12.045 ( 1.582 6.017 16.866) 17.977 12.824 ( 7.832 -3.605 -1.806) 8.809 13.647 ( -5.634 0.343 -1.021) 5.736 13.904 ( 0.447 -4.288 -3.840) 5.773 14.145 ( -0.711 2.275 -3.613) 4.328 16.702 ( 4.743 7.158 10.297) 13.408 16.911 ( 0.208 -3.090 6.600) 7.290 17.674 ( 1.636 4.581 0.310) 4.874 18.378 ( -9.760 9.845 5.827) 15.038 19.454 ( 2.060 -13.163 -17.344) 21.870 22.585 ( -3.075 -0.084 -0.325) 3.093 ======================= Grid point 428 (210/336) ======================= q-point: (-0.36 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 4.031 5.186 5.649) 8.664 2.619 ( -1.899 9.930 6.975) 12.283 2.808 ( 2.402 9.602 19.730) 22.074 3.162 ( -0.171 8.219 3.555) 8.956 4.354 ( 0.796 -5.902 5.028) 7.794 4.513 ( 3.801 -3.841 -9.148) 10.625 4.881 ( -2.761 -13.352 -4.366) 14.316 5.069 ( 13.432 -2.643 8.357) 16.039 5.273 ( -1.686 9.385 -5.001) 10.767 6.007 ( -2.327 0.392 -3.471) 4.197 6.224 ( 3.898 -2.586 -1.986) 5.082 6.289 ( -2.950 -10.211 -2.775) 10.985 6.526 ( 4.913 -1.389 4.513) 6.814 6.932 ( 1.420 -1.252 2.908) 3.470 7.199 ( -0.870 -3.615 -7.266) 8.162 7.527 ( -6.032 -4.882 -2.862) 8.271 7.625 ( 0.822 2.490 -7.502) 7.947 8.001 ( 0.712 -1.408 -3.153) 3.525 8.312 ( -1.138 0.096 0.812) 1.401 8.859 ( 6.126 5.279 9.807) 12.711 9.117 ( 6.544 -1.703 9.805) 11.911 9.637 ( 0.859 -0.960 0.392) 1.347 9.810 ( -5.748 0.765 -6.054) 8.383 10.020 ( -5.147 0.357 -3.987) 6.521 11.698 ( 5.379 4.399 1.577) 7.125 12.130 ( 2.868 6.972 16.376) 18.028 12.880 ( -1.008 0.459 -5.079) 5.198 13.589 ( -1.900 -2.297 0.722) 3.067 13.930 ( -0.519 -6.116 -2.927) 6.800 14.074 ( -2.314 2.353 -2.725) 4.280 16.790 ( 6.511 5.705 8.913) 12.425 16.925 ( -4.760 2.658 7.125) 8.971 17.715 ( 11.021 7.508 -1.251) 13.394 18.175 ( -5.077 12.446 0.265) 13.444 19.489 ( -5.445 -19.770 -10.878) 23.213 22.535 ( -2.820 -0.150 -0.096) 2.825 ======================= Grid point 429 (211/336) ======================= q-point: (-0.27 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -8.729 2.514 2.634) 9.458 2.614 ( 6.978 13.121 8.212) 16.979 2.811 ( 0.265 12.372 13.539) 18.342 3.171 ( 6.957 8.270 7.861) 13.363 4.401 ( -1.766 -3.475 -2.977) 4.905 4.560 ( 2.752 -5.263 -5.890) 8.364 4.930 ( -4.999 -11.989 -0.970) 13.026 5.163 ( -0.402 3.606 -3.304) 4.907 5.311 ( 8.511 -2.905 3.536) 9.663 5.924 ( -2.761 4.087 0.232) 4.937 6.291 ( -1.206 -10.975 -5.153) 12.184 6.314 ( -1.641 -8.493 -3.223) 9.231 6.618 ( 0.265 1.502 4.933) 5.163 7.007 ( 4.312 -2.192 3.585) 6.021 7.211 ( 2.929 -1.679 -6.397) 7.233 7.455 ( -6.192 -5.016 -1.188) 8.057 7.618 ( 4.088 -1.282 -7.138) 8.325 7.972 ( -1.966 -0.633 -4.176) 4.658 8.300 ( -1.437 -1.318 1.808) 2.659 8.958 ( 4.203 5.493 5.999) 9.156 9.281 ( 5.571 -0.193 7.746) 9.544 9.645 ( -0.517 4.264 -3.963) 5.844 9.702 ( -2.046 -4.089 1.925) 4.961 9.952 ( -0.620 -0.081 -4.110) 4.157 11.741 ( 5.308 7.182 0.309) 8.936 12.174 ( 1.675 10.822 12.712) 16.778 12.757 ( -6.931 -0.271 -7.603) 10.291 13.616 ( 0.210 -2.520 1.526) 2.953 13.940 ( -2.888 -2.208 -3.262) 4.884 14.045 ( 0.470 -4.145 1.402) 4.401 16.788 ( -7.205 5.531 0.281) 9.088 16.925 ( 7.181 6.033 12.661) 15.756 17.757 ( 1.467 15.203 -6.039) 16.424 18.075 ( 13.938 9.554 -2.641) 17.103 19.536 ( -10.215 -25.632 -2.191) 27.679 22.500 ( -1.768 0.106 0.378) 1.812 ======================= Grid point 430 (212/336) ======================= q-point: (-0.18 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -10.738 1.668 -1.045) 10.917 2.610 ( 3.574 14.457 7.705) 16.767 2.850 ( 5.930 8.453 13.281) 16.822 3.294 ( 10.714 6.184 5.570) 13.567 4.346 ( -0.988 2.486 -6.101) 6.662 4.604 ( -1.703 -6.830 -3.445) 7.836 4.911 ( -8.868 -8.782 -1.896) 12.623 5.156 ( 2.177 -3.250 -4.096) 5.664 5.437 ( 2.269 -5.744 -2.759) 6.764 5.874 ( -1.214 3.553 6.062) 7.131 6.292 ( -5.248 -8.644 -3.023) 10.555 6.401 ( 2.963 -12.175 -8.471) 15.125 6.557 ( -6.144 5.343 4.769) 9.436 7.084 ( 1.972 1.482 -4.517) 5.146 7.280 ( 5.717 -3.959 1.044) 7.032 7.393 ( -3.376 -0.382 -2.926) 4.484 7.686 ( 2.724 -6.118 0.004) 6.697 7.926 ( -0.523 -0.824 -4.662) 4.763 8.329 ( 0.894 -2.893 2.322) 3.816 8.893 ( -5.169 7.292 -3.507) 9.601 9.393 ( 2.654 -0.773 2.241) 3.559 9.581 ( -1.405 3.654 1.961) 4.378 9.763 ( 2.054 -2.654 1.387) 3.631 9.968 ( 4.994 0.625 1.699) 5.312 11.707 ( 1.323 11.483 -1.319) 11.634 12.167 ( 3.502 11.663 11.038) 16.435 12.637 ( -4.434 -4.654 -7.546) 9.913 13.641 ( -0.754 -2.059 1.141) 2.472 13.865 ( -4.005 1.058 -2.394) 4.784 14.138 ( 0.890 -7.367 2.619) 7.869 16.613 ( -5.257 8.671 -0.467) 10.151 17.073 ( 7.206 3.076 8.989) 11.924 17.473 ( -5.020 18.672 -9.757) 21.657 18.332 ( 23.147 6.964 1.243) 24.204 19.600 ( -12.554 -26.724 0.341) 29.528 22.478 ( -0.904 0.990 0.708) 1.516 ======================= Grid point 431 (213/336) ======================= q-point: (-0.09 0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -7.243 -1.452 -3.180) 8.042 2.610 ( 5.501 9.871 7.047) 13.317 2.946 ( 3.595 5.657 13.247) 14.846 3.431 ( 9.024 4.271 -0.002) 9.984 4.286 ( 2.753 5.492 -4.114) 7.394 4.573 ( -6.024 -5.016 -5.936) 9.832 4.784 ( -13.260 -6.371 -2.556) 14.931 5.232 ( 4.551 -6.922 -5.742) 10.079 5.482 ( -1.264 -8.684 -5.597) 10.409 5.879 ( -1.542 1.619 9.108) 9.378 6.266 ( -3.285 -6.543 -5.763) 9.317 6.383 ( -9.418 3.425 1.487) 10.131 6.549 ( 4.953 -10.355 -5.690) 12.812 7.043 ( 0.848 5.153 -2.086) 5.624 7.209 ( -5.692 5.287 -11.025) 13.487 7.496 ( 5.023 -5.919 6.309) 10.003 7.800 ( 0.250 -8.416 1.600) 8.571 7.950 ( 6.154 -1.698 -0.535) 6.406 8.375 ( 0.621 -0.395 -0.699) 1.015 8.689 ( -6.822 7.308 -3.505) 10.594 9.358 ( -5.961 -2.632 -7.662) 10.058 9.539 ( -1.425 5.616 3.089) 6.566 9.807 ( 1.146 -0.220 0.726) 1.374 10.124 ( 9.375 -0.267 8.385) 12.580 11.602 ( 1.351 10.001 -1.229) 10.166 12.208 ( 2.231 7.911 14.105) 16.325 12.606 ( 1.936 -3.132 -8.878) 9.611 13.650 ( -1.616 -2.497 1.226) 3.217 13.775 ( -3.876 0.803 -2.507) 4.686 14.209 ( -1.287 -4.734 1.993) 5.295 16.463 ( -1.634 10.574 -1.461) 10.799 17.049 ( -5.486 9.955 -5.644) 12.691 17.377 ( 11.472 3.517 4.914) 12.966 18.635 ( 18.539 6.302 6.630) 20.673 19.607 ( -14.159 -22.187 -4.861) 26.765 22.459 ( -0.093 2.173 0.860) 2.338 ======================= Grid point 437 (214/336) ======================= q-point: (-0.55 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 10.819 0.000 3.607) 11.404 2.759 ( 2.511 0.000 19.960) 20.117 2.852 ( -7.944 -0.000 7.242) 10.750 3.223 ( 0.939 0.000 2.142) 2.339 4.217 ( -0.145 -0.000 6.201) 6.203 4.402 ( 5.399 0.000 -4.769) 7.204 4.715 ( 16.879 0.000 10.434) 19.843 4.764 ( -3.058 -0.000 -8.652) 9.177 5.505 ( 1.854 0.000 -10.096) 10.265 5.908 ( 2.977 0.000 -0.026) 2.977 6.186 ( 4.168 0.000 6.438) 7.669 6.193 ( 3.354 0.000 -13.575) 13.983 6.530 ( -7.964 -0.000 3.675) 8.771 6.863 ( 1.071 0.000 -1.655) 1.971 7.249 ( -7.118 -0.000 -3.085) 7.758 7.540 ( 1.008 0.000 -6.309) 6.389 7.751 ( -6.136 -0.000 -4.357) 7.525 7.914 ( 6.200 0.000 -0.994) 6.279 8.338 ( -1.292 -0.000 -0.820) 1.531 8.785 ( 8.169 0.000 9.423) 12.471 8.950 ( 1.599 0.000 7.688) 7.853 9.610 ( -1.680 -0.000 2.699) 3.179 9.897 ( 1.037 0.000 -7.381) 7.453 10.190 ( -11.163 -0.000 -1.371) 11.246 11.662 ( 3.091 0.000 3.932) 5.001 12.108 ( -0.304 -0.000 17.893) 17.896 12.785 ( 10.675 0.000 -1.797) 10.825 13.654 ( -7.397 -0.000 0.170) 7.399 13.861 ( 1.476 0.000 -5.692) 5.880 14.167 ( -0.878 -0.000 -3.794) 3.895 16.820 ( 4.196 0.000 14.932) 15.510 16.832 ( 1.450 0.000 3.736) 4.007 17.717 ( 2.187 0.000 0.089) 2.189 18.480 ( -12.756 -0.000 11.380) 17.094 19.321 ( 3.928 0.000 -23.626) 23.950 22.584 ( -3.106 -0.000 -0.284) 3.119 ======================= Grid point 439 (215/336) ======================= q-point: (-0.45 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.400 1.966 5.634) 5.980 2.760 ( -0.080 4.331 4.468) 6.223 2.954 ( 4.968 4.834 19.140) 20.356 3.239 ( -0.183 1.039 2.283) 2.515 4.253 ( -1.824 -3.550 5.237) 6.584 4.459 ( 4.303 -1.690 -6.321) 7.831 4.699 ( -2.065 -5.111 -6.031) 8.170 5.045 ( 15.100 -0.381 10.039) 18.136 5.430 ( -1.755 5.735 -6.623) 8.935 5.937 ( -0.782 -4.262 -3.273) 5.430 6.145 ( -3.190 -4.181 -7.440) 9.111 6.253 ( 1.676 2.103 2.280) 3.526 6.536 ( 5.761 1.512 4.788) 7.642 6.901 ( 3.305 -1.693 1.050) 3.858 7.141 ( -2.758 -1.829 -5.993) 6.846 7.462 ( -7.795 -1.827 -2.485) 8.383 7.667 ( 1.182 1.437 -8.535) 8.735 7.976 ( 1.686 -0.925 -2.676) 3.295 8.314 ( -1.560 0.105 0.236) 1.582 8.963 ( 7.450 5.387 11.064) 14.386 9.065 ( 5.462 -3.805 9.665) 11.736 9.611 ( -0.035 -1.074 0.965) 1.444 9.836 ( -2.422 1.235 -8.354) 8.785 10.014 ( -7.905 -0.569 -3.302) 8.586 11.752 ( 6.234 1.397 1.757) 6.626 12.217 ( 1.023 2.397 18.373) 18.557 12.889 ( 1.972 0.290 -2.297) 3.041 13.560 ( -3.473 -0.772 0.549) 3.600 13.849 ( 0.055 -2.267 -5.376) 5.835 14.107 ( -2.764 0.940 -3.372) 4.461 16.864 ( 1.820 1.913 3.332) 4.252 16.967 ( 1.608 1.572 15.393) 15.556 17.812 ( 11.837 2.661 -1.421) 12.216 18.345 ( -9.649 5.166 11.703) 16.023 19.214 ( -3.792 -8.380 -23.139) 24.901 22.534 ( -2.744 -0.036 -0.107) 2.746 ======================= Grid point 440 (216/336) ======================= q-point: (-0.36 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -10.052 1.985 3.584) 10.855 2.810 ( 8.392 7.473 5.177) 12.373 3.032 ( 0.859 10.944 12.224) 16.430 3.261 ( 2.797 1.014 5.349) 6.120 4.277 ( -4.935 -7.341 3.291) 9.438 4.493 ( 3.853 -2.219 -8.570) 9.655 4.720 ( -1.216 -8.995 -2.453) 9.402 5.258 ( -0.248 3.764 -3.978) 5.482 5.314 ( 4.657 3.414 4.620) 7.396 5.918 ( -4.723 -4.583 -1.841) 6.834 6.115 ( -1.193 -7.038 -6.247) 9.486 6.249 ( 0.968 1.389 -2.445) 2.974 6.662 ( 5.458 2.852 7.038) 9.352 6.993 ( 5.105 0.240 3.303) 6.085 7.156 ( 5.062 -3.797 -5.651) 8.484 7.342 ( -8.183 -5.467 -1.647) 9.978 7.631 ( 2.334 1.582 -8.900) 9.336 7.955 ( -2.329 -1.021 -3.976) 4.719 8.288 ( -1.948 -0.163 1.225) 2.307 9.064 ( 4.186 5.502 7.397) 10.125 9.266 ( 7.067 -1.635 9.816) 12.205 9.630 ( -1.720 -2.991 -0.102) 3.452 9.716 ( -1.249 3.228 -6.601) 7.454 9.934 ( -1.214 -1.641 -2.545) 3.262 11.846 ( 7.442 3.829 0.162) 8.371 12.297 ( -0.967 3.219 15.356) 15.720 12.789 ( -8.694 2.700 -4.551) 10.178 13.577 ( 2.125 -1.494 1.400) 2.951 13.849 ( -0.396 -4.730 -4.259) 6.378 14.041 ( -1.872 1.057 -1.113) 2.421 16.856 ( -2.275 2.034 -0.984) 3.206 17.048 ( 2.042 6.074 17.001) 18.169 17.995 ( 13.970 9.237 -3.910) 17.197 18.226 ( -0.579 6.902 5.795) 9.031 19.111 ( -9.652 -18.565 -13.613) 24.963 22.502 ( -1.237 0.105 0.437) 1.316 ======================= Grid point 441 (217/336) ======================= q-point: (-0.27 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -11.186 2.294 -0.310) 11.423 2.868 ( 3.181 12.394 5.002) 13.739 3.004 ( 2.918 8.079 9.651) 12.920 3.361 ( 5.790 0.598 4.660) 7.457 4.276 ( -6.386 -8.375 2.912) 10.927 4.524 ( 3.571 -1.889 -9.071) 9.930 4.759 ( -3.039 -7.667 -2.578) 8.641 5.129 ( -4.319 0.183 -4.360) 6.140 5.382 ( 1.114 -0.033 -3.246) 3.432 5.869 ( -6.127 -4.615 2.062) 7.943 6.161 ( 1.778 -7.248 -4.169) 8.548 6.253 ( 3.427 -0.375 -5.172) 6.215 6.684 ( -2.046 7.736 6.002) 10.003 7.099 ( 5.869 0.809 -2.666) 6.496 7.221 ( 2.921 -3.277 2.297) 4.955 7.338 ( 0.073 -5.672 -2.208) 6.087 7.608 ( 0.809 -1.754 -6.040) 6.341 7.902 ( -1.457 -1.605 -4.491) 4.986 8.290 ( 0.344 -1.287 2.718) 3.027 9.032 ( -3.579 7.255 -1.130) 8.168 9.393 ( 1.708 0.637 1.493) 2.356 9.594 ( -2.910 -2.545 3.385) 5.138 9.726 ( 4.408 -0.296 -2.364) 5.011 9.976 ( 5.038 -0.063 3.553) 6.165 11.897 ( 5.110 8.549 -0.885) 10.000 12.310 ( -3.797 3.342 12.908) 13.864 12.592 ( -7.147 -0.089 -6.463) 9.637 13.621 ( 1.340 0.152 0.491) 1.435 13.851 ( -2.251 -2.985 -3.350) 5.020 14.043 ( 1.582 -2.353 1.780) 3.348 16.756 ( -3.235 6.315 -1.419) 7.236 17.138 ( 2.753 3.718 13.666) 14.427 17.831 ( -5.079 19.050 -9.135) 21.729 18.428 ( 19.337 3.276 4.780) 20.186 19.107 ( -9.509 -25.190 -5.366) 27.455 22.495 ( 0.221 0.815 0.947) 1.268 ======================= Grid point 442 (218/336) ======================= q-point: (-0.18 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -7.780 2.421 -3.680) 8.940 2.794 ( -0.385 9.826 4.414) 10.779 3.061 ( 3.255 6.459 9.911) 12.269 3.468 ( 4.720 -0.781 0.208) 4.788 4.282 ( -4.018 -6.902 5.076) 9.464 4.499 ( -2.085 -0.256 -8.220) 8.484 4.715 ( -4.574 -2.163 -6.524) 8.256 5.104 ( 0.693 -7.198 -5.667) 9.187 5.345 ( -3.178 -4.848 -6.856) 8.978 5.834 ( -6.326 -6.081 2.013) 9.003 6.226 ( 2.781 -0.385 0.102) 2.809 6.314 ( 4.670 -4.997 -5.967) 9.077 6.550 ( -5.800 7.774 0.559) 9.716 7.127 ( 3.755 3.434 -1.579) 5.328 7.290 ( -2.507 3.210 -9.651) 10.476 7.394 ( 5.661 -5.669 6.982) 10.627 7.635 ( -1.512 -7.967 1.237) 8.203 7.917 ( 4.796 -2.174 -3.726) 6.450 8.351 ( 2.659 -1.734 2.429) 3.996 8.841 ( -6.775 8.811 -4.733) 12.080 9.322 ( -6.923 -1.528 -7.024) 9.980 9.615 ( -0.746 2.092 4.920) 5.398 9.787 ( 3.042 -1.494 -1.609) 3.752 10.124 ( 7.896 0.321 9.429) 12.303 11.813 ( -1.501 12.156 -1.078) 12.295 12.288 ( -6.195 0.820 12.712) 14.165 12.552 ( 5.463 -3.048 -6.748) 9.202 13.629 ( 0.223 0.621 0.031) 0.661 13.791 ( -3.696 0.567 -2.803) 4.673 14.124 ( 1.834 -4.170 2.165) 5.043 16.645 ( -0.458 8.773 -1.152) 8.860 17.184 ( -2.446 3.970 3.160) 5.633 17.547 ( -0.277 14.411 -3.282) 14.783 18.706 ( 8.554 0.133 13.977) 16.387 19.190 ( -1.146 -20.668 -11.498) 23.679 22.500 ( 1.155 2.063 1.129) 2.620 ======================= Grid point 443 (219/336) ======================= q-point: (-0.09 0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -4.004 1.003 -4.742) 6.286 2.747 ( -0.941 3.275 3.283) 4.732 3.091 ( -0.282 4.756 9.195) 10.356 3.500 ( -0.702 -0.766 -3.136) 3.303 4.306 ( -5.023 -0.509 -2.443) 5.609 4.417 ( -1.911 -6.098 0.509) 6.411 4.593 ( -2.737 4.888 -7.737) 9.553 5.188 ( 4.286 -9.148 -7.878) 12.811 5.319 ( -3.176 -9.379 -5.924) 11.539 5.801 ( -5.832 -6.391 -0.107) 8.652 6.256 ( 0.420 4.972 3.951) 6.365 6.290 ( -5.109 2.863 -1.999) 6.188 6.523 ( 7.177 -6.524 -7.846) 12.475 7.079 ( -7.915 7.486 -6.765) 12.824 7.157 ( 4.167 5.634 -1.379) 7.142 7.564 ( 4.713 -4.059 4.200) 7.505 7.709 ( -0.694 -9.835 1.501) 9.973 8.050 ( 8.934 -3.922 0.033) 9.757 8.391 ( 1.147 2.212 -2.043) 3.222 8.644 ( -5.729 6.749 -0.324) 8.858 9.153 ( -8.782 -2.225 -10.941) 14.204 9.567 ( -3.200 5.024 2.761) 6.565 9.823 ( 1.522 -0.706 -1.490) 2.244 10.305 ( 6.225 -0.975 9.570) 11.458 11.681 ( -1.565 7.644 0.107) 7.803 12.246 ( -8.264 -0.890 11.728) 14.375 12.687 ( 11.357 0.085 -3.826) 11.985 13.622 ( -0.826 0.442 0.790) 1.226 13.708 ( -2.360 0.794 -4.112) 4.807 14.181 ( -0.115 -2.094 1.720) 2.712 16.554 ( 0.943 11.034 -1.766) 11.214 17.008 ( -5.817 8.289 -5.563) 11.554 17.593 ( 8.784 -0.663 6.966) 11.231 18.832 ( -12.144 -9.940 20.645) 25.932 19.300 ( 11.306 -4.567 -19.603) 23.086 22.507 ( 2.017 3.120 1.017) 3.852 ======================= Grid point 450 (220/336) ======================= q-point: ( 0.55 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -10.555 -0.000 4.059) 11.308 2.883 ( 8.499 0.000 3.586) 9.225 3.171 ( 5.577 0.000 14.321) 15.369 3.237 ( -2.503 -0.000 2.479) 3.523 4.198 ( -5.700 -0.000 3.516) 6.697 4.472 ( 3.603 0.000 -7.584) 8.396 4.631 ( -0.147 -0.000 -2.644) 2.648 5.285 ( 5.894 0.000 0.037) 5.894 5.371 ( -3.216 -0.000 0.635) 3.278 5.853 ( -4.592 -0.000 -2.481) 5.220 6.047 ( 0.165 0.000 -8.138) 8.139 6.277 ( 0.499 0.000 -0.648) 0.817 6.699 ( 7.288 0.000 8.175) 10.952 6.999 ( 7.537 0.000 3.656) 8.377 7.107 ( 5.149 0.000 -6.923) 8.628 7.288 ( -10.564 -0.000 -1.660) 10.694 7.649 ( 1.701 0.000 -9.236) 9.391 7.943 ( -2.399 -0.000 -3.843) 4.531 8.287 ( -2.023 -0.000 0.933) 2.228 9.133 ( 2.304 0.000 6.638) 7.027 9.234 ( 9.567 0.000 12.184) 15.491 9.602 ( -1.744 -0.000 -1.071) 2.047 9.752 ( -1.231 -0.000 -9.215) 9.297 9.911 ( -1.611 -0.000 -0.524) 1.694 11.882 ( 8.294 0.000 -0.005) 8.294 12.324 ( -2.257 -0.000 15.196) 15.363 12.820 ( -9.359 -0.000 -1.998) 9.570 13.563 ( 3.398 0.000 1.541) 3.731 13.802 ( -0.310 -0.000 -5.577) 5.586 14.052 ( -2.209 -0.000 -1.511) 2.676 16.874 ( -0.895 -0.000 -0.755) 1.171 17.112 ( 0.791 0.000 17.759) 17.777 18.080 ( 20.926 0.000 -3.371) 21.196 18.310 ( -8.570 -0.000 17.094) 19.122 18.914 ( -9.315 -0.000 -25.602) 27.243 22.503 ( -1.042 -0.000 0.456) 1.137 ======================= Grid point 452 (221/336) ======================= q-point: (-0.36 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -11.083 1.152 0.657) 11.162 3.032 ( 7.983 4.376 4.029) 9.956 3.149 ( -4.250 6.339 4.466) 8.842 3.333 ( 3.243 -2.545 6.507) 7.703 4.136 ( -6.823 -4.711 3.955) 9.186 4.497 ( 5.073 -0.937 -7.692) 9.262 4.644 ( 0.535 -3.677 -2.183) 4.309 5.144 ( -10.416 0.776 -6.869) 12.501 5.409 ( 0.001 1.672 -0.960) 1.928 5.770 ( -5.775 -3.886 -2.762) 7.489 6.051 ( 4.031 -3.344 -7.902) 9.480 6.301 ( 4.271 2.495 1.120) 5.072 6.828 ( 3.769 6.406 9.019) 11.687 7.114 ( -2.258 -1.505 -4.813) 5.525 7.153 ( 3.082 -1.015 5.017) 5.975 7.224 ( 7.676 -5.005 -3.841) 9.936 7.601 ( -1.021 0.194 -8.140) 8.206 7.877 ( -2.243 -0.834 -4.325) 4.943 8.276 ( -0.170 -0.266 2.376) 2.396 9.143 ( -2.390 3.731 1.297) 4.617 9.406 ( 1.491 0.492 1.209) 1.982 9.532 ( -2.423 -2.576 1.269) 3.757 9.732 ( 3.645 0.364 -4.768) 6.012 9.969 ( 5.512 -0.381 6.386) 8.445 12.012 ( 9.573 3.262 -1.130) 10.177 12.330 ( -6.291 -0.021 10.679) 12.394 12.604 ( -13.467 0.615 -1.995) 13.627 13.642 ( 4.415 1.530 1.466) 4.897 13.780 ( -0.085 -3.173 -4.755) 5.717 14.029 ( -0.065 0.045 0.768) 0.772 16.838 ( -0.802 2.258 -2.859) 3.730 17.197 ( -1.528 2.061 16.535) 16.732 18.161 ( -5.542 14.543 2.374) 15.743 18.466 ( 18.578 1.669 4.434) 19.173 18.688 ( -8.182 -18.026 -16.603) 25.837 22.506 ( 0.885 0.316 1.082) 1.433 ======================= Grid point 453 (222/336) ======================= q-point: (-0.27 0.55 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -6.388 3.008 -2.606) 7.527 2.966 ( -6.505 8.002 2.547) 10.622 3.168 ( 3.810 4.115 6.939) 8.922 3.415 ( 0.959 -3.715 0.317) 3.850 4.131 ( -4.255 -7.009 6.357) 10.375 4.527 ( 2.135 2.053 -7.263) 7.843 4.667 ( 1.095 -2.834 -5.006) 5.856 4.966 ( -7.148 -6.674 -7.195) 12.141 5.316 ( -5.312 0.887 -6.906) 8.758 5.711 ( -4.988 -5.759 -3.142) 8.241 6.130 ( 5.989 -5.235 -6.630) 10.355 6.369 ( 6.325 5.089 2.929) 8.631 6.729 ( -7.006 10.739 0.635) 12.839 7.146 ( 4.500 -3.562 1.364) 5.899 7.279 ( 2.765 -3.273 1.974) 4.718 7.329 ( 4.864 -0.060 -3.918) 6.246 7.533 ( -3.593 -2.808 -1.409) 4.773 7.873 ( 4.137 -2.142 -4.532) 6.500 8.323 ( 2.775 -1.064 3.415) 4.527 9.004 ( -6.143 8.018 -4.084) 10.895 9.288 ( -8.370 -2.304 -8.427) 12.099 9.619 ( 1.785 -1.067 6.534) 6.857 9.769 ( 3.597 -0.419 -3.805) 5.253 10.131 ( 6.816 0.268 11.082) 13.013 12.041 ( 0.243 11.733 0.020) 11.735 12.274 ( -7.619 -1.319 7.723) 10.929 12.467 ( -1.434 -6.310 -2.009) 6.775 13.670 ( 2.389 3.282 -1.270) 4.253 13.784 ( -0.789 -1.465 -2.139) 2.710 14.063 ( 1.898 -2.122 1.753) 3.344 16.783 ( 0.862 5.553 -2.348) 6.090 17.226 ( -3.858 1.116 10.372) 11.122 17.863 ( -6.908 18.311 -6.062) 20.488 18.562 ( -13.602 -15.954 11.578) 23.950 18.936 ( 24.627 -5.403 -10.917) 27.475 22.532 ( 2.102 1.254 1.330) 2.786 ======================= Grid point 454 (223/336) ======================= q-point: (-0.18 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -1.188 5.885 -4.026) 7.228 2.806 ( -8.386 2.965 2.311) 9.190 3.184 ( -2.157 4.702 6.333) 8.177 3.437 ( -2.364 -5.474 -3.164) 6.750 4.214 ( 0.201 -6.838 8.499) 10.910 4.399 ( -5.709 3.938 -8.485) 10.959 4.673 ( 3.207 2.339 -7.098) 8.133 4.980 ( 1.622 -12.752 -8.598) 15.465 5.196 ( -4.971 -3.490 -5.524) 8.210 5.681 ( -2.961 -5.769 -3.460) 7.350 6.244 ( 6.234 -4.332 -5.158) 9.178 6.404 ( -0.813 7.561 4.547) 8.861 6.532 ( -1.127 6.223 -4.674) 7.864 7.197 ( -6.097 4.597 -8.419) 11.366 7.248 ( 5.730 4.256 1.994) 7.411 7.424 ( 1.216 -10.765 0.469) 10.843 7.576 ( 1.720 -3.559 7.224) 8.235 7.984 ( 8.741 -3.190 -3.347) 9.889 8.404 ( 3.359 -0.423 1.895) 3.880 8.789 ( -6.559 8.379 -4.390) 11.511 9.114 ( -9.384 -2.302 -9.503) 13.552 9.637 ( -2.030 2.323 2.909) 4.240 9.803 ( 2.046 -1.254 -2.978) 3.824 10.292 ( 4.470 -0.431 10.897) 11.786 11.862 ( -6.143 11.269 1.484) 12.920 12.214 ( -7.851 -2.024 8.541) 11.777 12.614 ( 9.679 -7.468 -1.713) 12.345 13.664 ( 2.326 3.029 -2.538) 4.585 13.741 ( -2.213 2.763 -1.537) 3.859 14.130 ( 1.495 -3.124 1.499) 3.774 16.737 ( 2.359 8.251 -1.347) 8.687 17.133 ( -7.742 4.227 -2.823) 9.261 17.654 ( -0.778 7.597 4.137) 8.685 18.545 ( -18.141 -18.066 12.865) 28.653 19.285 ( 23.430 0.868 -11.066) 25.926 22.560 ( 2.611 2.431 1.033) 3.714 ======================= Grid point 455 (224/336) ======================= q-point: (-0.09 -0.45 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 1.156 7.781 -2.719) 8.323 2.664 ( -11.145 -2.705 0.874) 11.502 3.093 ( -8.752 0.155 2.875) 9.214 3.421 ( -3.406 -3.158 1.237) 4.807 4.152 ( -7.788 3.108 -9.020) 12.315 4.407 ( 4.745 -4.204 3.590) 7.286 4.650 ( 4.357 5.918 -4.090) 8.410 5.084 ( 2.376 -12.507 -9.519) 15.896 5.182 ( -0.122 -7.658 -2.880) 8.182 5.687 ( 0.284 -4.053 -2.218) 4.629 6.239 ( -5.812 7.465 1.779) 9.627 6.336 ( 3.741 2.158 -2.157) 4.828 6.560 ( 6.551 -1.909 -7.791) 10.357 6.971 ( -7.325 7.481 -6.351) 12.246 7.283 ( 2.160 3.962 2.816) 5.319 7.573 ( 4.145 -10.627 -0.095) 11.407 7.681 ( 1.948 -2.612 6.060) 6.880 8.149 ( 8.801 -4.349 -2.062) 10.031 8.415 ( 0.195 3.923 -4.236) 5.777 8.618 ( -5.809 6.108 1.887) 8.638 8.929 ( -7.550 -2.518 -10.141) 12.891 9.577 ( -2.231 4.041 1.582) 4.879 9.817 ( 0.236 -1.389 -2.565) 2.926 10.406 ( 1.355 -1.729 7.548) 7.861 11.701 ( -4.639 6.517 2.416) 8.356 12.159 ( -8.559 -1.616 10.004) 13.264 12.828 ( 9.302 -4.272 -0.330) 10.242 13.648 ( -0.352 5.111 1.235) 5.270 13.679 ( 2.184 0.912 -6.425) 6.847 14.173 ( -0.193 -1.617 1.369) 2.127 16.645 ( -1.631 10.960 -3.861) 11.734 16.968 ( -2.528 4.365 -2.551) 5.653 17.716 ( 3.403 -4.817 8.040) 9.971 18.462 ( -20.895 -16.185 10.126) 28.303 19.522 ( 18.315 6.333 -10.347) 21.968 22.583 ( 2.893 3.028 0.444) 4.212 ======================= Grid point 463 (225/336) ======================= q-point: (-0.36 -0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -5.453 -0.000 -1.876) 5.767 3.055 ( -11.215 -0.000 2.152) 11.419 3.199 ( 5.761 0.000 4.835) 7.521 3.376 ( -0.469 -0.000 0.775) 0.906 4.060 ( -2.932 -0.000 6.186) 6.846 4.551 ( 6.486 0.000 -5.623) 8.584 4.634 ( 2.795 0.000 -4.015) 4.892 4.895 ( -13.417 -0.000 -8.697) 15.989 5.333 ( -6.660 -0.000 -6.277) 9.152 5.651 ( -3.375 -0.000 -5.118) 6.131 6.080 ( 7.024 0.000 -7.136) 10.013 6.423 ( 6.306 0.000 3.773) 7.348 6.893 ( -11.164 -0.000 -4.493) 12.034 7.030 ( 6.307 0.000 10.444) 12.200 7.279 ( 4.094 0.000 -3.514) 5.395 7.314 ( 8.076 0.000 0.043) 8.076 7.512 ( -4.553 -0.000 -3.477) 5.729 7.850 ( 3.723 0.000 -4.658) 5.963 8.313 ( 2.615 0.000 3.493) 4.363 9.099 ( -5.025 -0.000 -1.516) 5.248 9.251 ( -9.902 -0.000 -11.407) 15.106 9.605 ( 3.246 0.000 6.743) 7.484 9.765 ( 3.450 0.000 -4.350) 5.551 10.133 ( 6.503 0.000 12.003) 13.652 12.194 ( 7.902 0.000 3.180) 8.518 12.262 ( -4.359 -0.000 2.752) 5.155 12.363 ( -14.742 -0.000 0.032) 14.742 13.729 ( 0.329 0.000 -5.932) 5.941 13.743 ( 4.176 0.000 2.626) 4.933 14.044 ( 0.961 0.000 1.356) 1.662 16.838 ( 1.805 0.000 -3.552) 3.984 17.236 ( -5.801 -0.000 12.911) 14.155 18.196 ( -8.521 -0.000 12.811) 15.387 18.236 ( -14.929 -0.000 -15.563) 21.566 18.899 ( 27.473 0.000 -3.431) 27.687 22.544 ( 2.454 0.000 1.403) 2.826 ======================= Grid point 464 (226/336) ======================= q-point: (-0.27 -0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 2.262 3.523 -2.516) 4.885 2.849 ( -14.304 1.328 2.863) 14.648 3.247 ( -6.090 1.628 2.888) 6.934 3.341 ( -0.776 -3.250 -2.783) 4.348 4.123 ( 3.709 -2.536 7.697) 8.912 4.522 ( -3.910 8.771 -7.060) 11.919 4.681 ( 2.411 -1.740 -5.575) 6.318 4.745 ( 1.620 -10.629 -8.649) 13.799 5.168 ( -7.592 -0.241 -6.183) 9.794 5.602 ( -0.405 -2.304 -4.970) 5.493 6.180 ( 9.078 -1.894 -6.247) 11.181 6.510 ( 2.590 3.079 2.496) 4.734 6.672 ( -6.947 6.441 -3.979) 10.275 7.179 ( -0.108 -6.126 3.475) 7.044 7.306 ( -3.945 0.353 -7.748) 8.702 7.312 ( 3.894 1.791 0.934) 4.386 7.533 ( 3.976 -1.324 8.389) 9.378 7.937 ( 8.955 -1.501 -4.920) 10.327 8.393 ( 3.968 -0.457 3.447) 5.276 8.940 ( -7.416 7.323 -6.206) 12.130 9.053 ( -9.094 -4.471 -8.701) 13.357 9.659 ( -0.309 0.352 3.256) 3.289 9.785 ( 1.942 -0.530 -4.183) 4.642 10.288 ( 3.173 -0.094 11.934) 12.349 12.076 ( -10.286 10.270 4.515) 15.220 12.179 ( -8.692 -1.932 7.328) 11.531 12.449 ( 11.293 -8.181 -3.298) 14.330 13.702 ( 1.936 0.940 -6.390) 6.743 13.800 ( 1.594 2.570 2.388) 3.853 14.077 ( 1.153 -2.028 0.788) 2.462 16.850 ( 3.786 3.445 -2.212) 5.576 17.167 ( -9.029 0.252 3.503) 9.688 17.857 ( -10.460 12.242 -1.369) 16.160 18.218 ( -12.737 -15.332 8.655) 21.730 19.299 ( 25.311 0.414 -6.051) 26.027 22.593 ( 2.970 0.915 1.043) 3.278 ======================= Grid point 465 (227/336) ======================= q-point: (-0.18 -0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 6.238 10.259 -0.491) 12.017 2.626 ( -15.911 -1.328 3.066) 16.258 3.050 ( -15.438 -4.560 -4.641) 16.753 3.364 ( -2.027 -1.922 4.489) 5.287 4.240 ( -2.582 5.249 -3.349) 6.741 4.352 ( 5.303 -0.433 -1.631) 5.565 4.705 ( 2.518 -1.822 -5.155) 6.019 4.864 ( 5.101 -8.334 -7.396) 12.255 5.071 ( -2.714 -4.189 -2.623) 5.638 5.623 ( 3.427 -2.512 -2.855) 5.119 6.314 ( 9.389 -0.548 -5.754) 11.025 6.419 ( -5.376 7.569 1.703) 9.439 6.583 ( 2.834 3.344 -6.044) 7.467 7.095 ( -6.807 5.047 -4.930) 9.804 7.246 ( -4.414 -9.113 -1.312) 10.210 7.438 ( 7.106 -0.562 5.434) 8.964 7.657 ( 3.362 -0.796 6.832) 7.656 8.081 ( 9.585 -2.786 -4.770) 11.063 8.464 ( 2.373 1.276 0.764) 2.800 8.723 ( -6.467 4.690 -4.727) 9.283 8.895 ( -8.321 -1.112 -7.324) 11.141 9.634 ( -1.904 1.962 -0.045) 2.734 9.789 ( -0.041 -1.362 -2.625) 2.958 10.378 ( -0.186 -1.096 8.729) 8.799 11.860 ( -7.920 9.506 4.238) 13.079 12.123 ( -8.066 -2.231 10.342) 13.305 12.691 ( 10.597 -8.473 -1.932) 13.705 13.696 ( 3.477 0.856 -7.543) 8.350 13.775 ( -0.259 6.972 2.044) 7.271 14.123 ( 0.532 -3.455 0.503) 3.532 16.831 ( -0.659 8.411 -3.007) 8.957 17.016 ( -5.306 0.406 -3.635) 6.445 17.681 ( -6.501 1.092 8.042) 10.399 18.182 ( -14.738 -12.869 8.737) 21.428 19.612 ( 20.937 3.253 -8.099) 22.684 22.630 ( 2.773 1.841 0.154) 3.333 ======================= Grid point 466 (228/336) ======================= q-point: (-0.09 -0.36 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 3.043 15.572 2.686) 16.092 2.380 ( -19.419 -4.174 1.325) 19.907 2.871 ( -11.913 -9.293 -0.716) 15.125 3.356 ( -6.679 -2.827 8.564) 11.222 4.030 ( -5.022 5.710 -11.274) 13.598 4.517 ( 8.816 0.799 -0.850) 8.893 4.733 ( 4.137 0.666 -3.983) 5.781 4.986 ( 4.605 -9.704 -1.591) 10.859 5.107 ( 1.305 -6.740 -3.591) 7.748 5.729 ( 8.649 -0.684 0.564) 8.694 6.274 ( -1.095 9.561 2.601) 9.969 6.415 ( 5.356 3.746 -6.100) 8.940 6.556 ( 1.238 0.669 -10.186) 10.282 6.935 ( -1.802 4.948 -1.808) 5.568 7.264 ( -3.128 -7.065 0.762) 7.764 7.589 ( 5.433 -5.502 1.325) 7.845 7.728 ( 0.684 -0.186 4.899) 4.950 8.227 ( 8.156 -3.082 -4.129) 9.647 8.413 ( -1.681 4.954 -5.833) 7.835 8.592 ( -6.594 6.624 2.941) 9.799 8.766 ( -2.882 -4.148 -5.110) 7.185 9.594 ( 0.567 1.962 -1.119) 2.329 9.774 ( -1.994 -1.596 -1.484) 2.954 10.415 ( -2.378 -2.273 5.266) 6.209 11.696 ( -6.010 6.891 3.678) 9.855 12.067 ( -9.462 -0.816 11.405) 14.842 12.901 ( 6.992 -6.591 -1.016) 9.662 13.691 ( 1.584 3.647 -2.704) 4.809 13.730 ( 3.722 4.120 -3.586) 6.610 14.154 ( -0.700 -2.403 0.900) 2.659 16.629 ( -7.202 8.160 -6.515) 12.684 16.993 ( 2.073 1.783 -0.117) 2.737 17.678 ( -6.967 -9.483 8.091) 14.281 18.106 ( -13.474 -9.685 8.722) 18.746 19.810 ( 16.492 7.428 -8.671) 20.058 22.650 ( 2.346 2.105 -0.713) 3.231 ======================= Grid point 475 (229/336) ======================= q-point: (-0.27 -0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 9.774 0.000 0.670) 9.797 2.613 ( -17.946 -0.000 5.652) 18.815 2.988 ( -18.894 -0.000 -9.347) 21.080 3.350 ( -1.823 -0.000 5.712) 5.996 4.279 ( 10.847 0.000 6.337) 12.562 4.403 ( -8.619 -0.000 -14.237) 16.643 4.612 ( 2.680 0.000 -3.497) 4.406 4.817 ( 9.426 0.000 -5.948) 11.146 5.031 ( -5.097 -0.000 -2.232) 5.564 5.599 ( 4.512 0.000 -3.053) 5.448 6.303 ( 11.774 0.000 -6.158) 13.287 6.503 ( -4.288 -0.000 -0.096) 4.289 6.634 ( 0.657 0.000 -5.579) 5.618 7.108 ( -4.670 -0.000 0.300) 4.679 7.157 ( -7.452 -0.000 -4.958) 8.951 7.448 ( 6.062 0.000 5.994) 8.525 7.648 ( 4.052 0.000 6.946) 8.041 8.053 ( 10.057 0.000 -5.887) 11.653 8.474 ( 3.465 0.000 3.288) 4.777 8.772 ( -9.504 -0.000 -11.897) 15.227 8.885 ( -6.138 -0.000 -2.018) 6.461 9.651 ( -1.632 -0.000 -0.984) 1.906 9.775 ( -0.143 -0.000 -2.448) 2.452 10.368 ( -0.939 -0.000 9.250) 9.297 11.986 ( -9.901 -0.000 3.293) 10.434 12.083 ( -8.341 -0.000 13.611) 15.964 12.592 ( 12.329 0.000 -3.951) 12.947 13.705 ( 3.576 0.000 -7.955) 8.722 13.856 ( 0.744 0.000 2.876) 2.971 14.076 ( 0.317 0.000 -0.487) 0.581 16.932 ( 5.098 0.000 -1.302) 5.261 16.997 ( -11.457 -0.000 -4.120) 12.175 17.713 ( -14.066 -0.000 6.086) 15.326 18.040 ( -8.859 -0.000 8.973) 12.609 19.643 ( 21.900 0.000 -7.309) 23.088 22.648 ( 2.739 0.000 0.046) 2.739 ======================= Grid point 476 (230/336) ======================= q-point: (-0.18 -0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 8.458 11.292 5.870) 15.280 2.348 ( -20.574 0.714 5.822) 21.394 2.653 ( -18.029 -11.011 -7.370) 22.374 3.322 ( -7.827 -0.783 9.238) 12.133 4.152 ( -6.419 5.689 -14.433) 16.789 4.509 ( 11.930 -1.554 0.204) 12.033 4.671 ( 3.648 -4.568 -3.648) 6.891 4.914 ( 6.500 0.890 -1.921) 6.836 5.006 ( 0.708 -3.903 -0.690) 4.026 5.717 ( 11.003 -0.433 0.855) 11.045 6.437 ( 0.555 5.667 0.651) 5.731 6.465 ( 11.543 1.373 -6.494) 13.316 6.575 ( -0.770 2.023 -8.838) 9.099 7.019 ( -5.306 2.820 -1.304) 6.149 7.074 ( -4.262 -9.087 -0.711) 10.062 7.550 ( 2.714 -0.217 2.981) 4.037 7.729 ( 1.295 0.059 5.210) 5.369 8.186 ( 10.225 -1.193 -5.562) 11.701 8.504 ( -1.075 4.641 -1.710) 5.061 8.607 ( -3.983 -4.080 -2.182) 6.105 8.764 ( -5.948 2.583 -2.650) 7.005 9.611 ( -0.459 0.105 -4.578) 4.602 9.755 ( -1.959 -0.444 0.737) 2.140 10.382 ( -3.339 -1.022 6.165) 7.085 11.833 ( -8.043 5.733 4.067) 10.682 12.048 ( -8.307 -1.093 13.781) 16.128 12.770 ( 9.160 -5.181 -3.329) 11.037 13.720 ( 4.781 0.574 -8.391) 9.675 13.845 ( -0.588 5.285 2.166) 5.742 14.093 ( 0.027 -3.289 -0.433) 3.317 16.755 ( -10.128 4.346 -7.713) 13.452 17.000 ( 3.006 -0.520 -1.524) 3.411 17.554 ( -13.547 -3.427 10.355) 17.393 17.975 ( -8.954 -3.780 9.505) 13.594 19.906 ( 18.567 2.650 -8.865) 20.745 22.678 ( 1.994 0.811 -1.130) 2.431 ======================= Grid point 477 (231/336) ======================= q-point: (-0.09 -0.27 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -7.865 20.484 5.861) 22.711 2.058 ( -17.027 -3.182 11.207) 20.631 2.572 ( -9.253 -16.595 -0.872) 19.020 3.227 ( -13.779 -2.526 11.520) 18.137 3.965 ( -0.215 4.179 -10.097) 10.930 4.641 ( 6.831 0.261 -7.620) 10.237 4.756 ( 4.934 -2.812 -2.987) 6.417 5.034 ( 4.897 -3.124 4.500) 7.348 5.077 ( 5.763 -3.432 -3.360) 7.502 5.960 ( 17.103 2.084 4.547) 17.819 6.400 ( 0.821 10.311 2.405) 10.620 6.429 ( -0.603 2.863 -8.427) 8.921 6.601 ( 8.771 5.385 -8.177) 13.145 6.931 ( -1.543 -0.287 -2.801) 3.211 7.136 ( -0.488 -10.706 0.057) 10.717 7.585 ( 0.068 -4.728 -2.202) 5.216 7.758 ( -0.174 0.556 3.985) 4.027 8.333 ( 9.414 0.321 -1.725) 9.577 8.394 ( -2.374 4.672 -4.146) 6.682 8.567 ( -6.505 5.997 3.376) 9.470 8.684 ( -0.170 -5.256 -1.265) 5.409 9.596 ( 1.882 -2.178 -7.313) 7.859 9.733 ( -2.110 0.533 4.005) 4.558 10.363 ( -4.619 -2.230 4.180) 6.617 11.671 ( -7.609 6.334 2.427) 10.193 11.978 ( -10.607 0.539 11.760) 15.846 12.927 ( 5.677 -6.074 -3.405) 8.984 13.742 ( 3.730 1.920 -3.545) 5.492 13.799 ( 1.623 4.142 -1.744) 4.778 14.124 ( -0.126 -2.931 0.819) 3.046 16.524 ( -7.288 4.462 -6.677) 10.844 17.012 ( -0.510 -0.513 -3.036) 3.121 17.448 ( -14.344 -8.764 8.132) 18.673 17.939 ( -8.535 -5.208 10.967) 14.841 20.089 ( 16.883 6.899 -8.728) 20.219 22.685 ( 1.129 1.056 -1.847) 2.409 ======================= Grid point 487 (232/336) ======================= q-point: (-0.18 -0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -9.493 -0.000 15.423) 18.110 2.095 ( -20.844 -0.000 12.193) 24.149 2.277 ( -5.666 -0.000 -9.194) 10.799 3.207 ( -13.356 -0.000 10.503) 16.991 4.015 ( -1.870 -0.000 -12.114) 12.258 4.619 ( 5.326 0.000 -8.256) 9.825 4.731 ( 6.822 0.000 -0.783) 6.866 5.024 ( 3.946 0.000 1.914) 4.386 5.035 ( 8.389 0.000 -0.066) 8.389 5.978 ( 18.981 0.000 5.004) 19.630 6.458 ( -0.595 -0.000 -8.074) 8.096 6.534 ( -0.093 -0.000 1.048) 1.052 6.650 ( 13.269 0.000 -7.878) 15.432 6.945 ( -4.382 -0.000 -1.387) 4.596 6.979 ( -0.069 -0.000 -1.035) 1.037 7.546 ( -2.218 -0.000 -2.257) 3.165 7.764 ( 0.042 0.000 3.941) 3.941 8.332 ( 11.678 0.000 -2.524) 11.947 8.461 ( -3.695 -0.000 -3.378) 5.007 8.566 ( -1.349 -0.000 5.822) 5.976 8.677 ( -5.047 -0.000 -2.978) 5.860 9.569 ( 0.250 0.000 -8.020) 8.024 9.740 ( -1.271 -0.000 4.331) 4.513 10.340 ( -4.980 -0.000 4.622) 6.795 11.747 ( -8.532 -0.000 2.872) 9.002 11.983 ( -10.114 -0.000 11.854) 15.583 12.853 ( 7.243 0.000 -4.212) 8.379 13.756 ( 5.222 0.000 -7.238) 8.925 13.862 ( -2.301 -0.000 2.445) 3.358 14.081 ( 1.352 0.000 -0.219) 1.370 16.572 ( -8.232 -0.000 -7.907) 11.415 17.002 ( -0.885 -0.000 -4.332) 4.421 17.362 ( -15.480 -0.000 10.346) 18.619 17.890 ( -8.635 -0.000 11.742) 14.575 20.156 ( 18.220 0.000 -9.227) 20.423 22.695 ( 0.956 0.000 -2.135) 2.339 ======================= Grid point 488 (233/336) ======================= q-point: (-0.09 -0.18 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -22.782 16.774 9.339) 29.793 1.936 ( -14.862 -8.673 20.413) 26.698 2.311 ( -4.835 -9.484 5.997) 12.218 3.017 ( -17.277 -0.557 6.809) 18.579 4.004 ( 7.747 1.233 -3.840) 8.734 4.610 ( 0.556 -3.423 -12.929) 13.386 4.846 ( 7.375 0.309 1.252) 7.487 5.121 ( 6.876 1.315 0.673) 7.033 5.186 ( 8.944 -1.609 0.199) 9.090 6.344 ( 19.662 3.667 6.468) 21.021 6.369 ( -0.154 2.590 -4.873) 5.521 6.515 ( -0.372 5.253 1.387) 5.446 6.771 ( 10.459 3.442 -8.988) 14.214 6.840 ( -5.125 0.737 -3.488) 6.243 7.077 ( 4.696 -7.831 -2.395) 9.440 7.525 ( 1.552 -4.311 -2.153) 5.063 7.800 ( 2.541 0.462 4.075) 4.824 8.368 ( -2.829 3.197 -3.599) 5.584 8.485 ( -2.344 6.454 3.846) 7.870 8.544 ( 3.893 -0.323 1.906) 4.347 8.634 ( 0.303 -4.839 0.814) 4.916 9.531 ( -0.281 -2.486 -7.967) 8.351 9.770 ( 1.977 0.571 4.659) 5.093 10.280 ( -6.611 -1.414 3.359) 7.549 11.593 ( -9.511 4.627 0.601) 10.594 11.846 ( -13.651 -1.173 5.817) 14.885 12.949 ( 5.886 -2.759 -4.246) 7.764 13.798 ( 2.660 1.527 -1.303) 3.332 13.826 ( -0.072 0.579 -0.637) 0.864 14.134 ( 3.510 -1.131 2.342) 4.369 16.418 ( -4.209 1.631 -6.012) 7.518 16.923 ( -5.380 -1.251 -5.638) 7.893 17.191 ( -15.323 -5.619 7.419) 17.928 17.814 ( -11.648 -2.659 10.961) 16.214 20.384 ( 19.125 4.842 -7.431) 21.082 22.686 ( -0.175 0.364 -2.385) 2.419 ======================= Grid point 499 (234/336) ======================= q-point: (-0.09 -0.09 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -20.157 -0.000 14.087) 24.592 1.593 ( -20.340 -0.000 17.053) 26.543 2.335 ( -1.574 -0.000 23.657) 23.709 2.743 ( -19.801 -0.000 1.982) 19.900 4.178 ( 12.969 0.000 0.991) 13.007 4.487 ( -2.456 -0.000 -14.740) 14.943 4.993 ( 8.462 0.000 3.889) 9.313 5.265 ( 8.995 0.000 -1.128) 9.066 5.307 ( 7.836 0.000 -1.617) 8.002 6.320 ( -3.610 -0.000 -1.656) 3.971 6.518 ( -0.630 -0.000 0.736) 0.968 6.711 ( -7.675 -0.000 -0.630) 7.700 6.763 ( 17.043 0.000 2.779) 17.268 6.859 ( 9.869 0.000 -9.020) 13.371 7.147 ( 8.260 0.000 -3.234) 8.870 7.567 ( 6.555 0.000 0.681) 6.591 7.918 ( 8.564 0.000 5.263) 10.052 8.305 ( -4.408 -0.000 -3.932) 5.907 8.370 ( -11.466 -0.000 -1.539) 11.569 8.627 ( 1.657 0.000 1.108) 1.993 8.724 ( 8.607 0.000 8.282) 11.945 9.473 ( 0.446 0.000 -6.501) 6.517 9.845 ( 3.621 0.000 3.294) 4.895 10.155 ( -10.143 -0.000 0.515) 10.156 11.464 ( -9.723 -0.000 -1.156) 9.792 11.586 ( -16.909 -0.000 -1.085) 16.944 13.020 ( 6.897 0.000 -3.643) 7.800 13.789 ( -3.356 -0.000 1.957) 3.885 13.857 ( 3.431 0.000 -1.894) 3.919 14.255 ( 8.465 0.000 6.440) 10.636 16.361 ( 0.434 0.000 -4.462) 4.483 16.792 ( -5.413 -0.000 -3.054) 6.215 16.945 ( -16.035 -0.000 5.000) 16.796 17.640 ( -15.147 -0.000 7.422) 16.867 20.681 ( 18.407 0.000 -5.388) 19.179 22.659 ( -1.618 -0.000 -2.029) 2.595 ======================= Grid point 500 (235/336) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -1.761 -0.000 12.881) 13.001 1.837 ( 8.328 0.000 9.462) 12.605 2.186 ( -9.115 -0.000 2.984) 9.591 3.140 ( 0.641 0.000 13.551) 13.566 3.942 ( -1.308 -0.000 -11.202) 11.278 4.707 ( 7.625 0.000 5.099) 9.173 5.374 ( 1.133 0.000 -2.551) 2.792 5.379 ( 4.448 0.000 2.736) 5.222 5.429 ( 1.882 0.000 -1.650) 2.503 6.117 ( -5.748 -0.000 2.506) 6.271 6.409 ( -7.869 -0.000 3.401) 8.572 6.718 ( 5.149 0.000 -7.182) 8.837 6.797 ( 7.558 0.000 2.653) 8.010 7.099 ( -2.308 -0.000 -5.763) 6.208 7.451 ( 3.902 0.000 1.321) 4.120 7.745 ( 2.082 0.000 1.759) 2.726 7.875 ( -7.837 -0.000 1.038) 7.905 7.974 ( -4.614 -0.000 -4.592) 6.510 8.490 ( 6.256 0.000 2.580) 6.767 8.662 ( 4.391 0.000 -3.588) 5.670 9.180 ( 1.766 0.000 2.461) 3.029 9.509 ( 6.395 0.000 1.373) 6.541 9.550 ( -8.523 -0.000 -4.162) 9.485 9.976 ( -0.974 -0.000 1.794) 2.042 11.080 ( -3.807 -0.000 -3.413) 5.113 11.328 ( 1.712 0.000 0.862) 1.917 13.030 ( -0.516 -0.000 -2.626) 2.677 13.760 ( -0.809 -0.000 1.105) 1.369 13.849 ( -0.510 -0.000 -1.088) 1.201 14.679 ( 0.645 0.000 3.496) 3.555 16.490 ( -5.928 -0.000 -0.090) 5.929 16.522 ( 4.749 0.000 0.036) 4.749 17.058 ( 16.262 0.000 2.288) 16.422 17.184 ( -11.948 -0.000 -1.408) 12.031 20.936 ( -0.482 -0.000 0.091) 0.491 22.554 ( -2.116 -0.000 -0.270) 2.133 ======================= Grid point 501 (236/336) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.018 0.656 5.187) 5.326 1.955 ( 2.688 -10.185 5.094) 11.701 2.325 ( 18.032 -3.528 9.120) 20.512 3.195 ( -0.786 1.104 7.226) 7.352 3.901 ( 1.225 -3.312 -7.117) 7.945 4.774 ( -0.124 1.497 -2.660) 3.055 5.331 ( 2.312 7.229 -2.367) 7.950 5.376 ( -5.510 0.603 -0.605) 5.576 5.505 ( 3.487 -6.130 -2.490) 7.479 6.023 ( -2.121 10.317 5.706) 11.979 6.360 ( -6.767 -7.211 6.373) 11.765 6.764 ( 4.302 -1.368 -5.363) 7.010 6.840 ( 0.124 4.195 -6.629) 7.846 6.974 ( -6.133 4.228 -1.248) 7.552 7.368 ( -12.227 -0.886 -2.550) 12.521 7.726 ( 1.268 9.111 -0.314) 9.204 7.880 ( 2.466 -0.572 4.171) 4.880 7.931 ( 1.849 0.418 2.565) 3.190 8.489 ( -3.917 1.888 -2.501) 5.016 8.645 ( -4.395 -3.041 -5.635) 7.766 9.247 ( 3.444 -3.890 -0.485) 5.218 9.519 ( 3.151 5.022 -1.335) 6.077 9.635 ( 8.831 -4.832 1.881) 10.241 9.959 ( -2.992 -1.537 2.054) 3.941 11.115 ( 4.171 -7.264 0.488) 8.391 11.442 ( 10.613 -3.670 -0.317) 11.234 12.955 ( -5.503 2.842 -1.261) 6.321 13.763 ( 0.501 0.595 1.401) 1.602 13.826 ( -2.060 -0.709 -0.551) 2.248 14.626 ( -5.858 4.511 1.917) 7.638 16.323 ( -10.672 -4.896 -0.065) 11.741 16.772 ( 17.150 -2.198 1.180) 17.331 16.952 ( -10.247 -2.992 -3.568) 11.255 17.490 ( 27.273 -3.346 0.114) 27.478 20.805 ( -11.513 7.335 0.828) 13.677 22.513 ( -3.171 0.045 1.131) 3.367 ======================= Grid point 502 (237/336) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -3.671 6.113 -0.053) 7.131 2.247 ( 10.353 -12.974 6.258) 17.739 2.763 ( 20.370 -7.254 8.338) 23.174 3.196 ( 0.247 0.434 -1.289) 1.382 3.954 ( 3.626 -5.706 -2.751) 7.299 4.649 ( -7.349 2.101 -10.302) 12.828 5.200 ( -12.115 3.158 -1.999) 12.679 5.304 ( 2.967 6.747 -1.931) 7.619 5.579 ( 1.891 -2.769 -4.088) 5.287 5.962 ( 1.637 9.077 8.025) 12.226 6.365 ( -6.639 -5.834 6.555) 11.003 6.664 ( -5.988 7.655 -10.399) 14.234 6.787 ( -1.968 6.709 1.403) 7.131 6.855 ( -0.387 -1.131 -4.495) 4.651 7.129 ( -14.253 -2.244 -5.236) 15.349 7.647 ( -1.304 3.911 -2.692) 4.924 7.940 ( 2.796 4.288 5.158) 7.267 8.029 ( 7.906 4.714 6.919) 11.515 8.342 ( -7.169 -1.246 -7.694) 10.590 8.600 ( -3.608 -4.515 0.489) 5.800 9.341 ( 3.347 -5.071 -2.359) 6.518 9.416 ( -6.553 1.762 -8.445) 10.833 9.847 ( 3.978 1.092 5.118) 6.573 10.003 ( 8.701 -3.673 3.940) 10.233 11.291 ( 7.436 -5.921 1.822) 9.678 11.740 ( 17.257 -10.784 0.813) 20.366 12.802 ( -8.389 4.423 0.514) 9.498 13.763 ( -1.278 1.611 1.054) 2.311 13.796 ( -1.733 -0.566 0.253) 1.840 14.463 ( -8.252 5.460 0.083) 9.895 16.244 ( -6.415 -7.380 0.199) 9.780 16.837 ( -5.654 -4.843 -3.548) 8.247 17.107 ( 18.827 -3.175 2.575) 19.266 17.986 ( 29.093 -5.976 -2.634) 29.817 20.458 ( -19.867 12.840 0.805) 23.669 22.472 ( -3.109 -0.484 2.305) 3.901 ======================= Grid point 503 (238/336) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -4.549 9.063 0.105) 10.141 2.546 ( 9.965 -8.392 3.122) 13.397 3.088 ( 2.916 -1.584 7.007) 7.753 3.249 ( 10.930 -7.094 -7.343) 14.957 4.079 ( 5.194 -6.819 -0.315) 8.577 4.413 ( -10.534 0.670 -12.732) 16.538 4.933 ( -14.150 5.213 -0.292) 15.082 5.268 ( 2.479 6.518 -4.284) 8.184 5.545 ( -0.759 5.352 -5.040) 7.390 6.003 ( 2.031 0.774 6.879) 7.214 6.268 ( -8.828 6.016 -2.912) 11.073 6.441 ( -10.712 2.488 3.801) 11.636 6.640 ( 1.718 10.906 -8.274) 13.797 6.899 ( -5.561 -6.681 -5.691) 10.390 6.956 ( -1.564 -4.307 0.491) 4.609 7.603 ( -0.246 -0.608 -2.169) 2.266 7.946 ( 0.502 6.126 4.770) 7.780 8.105 ( 3.570 5.089 -0.936) 6.287 8.280 ( 1.767 -1.163 0.603) 2.200 8.601 ( -3.438 -4.578 3.006) 6.467 9.192 ( -9.175 1.872 -13.143) 16.138 9.427 ( 1.126 -5.969 -1.087) 6.170 9.850 ( -1.882 0.410 2.094) 2.845 10.255 ( 11.757 -1.455 5.762) 13.173 11.462 ( 7.687 -2.668 0.567) 8.156 12.158 ( 17.761 -13.412 2.565) 22.403 12.628 ( -8.978 4.478 3.036) 10.482 13.707 ( -4.660 -0.138 0.515) 4.691 13.767 ( -1.132 3.872 -0.030) 4.034 14.298 ( -6.214 2.733 -0.709) 6.825 16.256 ( -2.185 -8.817 0.650) 9.107 16.806 ( -2.600 -5.663 -1.862) 6.504 17.447 ( 18.063 -1.479 3.207) 18.405 18.475 ( 26.356 -7.429 -5.596) 27.949 19.964 ( -24.953 15.662 1.373) 29.493 22.459 ( -1.575 -1.509 3.069) 3.765 ======================= Grid point 504 (239/336) ======================= q-point: ( 0.36 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -4.945 9.123 0.509) 10.390 2.727 ( 4.088 -2.322 -0.707) 4.754 3.098 ( 0.163 -2.011 -5.110) 5.494 3.453 ( 5.003 -4.784 3.880) 7.936 4.101 ( -8.656 -0.200 -11.967) 14.771 4.290 ( 2.639 -8.442 -2.194) 9.113 4.687 ( -10.019 4.957 2.379) 11.429 5.209 ( 1.730 6.870 -5.994) 9.280 5.428 ( -0.565 9.540 -3.455) 10.162 5.947 ( -10.384 7.519 1.461) 12.904 6.106 ( 0.218 -1.998 -5.305) 5.673 6.321 ( -7.841 -1.243 4.391) 9.072 6.558 ( 4.829 10.081 -7.220) 13.307 6.787 ( -6.749 -6.739 -5.504) 11.011 7.095 ( 5.316 -6.578 5.323) 9.993 7.619 ( 1.659 -1.837 -1.313) 2.802 7.910 ( -0.440 6.494 3.935) 7.606 8.101 ( 2.142 -0.300 -4.316) 4.828 8.347 ( 5.461 5.377 3.219) 8.312 8.589 ( -6.598 -5.238 1.626) 8.580 8.962 ( -7.089 1.153 -10.956) 13.100 9.477 ( -0.319 -4.739 -0.935) 4.841 9.831 ( -0.845 0.542 0.419) 1.088 10.437 ( 6.051 -0.422 3.529) 7.018 11.586 ( 5.286 -0.862 -0.198) 5.359 12.475 ( -4.504 3.276 0.288) 5.577 12.558 ( 10.519 -11.228 8.876) 17.762 13.633 ( -5.186 -1.255 -0.936) 5.417 13.689 ( -1.072 6.436 -0.979) 6.598 14.218 ( -2.533 -0.374 0.160) 2.565 16.330 ( 0.088 -8.979 0.199) 8.982 16.832 ( -0.414 -5.341 1.205) 5.491 17.737 ( 15.268 1.531 3.220) 15.679 18.863 ( 18.573 -6.622 -14.518) 24.486 19.431 ( -24.325 14.497 8.781) 29.648 22.488 ( 0.539 -2.312 2.825) 3.690 ======================= Grid point 505 (240/336) ======================= q-point: (-0.55 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -2.257 3.000 0.578) 3.798 2.688 ( -5.789 2.727 -4.261) 7.688 3.097 ( -0.756 -0.967 -1.684) 2.084 3.539 ( -0.270 0.204 7.070) 7.078 3.889 ( -7.419 -1.932 -11.547) 13.860 4.390 ( 0.801 -5.936 -2.596) 6.528 4.589 ( -0.512 0.045 1.920) 1.988 5.118 ( 0.450 7.080 -6.328) 9.506 5.344 ( 2.414 9.508 -0.171) 9.811 5.767 ( -3.519 4.987 1.528) 6.292 6.104 ( -0.952 -4.747 -4.089) 6.337 6.254 ( -4.111 -2.544 -1.082) 4.954 6.472 ( -2.375 3.305 -7.106) 8.189 6.783 ( 2.353 -2.548 -0.569) 3.515 7.272 ( 4.476 -5.364 5.366) 8.809 7.657 ( 2.412 -0.044 -1.145) 2.670 7.872 ( 0.030 5.640 4.170) 7.014 8.127 ( 2.520 -2.363 -4.859) 5.962 8.355 ( 1.776 8.312 -1.779) 8.684 8.505 ( -8.661 -7.504 -1.533) 11.562 8.850 ( -0.950 1.379 -2.287) 2.834 9.501 ( 0.093 -2.821 -1.450) 3.173 9.815 ( -0.727 0.634 -0.148) 0.976 10.506 ( 1.197 0.443 1.301) 1.823 11.642 ( 1.304 -0.339 -0.144) 1.354 12.376 ( -7.218 1.520 7.457) 10.489 12.839 ( 7.322 -6.969 4.288) 10.980 13.564 ( -0.739 0.402 -4.864) 4.936 13.635 ( 0.247 2.706 0.171) 2.723 14.203 ( -1.072 -0.870 0.816) 1.604 16.403 ( -0.640 -6.989 -1.356) 7.148 16.904 ( 1.388 -4.441 4.038) 6.161 17.932 ( 9.677 4.764 3.160) 11.239 18.752 ( -15.419 9.542 -12.651) 22.110 19.319 ( 6.780 -4.305 7.113) 10.729 22.544 ( 1.882 -2.222 1.296) 3.187 ======================= Grid point 506 (241/336) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.960 -7.634 0.336) 7.701 2.505 ( -9.606 4.811 2.433) 11.015 3.025 ( -6.747 4.256 1.931) 8.208 3.562 ( -0.845 2.222 7.944) 8.292 3.774 ( -2.360 -2.331 -7.795) 8.471 4.431 ( 2.583 -2.720 -2.788) 4.674 4.635 ( 2.995 -2.979 -2.472) 4.894 5.057 ( 2.658 3.567 -3.519) 5.672 5.293 ( 0.799 8.909 1.945) 9.154 5.773 ( 4.654 -0.616 3.069) 5.609 6.141 ( 2.806 -5.362 -3.960) 7.232 6.230 ( -0.856 -4.459 -2.299) 5.090 6.368 ( -4.086 -1.201 -4.388) 6.115 6.854 ( 4.880 0.511 -1.598) 5.161 7.353 ( -1.511 0.008 2.092) 2.581 7.676 ( 2.426 2.278 -1.872) 3.819 7.855 ( -0.047 4.208 4.362) 6.061 8.155 ( 1.241 -3.634 -5.480) 6.692 8.276 ( -1.499 -0.431 -2.510) 2.955 8.478 ( -1.446 -2.563 0.761) 3.040 8.832 ( 0.416 2.511 0.907) 2.702 9.519 ( 1.914 -0.334 -3.054) 3.619 9.794 ( -1.447 0.238 1.021) 1.787 10.500 ( -1.456 1.176 0.922) 2.087 11.639 ( -2.283 -1.073 0.121) 2.526 12.292 ( -9.599 -0.274 10.326) 14.101 12.962 ( 1.516 -1.251 0.751) 2.104 13.568 ( 5.531 -0.333 -6.102) 8.243 13.644 ( 1.980 -0.254 0.041) 1.996 14.198 ( -0.957 -0.047 1.043) 1.416 16.415 ( -2.398 -3.488 -2.284) 4.810 16.984 ( 1.194 -2.144 2.525) 3.521 17.949 ( -4.288 7.373 1.873) 8.732 18.399 ( -10.196 8.503 2.693) 13.547 19.534 ( 10.202 -8.291 -3.237) 13.539 22.594 ( 1.995 -1.347 -0.987) 2.602 ======================= Grid point 507 (242/336) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -3.238 -14.569 0.920) 14.952 2.395 ( -3.696 3.725 14.549) 15.466 2.835 ( -10.551 9.103 2.662) 14.187 3.497 ( -10.522 5.125 7.274) 13.780 3.802 ( 7.566 -1.645 -1.082) 7.818 4.476 ( 4.163 0.016 -8.004) 9.022 4.709 ( 5.177 -2.555 -1.235) 5.904 5.080 ( 2.715 0.403 -0.650) 2.821 5.245 ( 0.583 5.313 4.660) 7.091 5.955 ( 11.072 -7.596 2.256) 13.615 6.192 ( 0.512 -5.350 -4.932) 7.295 6.324 ( -0.127 -4.054 -5.604) 6.918 6.343 ( 7.263 -5.863 4.398) 10.318 6.883 ( 2.853 3.198 -4.947) 6.546 7.266 ( -5.092 4.480 -2.047) 7.085 7.654 ( 1.331 5.725 -3.122) 6.655 7.847 ( 0.313 2.356 4.660) 5.231 8.175 ( -0.242 -5.798 -5.703) 8.136 8.318 ( -0.997 -8.823 3.585) 9.576 8.505 ( 4.381 2.162 1.643) 5.154 8.812 ( -0.210 3.537 1.058) 3.698 9.520 ( 2.190 2.911 -4.955) 6.150 9.790 ( -0.507 -0.851 3.059) 3.216 10.453 ( -3.565 1.874 1.416) 4.270 11.590 ( -5.792 -2.021 -0.282) 6.141 12.191 ( -12.140 -0.718 11.244) 16.563 12.945 ( 0.177 3.068 -4.929) 5.809 13.656 ( 6.061 -3.349 -3.524) 7.770 13.696 ( 4.529 -0.030 -0.923) 4.622 14.188 ( -0.453 0.773 1.535) 1.777 16.375 ( -2.603 -0.229 -2.383) 3.537 16.981 ( -1.890 1.767 -2.973) 3.941 17.725 ( -13.460 7.584 3.355) 15.810 18.262 ( -7.566 6.393 11.001) 14.803 19.778 ( 13.937 -10.410 -6.846) 18.695 22.618 ( 1.458 -0.410 -3.027) 3.384 ======================= Grid point 508 (243/336) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -9.638 -14.481 6.299) 18.500 2.494 ( 3.435 0.352 20.207) 20.500 2.557 ( -12.695 14.386 3.657) 19.532 3.241 ( -17.870 6.906 5.773) 20.008 3.989 ( 11.723 -1.006 4.545) 12.613 4.431 ( 1.029 4.917 -13.596) 14.495 4.848 ( 8.264 -3.174 2.348) 9.159 5.118 ( 1.640 -2.034 2.255) 3.451 5.291 ( 4.038 1.486 5.513) 6.994 6.202 ( 0.723 -9.783 -2.720) 10.180 6.276 ( 5.066 -9.544 -0.920) 10.844 6.377 ( 8.952 -7.117 0.269) 11.439 6.581 ( 13.071 -3.176 0.871) 13.479 6.827 ( -0.388 5.307 -4.696) 7.097 7.125 ( -3.337 4.694 -5.183) 7.748 7.610 ( 3.254 6.305 -2.291) 7.456 7.893 ( 4.023 1.261 5.398) 6.849 8.178 ( -2.072 -6.091 -5.656) 8.566 8.353 ( -8.782 -10.302 1.186) 13.589 8.632 ( 10.502 3.513 4.297) 11.878 8.784 ( 0.382 2.813 3.591) 4.578 9.472 ( 0.612 4.941 -5.098) 7.126 9.833 ( 2.175 -0.936 3.211) 3.989 10.355 ( -7.498 2.354 0.480) 7.873 11.488 ( -8.708 -2.403 -0.970) 9.085 12.026 ( -14.714 3.915 7.528) 16.985 12.897 ( 2.738 2.151 -7.068) 7.879 13.745 ( 0.406 -5.675 0.320) 5.698 13.779 ( 7.659 2.016 -2.609) 8.339 14.211 ( 2.856 -0.195 3.240) 4.324 16.323 ( -0.598 1.974 -2.434) 3.191 16.878 ( -3.515 3.797 -4.544) 6.886 17.449 ( -14.491 8.873 3.652) 17.380 18.095 ( -15.314 5.129 10.526) 19.277 20.107 ( 18.373 -11.960 -5.132) 22.516 22.616 ( 0.879 0.005 -3.956) 4.052 ======================= Grid point 509 (244/336) ======================= q-point: (-0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -8.399 -11.615 12.088) 18.750 2.210 ( -14.065 19.595 6.852) 25.074 2.633 ( -4.579 1.435 13.499) 14.326 2.954 ( -11.771 2.763 10.529) 16.033 4.203 ( 5.907 -0.016 -2.648) 6.474 4.303 ( 4.408 5.157 -5.570) 8.778 5.045 ( 9.245 -3.245 4.546) 10.801 5.209 ( 3.509 -4.657 2.198) 6.231 5.375 ( 4.410 2.382 4.118) 6.487 6.222 ( -6.938 -10.606 -2.508) 12.919 6.393 ( 5.596 -6.260 -0.741) 8.429 6.665 ( 6.892 -2.736 -2.266) 7.753 6.733 ( -1.405 3.110 -2.039) 3.975 6.825 ( 15.678 -2.377 1.009) 15.889 7.073 ( 5.391 -0.377 -3.486) 6.431 7.624 ( 5.489 3.618 -1.301) 6.702 8.025 ( 9.230 -0.156 5.176) 10.583 8.150 ( -4.535 -5.869 -5.031) 8.962 8.257 ( -11.815 -5.670 -1.474) 13.187 8.673 ( 1.163 4.872 -1.775) 5.314 8.927 ( 8.825 -1.038 12.658) 15.466 9.404 ( 0.988 4.854 -4.760) 6.869 9.901 ( 2.997 -0.252 2.160) 3.703 10.158 ( -13.574 2.542 -2.753) 14.082 11.360 ( -8.278 -1.679 -1.334) 8.552 11.725 ( -16.398 10.720 1.150) 19.625 12.927 ( 5.271 -1.793 -4.897) 7.415 13.783 ( -1.423 -3.140 0.741) 3.526 13.839 ( 3.897 1.865 -2.180) 4.839 14.347 ( 8.149 -3.653 5.603) 10.543 16.304 ( 3.228 2.799 -2.344) 4.873 16.788 ( -0.066 3.527 -1.152) 3.711 17.128 ( -16.363 10.021 1.789) 19.271 17.811 ( -20.203 4.002 6.020) 21.457 20.498 ( 17.983 -11.385 -2.212) 21.399 22.602 ( 0.234 -0.064 -3.465) 3.474 ======================= Grid point 510 (245/336) ======================= q-point: (-0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -1.518 -7.935 14.005) 16.168 1.870 ( -10.312 18.344 11.040) 23.764 2.419 ( -17.506 2.210 1.851) 17.742 3.015 ( 1.876 -1.025 17.660) 17.789 4.071 ( -2.924 3.306 -13.967) 14.648 4.503 ( 11.581 -0.630 7.464) 13.792 5.237 ( 7.069 -3.497 3.875) 8.788 5.321 ( 3.719 -3.837 0.798) 5.403 5.423 ( 3.452 4.620 1.166) 5.884 6.177 ( -8.043 -8.910 -1.107) 12.054 6.521 ( -2.247 -1.228 2.039) 3.273 6.648 ( 4.721 3.698 1.798) 6.261 6.696 ( 4.703 2.890 -7.415) 9.244 7.081 ( 4.907 -7.988 -4.315) 10.321 7.256 ( 14.947 -0.275 3.200) 15.288 7.687 ( 4.114 -0.401 -0.105) 4.135 8.048 ( -11.881 -4.072 -3.237) 12.970 8.093 ( -7.808 -1.912 -4.319) 9.125 8.267 ( 14.219 -0.713 5.322) 15.199 8.642 ( 1.549 2.745 -1.942) 3.702 9.118 ( 4.019 0.446 10.003) 10.789 9.394 ( 5.876 1.732 -2.244) 6.524 9.835 ( -17.071 1.509 -6.196) 18.223 9.964 ( 1.208 1.270 1.796) 2.509 11.232 ( -6.828 2.629 -3.602) 8.155 11.402 ( -10.275 6.455 0.676) 12.153 13.005 ( 4.052 -2.419 -3.521) 5.888 13.774 ( -2.007 -0.838 0.893) 2.351 13.855 ( 1.410 0.963 -1.700) 2.409 14.559 ( 7.568 -4.273 5.301) 10.180 16.357 ( 8.099 2.082 -1.574) 8.509 16.776 ( -15.151 4.996 1.030) 15.987 16.835 ( 7.155 4.143 2.229) 8.563 17.476 ( -19.721 2.405 1.458) 19.921 20.818 ( 10.820 -7.125 -0.826) 12.981 22.583 ( -0.794 -0.147 -1.961) 2.121 ======================= Grid point 512 (246/336) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -2.755 -0.000 1.169) 2.992 2.076 ( 14.700 0.000 6.802) 16.197 2.694 ( 21.445 0.000 7.308) 22.656 3.203 ( -1.106 -0.000 -0.412) 1.180 3.897 ( 3.741 0.000 -2.464) 4.480 4.671 ( -7.821 -0.000 -10.593) 13.168 5.225 ( -11.851 -0.000 -2.322) 12.077 5.400 ( 2.052 0.000 -1.361) 2.462 5.510 ( 4.121 0.000 -5.149) 6.595 6.121 ( 0.863 0.000 10.201) 10.238 6.247 ( -6.855 -0.000 6.393) 9.374 6.754 ( -4.132 -0.000 -13.230) 13.861 6.786 ( 2.956 0.000 -4.252) 5.178 6.914 ( -4.852 -0.000 2.669) 5.538 7.093 ( -17.928 -0.000 -3.685) 18.302 7.680 ( -5.111 -0.000 -6.685) 8.415 8.017 ( 3.255 0.000 6.320) 7.109 8.054 ( 9.923 0.000 10.185) 14.220 8.329 ( -9.406 -0.000 -9.852) 13.621 8.551 ( -3.120 -0.000 0.549) 3.168 9.286 ( 3.967 0.000 -1.100) 4.117 9.438 ( -7.247 -0.000 -10.354) 12.638 9.902 ( -4.103 -0.000 2.507) 4.809 9.918 ( 18.350 0.000 6.743) 19.549 11.237 ( 11.512 0.000 4.079) 12.213 11.634 ( 15.931 0.000 -0.540) 15.940 12.846 ( -9.015 -0.000 0.497) 9.029 13.775 ( -3.661 -0.000 -0.379) 3.680 13.794 ( 1.581 0.000 1.785) 2.384 14.517 ( -10.153 -0.000 -0.292) 10.158 16.170 ( -6.036 -0.000 1.061) 6.128 16.792 ( -5.474 -0.000 -2.857) 6.174 17.078 ( 21.025 0.000 0.797) 21.040 17.927 ( 28.860 0.000 -1.822) 28.917 20.581 ( -20.608 -0.000 0.192) 20.609 22.468 ( -3.501 -0.000 2.353) 4.218 ======================= Grid point 513 (247/336) ======================= q-point: ( 0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -3.152 7.054 3.375) 8.431 2.393 ( 15.094 -6.327 3.322) 16.700 3.047 ( 11.654 -1.997 9.922) 15.435 3.173 ( 3.846 -1.254 -11.746) 12.423 3.982 ( 5.164 -2.962 1.087) 6.052 4.430 ( -11.427 0.722 -13.962) 18.057 4.987 ( -14.967 1.086 -1.471) 15.078 5.384 ( 2.021 5.136 -4.511) 7.128 5.550 ( 2.203 -2.924 -6.886) 7.799 6.105 ( -2.846 8.130 8.191) 11.887 6.254 ( -4.822 -5.288 7.896) 10.657 6.576 ( -6.936 8.464 -6.315) 12.634 6.757 ( -8.810 -3.322 -8.716) 12.830 6.821 ( -0.702 2.548 -3.818) 4.644 6.878 ( -4.557 -3.274 1.674) 5.856 7.572 ( -3.066 -1.723 -6.605) 7.483 8.063 ( 0.824 5.174 5.880) 7.876 8.138 ( -4.403 -0.358 -7.129) 8.386 8.282 ( 7.781 0.002 8.412) 11.459 8.535 ( -1.706 -1.887 3.180) 4.073 9.207 ( -11.085 -0.331 -12.774) 16.916 9.356 ( 3.755 -1.371 -2.078) 4.506 9.857 ( -2.642 0.297 2.109) 3.394 10.225 ( 13.372 -1.265 5.473) 14.504 11.460 ( 12.321 1.319 3.883) 12.986 11.946 ( 17.625 -7.360 1.676) 19.173 12.688 ( -10.211 1.736 2.470) 10.648 13.702 ( -4.915 -0.134 -0.646) 4.959 13.826 ( 1.500 1.814 1.832) 2.983 14.332 ( -10.187 0.908 -1.905) 10.403 16.137 ( -1.653 -3.420 2.268) 4.424 16.733 ( -1.994 -2.016 -0.820) 2.952 17.437 ( 22.601 0.004 0.175) 22.602 18.369 ( 25.765 -3.283 -4.004) 26.281 20.168 ( -26.779 5.675 -0.067) 27.374 22.439 ( -2.210 -0.542 3.340) 4.041 ======================= Grid point 514 (248/336) ======================= q-point: ( 0.27 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -5.727 10.906 4.381) 13.074 2.671 ( 10.922 -3.614 0.307) 11.508 3.069 ( -1.313 -1.104 -8.741) 8.908 3.355 ( 8.931 -4.666 3.706) 10.737 4.095 ( -0.388 -1.693 -3.881) 4.252 4.169 ( -6.391 -2.972 -8.381) 10.951 4.737 ( -13.585 0.923 0.583) 13.629 5.331 ( 2.362 6.059 -7.172) 9.681 5.530 ( -0.336 0.864 -6.930) 6.992 6.024 ( -7.055 2.584 5.085) 9.072 6.162 ( -8.482 4.549 -2.246) 9.883 6.340 ( -8.828 3.497 0.397) 9.503 6.667 ( -7.803 -3.428 -1.220) 8.610 6.745 ( 8.011 7.128 -9.839) 14.553 6.964 ( 3.177 -7.186 6.011) 9.893 7.548 ( 0.545 -4.787 -5.258) 7.132 8.020 ( -0.633 4.140 -0.610) 4.233 8.089 ( -0.466 0.638 0.020) 0.790 8.415 ( 1.990 -0.820 5.605) 6.005 8.554 ( 0.853 2.786 4.150) 5.071 8.955 ( -10.079 -1.730 -12.974) 16.520 9.414 ( 2.443 -1.798 -0.489) 3.072 9.835 ( -1.076 0.049 0.770) 1.324 10.424 ( 7.152 -0.805 2.618) 7.658 11.629 ( 9.795 4.766 1.929) 11.063 12.317 ( 13.340 -12.455 4.512) 18.799 12.530 ( -9.793 1.936 4.681) 11.026 13.620 ( -4.307 -0.266 -1.761) 4.661 13.812 ( -0.012 5.889 0.761) 5.938 14.192 ( -5.894 -2.042 -1.065) 6.328 16.197 ( 1.626 -5.034 3.102) 6.133 16.747 ( -0.041 -3.409 2.004) 3.955 17.781 ( 21.415 2.649 -0.751) 21.591 18.736 ( 18.438 -5.950 -9.864) 21.741 19.655 ( -28.334 8.668 4.079) 29.910 22.453 ( 0.213 -1.310 3.579) 3.817 ======================= Grid point 515 (249/336) ======================= q-point: ( 0.36 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -6.602 10.542 3.462) 12.911 2.747 ( -0.224 3.447 -5.949) 6.879 3.053 ( 1.751 -3.826 -3.998) 5.804 3.513 ( 2.334 -2.719 7.982) 8.749 3.881 ( -7.909 1.115 -12.327) 14.689 4.255 ( 2.036 -7.255 0.240) 7.539 4.574 ( -7.430 -1.837 1.774) 7.856 5.244 ( -0.125 6.548 -8.921) 11.067 5.472 ( 0.919 3.060 -5.363) 6.243 5.856 ( -8.745 4.366 1.856) 9.948 6.049 ( -1.998 -1.016 -1.887) 2.930 6.213 ( -6.345 -2.420 -3.559) 7.667 6.528 ( -6.109 4.240 -1.385) 7.564 6.818 ( 10.561 5.186 -3.110) 12.170 7.147 ( 4.417 -8.155 7.218) 11.752 7.596 ( 2.194 -5.417 -3.763) 6.951 7.978 ( 0.167 4.869 1.054) 4.985 8.086 ( 0.490 -1.252 -2.050) 2.451 8.393 ( -9.255 -3.037 -2.340) 10.018 8.540 ( 3.657 9.060 1.905) 9.955 8.825 ( -2.692 -3.812 -3.869) 6.062 9.465 ( 2.586 -0.988 0.067) 2.769 9.823 ( -0.661 0.288 -0.346) 0.799 10.509 ( 2.128 -0.155 0.280) 2.152 11.704 ( 5.349 6.675 0.767) 8.588 12.398 ( -9.781 0.812 7.603) 12.415 12.629 ( 5.890 -13.964 5.069) 15.981 13.564 ( -0.045 0.042 -4.040) 4.040 13.745 ( 0.392 7.483 -0.113) 7.495 14.160 ( -2.330 -3.603 0.714) 4.350 16.298 ( 2.566 -4.114 3.022) 5.714 16.816 ( 1.244 -4.526 4.908) 6.791 18.043 ( 16.598 6.575 -1.747) 17.938 18.831 ( -4.900 -1.203 -21.694) 22.273 19.297 ( -9.874 2.086 15.532) 18.523 22.507 ( 2.200 -1.574 2.602) 3.753 ======================= Grid point 516 (250/336) ======================= q-point: (-0.55 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -3.641 4.634 1.543) 6.092 2.608 ( -5.960 6.031 -1.514) 8.613 3.068 ( -2.862 0.491 1.361) 3.207 3.588 ( -0.986 -0.265 9.044) 9.101 3.742 ( -0.346 -0.246 -8.289) 8.299 4.342 ( 1.565 -6.421 0.055) 6.609 4.552 ( -0.902 -5.499 -0.502) 5.595 5.127 ( -0.483 3.866 -8.109) 8.997 5.423 ( 0.161 3.738 -5.953) 7.031 5.763 ( -1.528 0.073 1.723) 2.304 6.063 ( 2.035 -3.221 -1.217) 4.000 6.143 ( -3.256 -4.877 -2.521) 6.382 6.397 ( -3.573 5.497 -0.312) 6.564 6.917 ( 9.449 5.677 -1.967) 11.197 7.302 ( 0.914 -5.343 5.218) 7.523 7.651 ( 1.248 -3.860 -3.128) 5.123 7.946 ( -0.195 3.204 1.811) 3.685 8.091 ( -0.142 -2.564 -5.204) 5.803 8.231 ( -7.616 -1.107 -3.491) 8.451 8.544 ( 3.677 6.087 2.949) 7.699 8.830 ( -0.083 -2.122 -0.410) 2.163 9.521 ( 4.364 0.497 -0.642) 4.439 9.800 ( -1.538 0.435 -0.145) 1.605 10.516 ( -0.662 0.542 0.040) 0.856 11.694 ( 1.070 6.759 0.515) 6.862 12.282 ( -11.549 -0.765 9.872) 15.213 12.822 ( -0.259 -12.439 3.600) 12.952 13.573 ( 4.812 0.638 -6.031) 7.742 13.708 ( 3.443 6.018 -0.317) 6.941 14.169 ( -1.618 -2.927 1.387) 3.621 16.373 ( 1.349 -1.018 2.578) 3.083 16.919 ( 1.746 -4.497 5.413) 7.250 18.109 ( 0.584 9.565 -4.493) 10.583 18.537 ( -9.368 5.444 -4.533) 11.745 19.378 ( 3.892 -7.831 2.589) 9.120 22.571 ( 2.646 -1.057 0.619) 2.916 ======================= Grid point 517 (251/336) ======================= q-point: (-0.45 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -1.274 -2.487 1.187) 3.037 2.490 ( -3.450 6.295 10.605) 12.806 2.961 ( -7.896 5.065 2.607) 9.736 3.566 ( -7.880 1.405 6.489) 10.305 3.791 ( 9.160 0.765 0.415) 9.201 4.433 ( 3.693 -4.594 -2.470) 6.391 4.621 ( 2.741 -6.735 -1.153) 7.362 5.086 ( 2.494 -0.238 -5.399) 5.952 5.330 ( -2.832 2.847 -5.164) 6.541 5.821 ( 4.821 -5.416 0.625) 7.278 6.096 ( 0.392 -4.729 -5.000) 6.893 6.223 ( 1.721 -6.092 6.451) 9.038 6.326 ( 3.274 3.933 -0.935) 5.202 6.972 ( 5.988 6.142 -4.080) 9.498 7.308 ( -4.871 0.060 0.058) 4.872 7.669 ( -0.137 -2.714 -3.133) 4.147 7.937 ( 0.836 2.993 1.626) 3.507 8.062 ( -2.245 -4.593 -4.490) 6.803 8.178 ( -2.127 -3.702 0.907) 4.365 8.589 ( 6.004 4.994 4.520) 9.023 8.834 ( -0.731 -0.623 -0.955) 1.354 9.578 ( 5.579 3.121 -3.228) 7.161 9.775 ( -1.814 -0.639 2.314) 3.009 10.484 ( -2.732 1.357 0.828) 3.161 11.626 ( -2.352 5.881 0.343) 6.343 12.163 ( -12.603 -1.967 11.561) 17.215 12.906 ( -1.773 -7.390 -0.349) 7.608 13.611 ( 4.094 -0.230 -5.127) 6.566 13.747 ( 7.609 3.944 -1.719) 8.741 14.174 ( -1.721 -2.090 1.671) 3.182 16.393 ( 0.324 2.271 2.494) 3.389 16.987 ( -0.250 -1.395 1.064) 1.772 17.877 ( -11.670 8.267 -1.565) 14.387 18.401 ( -4.812 8.260 5.846) 11.205 19.562 ( 8.755 -12.279 -5.223) 15.960 22.612 ( 1.834 -0.250 -1.528) 2.400 ======================= Grid point 518 (252/336) ======================= q-point: (-0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -1.498 -4.230 5.566) 7.149 2.527 ( 2.274 3.484 17.547) 18.034 2.772 ( -9.549 9.019 4.410) 13.855 3.383 ( -14.605 6.975 5.486) 17.089 3.982 ( 12.113 0.445 5.351) 13.250 4.481 ( 2.860 -0.317 -9.628) 10.049 4.757 ( 6.360 -6.594 1.959) 9.368 5.106 ( 1.560 0.409 -2.156) 2.692 5.278 ( 0.168 -3.309 -0.577) 3.364 5.997 ( 5.297 -9.140 -1.691) 10.699 6.145 ( 2.305 -5.709 2.080) 6.499 6.266 ( 1.795 -4.375 -1.540) 4.974 6.502 ( 12.365 -4.551 2.647) 13.439 6.938 ( 0.552 6.339 -4.129) 7.586 7.194 ( -4.323 2.878 -4.734) 7.027 7.663 ( -0.276 -0.901 -3.015) 3.159 7.941 ( 1.789 1.735 1.604) 2.963 8.061 ( -1.667 -5.967 -4.461) 7.635 8.193 ( -3.320 -4.520 3.477) 6.599 8.709 ( 9.560 3.784 7.585) 12.776 8.806 ( -1.975 0.232 -1.140) 2.292 9.575 ( 2.228 5.677 -4.736) 7.721 9.808 ( 2.042 -1.814 3.672) 4.576 10.398 ( -6.858 2.213 0.182) 7.209 11.516 ( -4.776 5.251 0.258) 7.103 12.058 ( -11.035 -0.157 11.306) 15.799 12.909 ( -0.536 -1.797 -5.232) 5.558 13.654 ( 2.304 -3.187 -2.231) 4.522 13.831 ( 7.911 3.131 -2.873) 8.980 14.183 ( -0.772 -2.590 2.451) 3.648 16.383 ( 1.119 4.594 2.225) 5.226 16.945 ( -2.301 2.901 -2.938) 4.727 17.625 ( -10.565 9.193 2.380) 14.206 18.223 ( -12.901 8.536 7.033) 16.993 19.839 ( 13.496 -16.096 -5.903) 21.819 22.618 ( 0.703 0.170 -2.901) 2.990 ======================= Grid point 519 (253/336) ======================= q-point: (-0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 1.659 -1.783 11.907) 12.153 2.516 ( -7.965 11.849 0.444) 14.284 2.686 ( -0.525 4.479 22.466) 22.914 3.063 ( -17.045 9.091 5.920) 20.204 4.202 ( 10.372 0.287 3.755) 11.034 4.410 ( 1.005 4.763 -11.931) 12.886 4.959 ( 8.215 -5.617 4.531) 10.935 5.133 ( 2.069 -2.964 1.398) 3.876 5.365 ( 3.461 -4.772 2.245) 6.308 6.036 ( -5.702 -7.016 -2.773) 9.456 6.282 ( 5.586 -5.720 0.629) 8.020 6.476 ( 11.741 -12.567 1.403) 17.256 6.750 ( 8.261 -4.211 -2.556) 9.618 6.863 ( 1.650 4.387 2.268) 5.207 7.085 ( -0.337 2.729 -7.284) 7.786 7.656 ( 1.054 -0.752 -2.981) 3.250 7.974 ( -2.337 -6.650 -0.068) 7.049 8.050 ( -1.818 -3.742 -5.041) 6.537 8.195 ( -0.775 0.644 4.797) 4.902 8.753 ( -1.191 2.664 -1.560) 3.309 8.914 ( 9.804 0.279 11.671) 15.245 9.511 ( 0.613 5.985 -4.055) 7.256 9.891 ( 3.644 -1.058 2.161) 4.367 10.209 ( -12.941 2.834 -2.589) 13.499 11.399 ( -3.140 5.611 0.726) 6.470 11.906 ( -11.402 7.835 6.132) 15.132 12.892 ( 1.881 -1.722 -6.524) 7.004 13.710 ( 0.600 -4.184 0.176) 4.230 13.886 ( 4.483 3.035 -2.897) 6.140 14.254 ( 2.767 -5.940 4.050) 7.704 16.384 ( 3.891 5.727 1.556) 7.097 16.872 ( 0.666 4.954 -1.090) 5.116 17.357 ( -11.617 13.159 0.419) 17.558 17.924 ( -18.093 8.141 4.091) 20.258 20.206 ( 13.978 -18.988 -2.663) 23.728 22.602 ( -0.219 0.012 -2.949) 2.957 ======================= Grid point 520 (254/336) ======================= q-point: (-0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 8.221 1.393 14.207) 16.473 2.253 ( -7.692 19.772 5.579) 21.937 2.517 ( -19.173 9.557 5.984) 22.243 2.988 ( 1.124 -1.290 15.697) 15.790 4.175 ( -1.771 6.764 -13.936) 15.592 4.488 ( 10.292 -0.668 5.966) 11.915 5.132 ( 3.473 -6.067 2.063) 7.289 5.259 ( 6.549 -3.929 3.486) 8.395 5.471 ( 3.836 -1.264 2.384) 4.690 5.975 ( -7.933 -9.400 -3.403) 12.763 6.449 ( 5.887 -5.699 3.476) 8.901 6.709 ( -3.679 1.986 2.729) 4.993 6.744 ( 7.389 -4.142 -4.139) 9.428 6.937 ( 3.968 -1.324 -6.768) 7.956 7.179 ( 11.300 -7.470 2.357) 13.749 7.661 ( -0.848 -2.685 -3.611) 4.579 7.938 ( -9.288 -8.013 -2.307) 12.482 8.019 ( -2.995 -3.383 -4.357) 6.277 8.275 ( 8.661 1.578 5.861) 10.576 8.707 ( 0.358 3.410 -0.449) 3.458 9.130 ( 7.502 0.612 11.154) 13.456 9.454 ( 1.901 4.339 -3.734) 6.032 9.894 ( -11.433 4.589 -4.978) 13.287 9.977 ( -1.706 -0.674 1.191) 2.186 11.329 ( 1.532 7.415 0.399) 7.582 11.614 ( -12.415 14.999 -0.203) 19.472 12.931 ( 2.479 -4.867 -4.359) 6.988 13.743 ( -0.820 -2.507 0.945) 2.802 13.888 ( 1.313 2.500 -2.140) 3.543 14.421 ( 4.345 -9.665 4.889) 11.670 16.432 ( 8.101 5.747 1.262) 10.013 16.867 ( -0.447 4.732 2.025) 5.166 17.040 ( -4.595 15.773 -1.739) 16.520 17.567 ( -18.208 7.388 0.259) 19.651 20.568 ( 8.743 -18.808 -0.177) 20.742 22.578 ( -1.048 -0.316 -1.826) 2.129 ======================= Grid point 521 (255/336) ======================= q-point: (-0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 9.107 4.275 10.506) 14.547 2.004 ( -2.768 19.000 9.501) 21.423 2.229 ( -8.175 4.619 3.539) 10.034 3.118 ( 0.901 -2.050 12.794) 12.988 4.004 ( -1.214 6.120 -11.502) 13.085 4.685 ( 7.355 -2.008 4.468) 8.836 5.237 ( 1.938 -7.985 -1.665) 8.384 5.386 ( 2.632 -1.217 2.533) 3.851 5.520 ( 2.990 4.329 -0.341) 5.272 5.953 ( -5.737 -12.566 0.435) 13.820 6.495 ( -5.812 4.793 5.786) 9.499 6.715 ( 3.387 -3.783 -0.210) 5.082 6.797 ( 6.565 3.611 -6.678) 10.036 6.998 ( -1.663 -9.322 -3.734) 10.179 7.435 ( 7.384 -3.943 2.318) 8.686 7.625 ( -5.619 -8.628 -2.580) 10.615 7.862 ( -4.277 -2.779 1.068) 5.211 7.963 ( -3.063 -0.898 -3.589) 4.804 8.450 ( 5.460 -3.585 2.372) 6.949 8.705 ( 3.588 3.984 -1.417) 5.545 9.235 ( 3.161 4.648 4.253) 7.049 9.449 ( -0.252 -2.155 -2.314) 3.172 9.651 ( -3.278 6.675 -1.941) 7.686 9.989 ( -0.736 0.296 1.454) 1.656 11.244 ( -2.064 16.854 -2.992) 17.242 11.371 ( 0.987 4.504 0.786) 4.678 12.978 ( -0.702 -5.188 -2.717) 5.899 13.751 ( -0.683 -1.041 1.134) 1.684 13.864 ( -0.621 1.572 -1.218) 2.084 14.585 ( 0.477 -9.204 3.806) 9.972 16.557 ( 12.652 4.765 1.489) 13.601 16.602 ( -14.623 9.407 -0.743) 17.404 17.125 ( 16.911 7.223 0.538) 18.397 17.235 ( -11.557 5.453 -1.662) 12.886 20.796 ( -0.830 -14.455 0.749) 14.498 22.551 ( -2.068 -0.326 -0.269) 2.111 ======================= Grid point 524 (256/336) ======================= q-point: ( 0.18 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -6.969 -0.000 6.810) 9.744 2.625 ( 14.974 0.000 0.205) 14.976 3.058 ( -2.378 -0.000 -11.169) 11.419 3.308 ( 10.344 0.000 4.041) 11.106 4.063 ( 4.611 0.000 2.989) 5.495 4.157 ( -11.403 -0.000 -14.482) 18.433 4.742 ( -14.940 -0.000 0.116) 14.941 5.407 ( 2.443 0.000 -6.905) 7.325 5.511 ( 0.402 0.000 -9.189) 9.198 6.056 ( -9.591 -0.000 5.925) 11.274 6.202 ( -6.644 -0.000 2.434) 7.076 6.394 ( -17.063 -0.000 -8.749) 19.175 6.634 ( 3.374 0.000 5.538) 6.485 6.841 ( 4.388 0.000 -8.428) 9.501 6.862 ( 1.583 0.000 3.381) 3.733 7.491 ( 0.105 0.000 -6.942) 6.943 8.044 ( -0.311 -0.000 -6.101) 6.109 8.121 ( -2.139 -0.000 5.925) 6.299 8.389 ( -0.309 -0.000 5.535) 5.544 8.598 ( 5.747 0.000 7.032) 9.082 8.930 ( -12.034 -0.000 -14.428) 18.788 9.400 ( 3.436 0.000 -0.752) 3.517 9.835 ( -1.151 -0.000 0.897) 1.460 10.415 ( 7.720 0.000 2.298) 8.054 11.698 ( 12.194 0.000 3.551) 12.701 12.174 ( 12.342 0.000 4.114) 13.009 12.548 ( -10.571 -0.000 4.432) 11.462 13.618 ( -3.977 -0.000 -2.196) 4.543 13.875 ( 1.483 0.000 2.187) 2.642 14.166 ( -8.172 -0.000 -2.323) 8.495 16.149 ( 2.331 0.000 4.369) 4.951 16.714 ( -0.021 -0.000 2.115) 2.116 17.811 ( 24.110 0.000 -2.595) 24.249 18.674 ( 17.668 0.000 -8.177) 19.468 19.738 ( -29.476 -0.000 2.781) 29.607 22.441 ( 0.094 0.000 3.867) 3.868 ======================= Grid point 525 (257/336) ======================= q-point: ( 0.27 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -9.766 6.140 6.439) 13.212 2.816 ( 7.524 3.682 -4.216) 9.378 2.960 ( -0.094 -5.119 -9.972) 11.210 3.464 ( 3.413 -1.690 7.749) 8.634 3.914 ( -7.065 1.549 -12.124) 14.117 4.152 ( 2.205 -3.059 2.561) 4.559 4.536 ( -11.538 -1.555 1.736) 11.771 5.362 ( 0.088 5.941 -9.987) 11.621 5.458 ( -0.736 -3.646 -9.287) 10.004 5.920 ( -10.395 1.951 4.032) 11.319 6.063 ( -6.383 2.332 -0.719) 6.833 6.149 ( -8.728 -3.941 -7.202) 11.983 6.662 ( -0.524 8.463 4.358) 9.534 6.914 ( 12.367 3.589 -6.199) 14.291 6.975 ( 2.757 -8.872 7.206) 11.758 7.498 ( 2.779 -3.677 -5.223) 6.966 8.034 ( 2.213 1.106 -3.807) 4.540 8.081 ( -5.004 0.253 2.532) 5.614 8.382 ( -3.757 1.069 3.204) 5.052 8.662 ( -4.264 2.743 -5.846) 7.738 8.747 ( 1.453 -2.607 0.800) 3.090 9.457 ( 3.708 -0.112 0.511) 3.745 9.826 ( -0.384 0.081 -0.404) 0.563 10.503 ( 2.800 -0.246 -0.381) 2.836 11.857 ( 9.407 7.534 1.776) 12.182 12.377 ( 1.144 -9.656 9.572) 13.645 12.410 ( -8.920 -0.351 3.320) 9.524 13.567 ( 0.565 0.109 -4.307) 4.345 13.876 ( 0.348 5.444 1.341) 5.617 14.081 ( -3.319 -3.954 -0.351) 5.175 16.248 ( 4.776 -1.258 5.985) 7.759 16.751 ( 0.819 -1.961 4.864) 5.308 18.150 ( 22.388 3.817 -5.442) 23.354 18.769 ( -0.229 -3.134 -19.655) 19.904 19.349 ( -19.822 2.066 14.183) 24.461 22.487 ( 2.396 -0.556 3.397) 4.194 ======================= Grid point 526 (258/336) ======================= q-point: (-0.64 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -7.570 7.805 3.356) 11.379 2.724 ( -3.100 6.129 -4.802) 8.380 3.045 ( 2.986 -2.863 -0.185) 4.141 3.531 ( -3.772 -4.426 5.715) 8.153 3.792 ( 2.730 4.461 -4.704) 7.034 4.224 ( 0.747 -5.238 2.009) 5.660 4.442 ( -5.448 -5.692 1.293) 7.985 5.198 ( -4.936 3.555 -10.945) 12.522 5.430 ( 0.158 -1.976 -11.057) 11.233 5.784 ( -4.524 1.755 0.831) 4.923 6.016 ( -0.096 -1.754 0.082) 1.759 6.055 ( -4.019 -4.082 -2.076) 6.093 6.571 ( 0.042 11.912 1.494) 12.005 7.036 ( 11.126 6.064 -2.558) 12.927 7.155 ( 1.705 -9.849 6.631) 11.995 7.562 ( 2.588 -4.879 -3.423) 6.497 7.954 ( -8.342 -1.087 -1.143) 8.490 8.066 ( 2.030 -0.471 -4.958) 5.378 8.286 ( -3.271 5.984 0.097) 6.820 8.591 ( -1.515 -2.744 -0.364) 3.155 8.811 ( 2.836 1.415 2.065) 3.782 9.530 ( 5.025 0.314 1.047) 5.142 9.809 ( -0.970 0.465 -1.208) 1.618 10.521 ( 0.084 0.041 -0.634) 0.641 11.879 ( 4.359 12.342 1.009) 13.128 12.267 ( -13.027 -0.703 9.270) 16.004 12.548 ( -1.224 -15.728 5.007) 16.551 13.584 ( 5.294 0.508 -5.744) 7.828 13.832 ( 1.589 6.594 0.356) 6.792 14.096 ( -1.193 -4.498 1.130) 4.789 16.373 ( 4.854 0.728 6.756) 8.351 16.833 ( 1.318 -4.135 6.498) 7.814 18.298 ( 2.753 10.259 -10.100) 14.657 18.576 ( -2.853 -1.777 -11.841) 12.308 19.262 ( -5.198 -4.155 10.350) 12.304 22.556 ( 3.148 -0.541 1.860) 3.697 ======================= Grid point 527 (259/336) ======================= q-point: (-0.55 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -1.002 5.945 1.258) 6.159 2.621 ( -1.926 7.252 7.047) 10.293 3.040 ( -3.822 3.547 2.470) 5.770 3.525 ( -5.922 -5.662 3.354) 8.853 3.847 ( 9.376 5.322 3.443) 11.318 4.317 ( 2.552 -6.988 1.057) 7.514 4.473 ( 0.043 -8.573 0.366) 8.581 5.059 ( -2.744 -2.492 -10.240) 10.890 5.351 ( -2.065 0.325 -11.301) 11.493 5.765 ( 2.537 -1.159 -0.569) 2.847 6.021 ( 0.982 -3.136 -5.727) 6.602 6.114 ( 1.220 -5.224 8.194) 9.794 6.479 ( 1.669 11.602 1.426) 11.808 7.102 ( 6.244 7.237 -3.372) 10.136 7.257 ( -2.596 -5.737 3.387) 7.150 7.603 ( 0.102 -3.802 -4.511) 5.901 7.859 ( -5.765 -6.265 0.122) 8.514 8.052 ( -0.022 -0.360 -6.515) 6.525 8.213 ( 0.534 6.291 2.629) 6.839 8.627 ( 1.496 -2.210 3.534) 4.428 8.837 ( 1.836 2.077 0.316) 2.790 9.622 ( 6.707 1.260 -0.166) 6.827 9.772 ( -2.359 0.417 -0.370) 2.424 10.504 ( -1.742 0.838 0.468) 1.989 11.798 ( -0.420 12.007 0.724) 12.037 12.126 ( -12.812 -1.680 11.193) 17.096 12.696 ( -0.779 -14.128 2.731) 14.411 13.629 ( 4.904 1.506 -5.902) 7.820 13.827 ( 4.705 4.273 -1.099) 6.450 14.121 ( -1.363 -3.198 1.328) 3.721 16.457 ( 3.408 4.363 6.988) 8.916 16.931 ( 0.800 -4.285 4.676) 6.393 18.021 ( -12.791 6.741 -5.347) 15.415 18.561 ( 2.301 8.458 -1.782) 8.945 19.334 ( 1.762 -11.640 -1.324) 11.846 22.609 ( 2.168 -0.053 -0.168) 2.175 ======================= Grid point 528 (260/336) ======================= q-point: (-0.45 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 5.296 4.912 3.506) 8.029 2.625 ( 1.862 6.780 15.568) 17.082 2.917 ( -7.071 6.950 4.457) 10.871 3.458 ( -9.608 0.250 4.241) 10.506 4.014 ( 11.713 3.129 6.784) 13.893 4.420 ( 2.694 -5.683 -3.942) 7.423 4.606 ( 5.380 -9.122 2.033) 10.784 5.046 ( 1.106 -8.629 -7.670) 11.598 5.241 ( -2.506 1.923 -7.455) 8.097 5.880 ( 8.373 -4.446 -0.935) 9.526 6.053 ( 1.446 -4.218 -1.409) 4.677 6.207 ( -0.794 -2.844 4.377) 5.280 6.472 ( 6.599 3.339 2.177) 7.709 7.053 ( -2.254 5.182 -2.284) 6.095 7.232 ( -1.795 1.255 -3.704) 4.303 7.605 ( -1.062 -4.418 -4.030) 6.074 7.865 ( -3.393 -6.670 0.853) 7.532 8.006 ( -1.261 -1.997 -6.553) 6.966 8.211 ( 2.489 4.907 4.913) 7.377 8.715 ( 2.455 -2.926 5.256) 6.497 8.847 ( 3.246 3.931 1.290) 5.258 9.672 ( 2.443 4.450 -4.911) 7.063 9.767 ( 1.489 -2.442 3.814) 4.767 10.438 ( -5.841 1.987 0.120) 6.171 11.663 ( -3.758 9.564 1.143) 10.339 12.045 ( -7.305 -0.237 12.366) 14.364 12.809 ( 0.363 -8.737 -0.623) 8.767 13.637 ( 2.302 1.135 -4.677) 5.335 13.882 ( 6.403 1.779 -2.925) 7.261 14.128 ( -2.054 -2.713 1.410) 3.683 16.493 ( 2.855 6.930 6.594) 9.983 16.970 ( -0.657 -0.518 0.561) 1.007 17.776 ( -9.313 6.688 2.532) 11.741 18.412 ( -8.459 11.491 1.119) 14.312 19.525 ( 8.133 -17.086 -6.860) 20.128 22.622 ( 0.506 0.315 -1.797) 1.893 ======================= Grid point 529 (261/336) ======================= q-point: (-0.36 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 10.232 6.114 8.562) 14.676 2.679 ( -1.378 7.521 5.523) 9.432 2.793 ( -2.962 6.403 17.394) 18.771 3.248 ( -14.286 8.711 4.222) 17.257 4.218 ( 10.586 1.379 5.604) 12.057 4.440 ( 0.898 -1.681 -9.395) 9.587 4.832 ( 9.780 -8.093 4.176) 13.364 5.117 ( 2.032 -1.570 -3.758) 4.552 5.192 ( -1.117 -9.337 -1.003) 9.457 5.993 ( -0.028 0.999 -0.455) 1.098 6.168 ( 5.236 -7.310 2.652) 9.374 6.269 ( 6.691 -7.738 -1.726) 10.375 6.626 ( 6.702 -6.488 2.002) 9.540 6.948 ( -3.378 3.860 1.372) 5.310 7.155 ( 0.148 4.083 -8.224) 9.183 7.599 ( -2.106 -4.931 -3.849) 6.600 7.846 ( -5.804 -5.487 -1.299) 8.092 7.989 ( -0.038 -3.315 -5.080) 6.066 8.248 ( 3.246 3.806 5.204) 7.219 8.767 ( -0.760 -0.391 1.786) 1.980 8.944 ( 8.797 2.376 8.925) 12.755 9.610 ( -0.686 4.274 -3.618) 5.641 9.856 ( 3.427 -2.523 1.487) 4.508 10.265 ( -11.769 3.123 -2.473) 12.425 11.541 ( -1.538 8.527 2.116) 8.919 12.018 ( -3.807 4.801 10.959) 12.556 12.854 ( 0.622 -2.929 -4.928) 5.767 13.646 ( 1.136 -2.062 -1.816) 2.974 13.939 ( 4.722 1.934 -3.781) 6.351 14.141 ( -1.576 -5.412 2.297) 6.087 16.513 ( 4.381 7.959 5.392) 10.565 16.955 ( 1.134 3.470 0.769) 3.731 17.582 ( -8.460 10.235 2.712) 13.553 18.116 ( -13.789 12.315 -0.630) 18.498 19.817 ( 9.320 -21.899 -4.735) 24.267 22.603 ( -0.795 0.176 -2.320) 2.458 ======================= Grid point 530 (262/336) ======================= q-point: (-0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 13.841 6.828 11.037) 18.974 2.520 ( -6.318 10.399 2.272) 12.378 2.791 ( -11.433 15.205 13.802) 23.503 3.000 ( -2.755 4.294 8.997) 10.343 4.283 ( 0.564 3.995 -11.866) 12.533 4.479 ( 7.779 -0.695 3.721) 8.651 5.056 ( 4.572 -1.715 2.935) 5.697 5.161 ( 5.867 -5.825 2.607) 8.669 5.319 ( 0.681 -13.985 0.448) 14.009 5.915 ( -5.022 2.641 -0.695) 5.717 6.322 ( 5.541 -7.776 0.028) 9.549 6.535 ( 10.093 -13.079 0.543) 16.530 6.715 ( -4.451 -3.274 0.798) 5.583 6.975 ( 5.544 -0.477 1.629) 5.798 7.080 ( 2.409 0.980 -6.443) 6.948 7.584 ( -2.714 -5.292 -4.887) 7.698 7.786 ( -7.133 -7.049 -1.630) 10.160 7.983 ( -0.244 -1.225 -3.888) 4.083 8.308 ( 3.882 1.553 4.028) 5.806 8.766 ( 1.499 3.149 2.590) 4.344 9.139 ( 8.347 0.383 10.596) 13.495 9.539 ( -0.307 4.299 -3.703) 5.682 9.926 ( 0.648 -3.631 0.263) 3.698 9.996 ( -12.634 4.983 -4.610) 14.342 11.485 ( 2.610 8.495 2.126) 9.138 11.911 ( -4.833 15.485 5.142) 17.017 12.850 ( 0.348 -3.204 -5.832) 6.663 13.685 ( 0.366 -3.423 0.673) 3.508 13.941 ( 1.223 2.839 -3.034) 4.332 14.226 ( 0.687 -10.418 3.358) 10.967 16.564 ( 7.780 7.998 4.493) 12.029 16.959 ( 0.677 4.878 3.635) 6.121 17.345 ( -3.972 15.323 -1.441) 15.895 17.756 ( -14.225 12.832 -3.880) 19.547 20.149 ( 5.669 -25.058 -0.694) 25.701 22.573 ( -1.466 -0.259 -1.623) 2.202 ======================= Grid point 531 (263/336) ======================= q-point: (-0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 9.178 4.553 7.244) 12.548 2.357 ( -5.131 8.883 4.602) 11.244 2.449 ( -5.347 25.532 8.653) 27.484 3.083 ( 1.846 -1.014 10.625) 10.832 4.141 ( -0.623 7.440 -12.105) 14.223 4.642 ( 6.274 -2.455 3.356) 7.527 5.113 ( 1.230 -4.379 -0.460) 4.572 5.333 ( 2.219 -4.658 3.334) 6.143 5.469 ( 2.307 -12.120 0.571) 12.351 5.816 ( -3.464 1.063 -0.220) 3.630 6.482 ( 3.149 -7.879 1.514) 8.619 6.642 ( -5.958 -1.416 1.777) 6.376 6.773 ( 3.774 -11.174 0.416) 11.802 6.926 ( 0.398 5.633 -9.262) 10.847 7.263 ( 7.265 -11.426 4.139) 14.159 7.529 ( -5.520 -2.737 -6.050) 8.635 7.759 ( -2.977 -7.527 -0.131) 8.095 7.956 ( -1.226 0.105 -2.453) 2.745 8.386 ( 2.328 -2.777 2.033) 4.155 8.793 ( 3.868 5.236 1.856) 6.769 9.294 ( 4.586 1.001 7.159) 8.561 9.466 ( -1.077 3.867 -4.600) 6.105 9.770 ( -4.343 5.474 -1.484) 7.143 9.961 ( -0.721 -3.148 -0.162) 3.234 11.480 ( 3.398 7.067 0.946) 7.898 11.657 ( -1.870 24.885 -0.252) 24.957 12.862 ( -1.437 -6.350 -3.327) 7.311 13.718 ( -0.346 -2.414 1.190) 2.714 13.903 ( -0.863 2.454 -1.665) 3.089 14.372 ( 0.174 -12.720 3.525) 13.201 16.668 ( 9.931 6.717 2.949) 12.347 16.799 ( -12.135 10.466 2.833) 16.273 17.324 ( 19.258 12.768 -2.040) 23.196 17.388 ( -13.176 11.607 -5.136) 18.295 20.423 ( -1.714 -24.447 1.642) 24.562 22.543 ( -1.949 -0.430 -0.268) 2.014 ======================= Grid point 532 (264/336) ======================= q-point: (-0.09 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -7.834 1.187 -0.093) 7.924 2.232 ( 3.182 16.330 7.653) 18.313 2.472 ( 18.599 12.968 9.527) 24.594 3.166 ( 0.660 -1.373 5.795) 5.992 4.010 ( 1.182 7.634 -7.629) 10.857 4.727 ( -0.138 -3.182 -3.027) 4.394 5.193 ( 2.958 -6.659 -1.595) 7.459 5.338 ( -7.310 -4.292 0.013) 8.477 5.575 ( 1.902 -2.258 -1.526) 3.323 5.827 ( 1.023 -5.514 4.113) 6.954 6.481 ( -6.309 3.986 5.828) 9.469 6.670 ( 0.275 -10.954 -3.640) 11.546 6.801 ( -6.437 -4.755 -3.269) 8.644 6.884 ( 2.349 0.583 -4.885) 5.452 7.373 ( -11.070 -1.912 -6.502) 12.980 7.511 ( 6.224 -10.700 4.617) 13.212 7.840 ( 3.845 -5.255 2.926) 7.139 7.920 ( -1.365 -0.116 -0.404) 1.429 8.433 ( -1.642 -3.552 -1.220) 4.099 8.737 ( -4.054 6.035 -3.618) 8.121 9.362 ( 3.430 7.018 0.595) 7.834 9.435 ( 2.752 -3.057 -1.150) 4.271 9.731 ( 4.606 5.121 1.750) 7.107 9.970 ( -1.037 -1.387 1.300) 2.166 11.344 ( -2.077 14.325 -0.964) 14.507 11.598 ( 13.941 14.167 0.715) 19.888 12.861 ( -5.031 -6.580 -1.282) 8.382 13.740 ( -0.141 -1.905 1.263) 2.290 13.851 ( -2.253 1.829 -0.562) 2.956 14.477 ( -3.692 -10.569 2.228) 11.415 16.475 ( -11.481 10.006 -1.149) 15.273 16.852 ( 14.360 6.223 4.371) 16.249 17.066 ( -9.663 9.318 -5.154) 14.379 17.606 ( 27.409 8.558 -1.553) 28.756 20.544 ( -10.935 -19.825 1.886) 22.720 22.512 ( -2.663 -0.058 1.100) 2.882 ======================= Grid point 536 (265/336) ======================= q-point: ( 0.27 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -9.391 -0.000 4.366) 10.357 2.802 ( -3.898 -0.000 -6.151) 7.282 2.996 ( 8.791 0.000 -1.493) 8.917 3.482 ( -5.730 -0.000 4.803) 7.477 3.846 ( 4.568 0.000 -3.559) 5.790 4.172 ( 0.165 0.000 2.870) 2.875 4.378 ( -8.007 -0.000 2.081) 8.273 5.239 ( -9.305 -0.000 -11.839) 15.058 5.399 ( 2.905 0.000 -12.195) 12.536 5.805 ( -5.800 -0.000 0.248) 5.806 6.002 ( -3.888 -0.000 6.126) 7.255 6.009 ( -0.759 -0.000 -7.386) 7.425 6.741 ( 1.670 0.000 -0.604) 1.776 7.006 ( 1.536 0.000 8.814) 8.946 7.106 ( 11.898 0.000 -3.250) 12.334 7.507 ( 2.880 0.000 -2.599) 3.879 7.941 ( -10.590 -0.000 -2.234) 10.823 8.062 ( 2.451 0.000 -4.597) 5.210 8.380 ( -1.823 -0.000 4.302) 4.672 8.519 ( -2.939 -0.000 -5.544) 6.275 8.838 ( 3.110 0.000 4.142) 5.179 9.532 ( 4.951 0.000 1.467) 5.164 9.814 ( -0.564 -0.000 -1.649) 1.743 10.520 ( 0.440 0.000 -0.871) 0.976 12.067 ( 9.782 0.000 0.372) 9.789 12.258 ( -13.514 -0.000 6.850) 15.151 12.330 ( -5.773 -0.000 8.509) 10.282 13.589 ( 5.541 0.000 -5.711) 7.958 13.917 ( -0.617 -0.000 1.476) 1.600 14.032 ( 0.333 0.000 0.261) 0.423 16.383 ( 6.592 0.000 8.665) 10.887 16.789 ( 0.692 0.000 6.424) 6.461 18.470 ( -16.586 -0.000 -16.824) 23.625 18.482 ( 21.466 0.000 -10.377) 23.842 19.225 ( -10.319 -0.000 13.844) 17.266 22.551 ( 3.335 0.000 2.325) 4.065 ======================= Grid point 537 (266/336) ======================= q-point: (-0.64 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -2.069 3.798 1.497) 4.577 2.737 ( -1.074 4.140 5.865) 7.259 3.096 ( 3.501 2.196 0.557) 4.170 3.399 ( -7.933 -5.642 2.287) 10.000 3.963 ( 10.544 5.417 4.586) 12.711 4.211 ( 1.068 -3.512 3.040) 4.766 4.324 ( -3.013 -6.005 1.460) 6.876 5.015 ( -8.582 -1.551 -12.681) 15.390 5.359 ( 1.585 0.341 -12.612) 12.716 5.756 ( 0.897 -0.109 -2.928) 3.064 5.981 ( 1.087 -1.050 -5.853) 6.045 6.041 ( 0.777 -2.235 9.711) 9.995 6.709 ( 2.185 10.619 -0.710) 10.865 7.098 ( -3.244 -8.083 6.003) 10.578 7.231 ( 8.695 4.271 -3.368) 10.256 7.536 ( -0.019 -2.798 -2.047) 3.467 7.778 ( -6.881 -2.137 -2.486) 7.622 8.043 ( -1.335 -0.283 -5.423) 5.592 8.344 ( 0.183 6.468 2.146) 6.817 8.536 ( 1.349 -5.714 1.186) 5.989 8.885 ( 1.752 1.847 2.977) 3.917 9.629 ( 5.519 -0.106 2.053) 5.890 9.784 ( -1.267 0.543 -2.841) 3.158 10.515 ( -0.961 0.288 0.373) 1.071 12.027 ( -9.818 7.785 2.405) 12.758 12.137 ( -2.373 6.757 8.395) 11.035 12.407 ( -0.126 -15.969 4.932) 16.713 13.652 ( 6.289 0.754 -5.989) 8.717 13.891 ( -0.833 2.065 0.299) 2.246 14.070 ( 1.656 -1.814 0.359) 2.483 16.538 ( 6.364 3.249 10.493) 12.695 16.849 ( 0.206 -3.348 5.790) 6.692 18.113 ( -15.210 2.690 -7.080) 16.991 18.698 ( 14.483 5.120 -12.173) 19.600 19.153 ( -8.670 -6.411 6.594) 12.639 22.609 ( 2.359 0.011 0.629) 2.442 ======================= Grid point 538 (267/336) ======================= q-point: (-0.55 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 7.666 5.872 1.636) 9.794 2.760 ( 2.102 6.790 14.959) 16.561 3.047 ( -4.336 7.362 3.582) 9.265 3.385 ( -5.461 -7.595 2.865) 9.783 4.106 ( 9.707 6.698 7.752) 14.113 4.300 ( 2.582 -5.992 -0.664) 6.558 4.432 ( 5.260 -9.376 4.266) 11.566 4.874 ( -4.267 -7.577 -12.094) 14.896 5.300 ( 1.686 3.044 -9.801) 10.401 5.810 ( 6.756 -2.901 -3.389) 8.096 5.985 ( 1.106 -2.880 -5.067) 5.932 6.152 ( 1.821 -2.496 9.424) 9.917 6.628 ( 1.108 11.496 1.173) 11.608 7.071 ( -8.869 -4.344 1.501) 9.988 7.277 ( 4.424 4.332 -4.448) 7.624 7.522 ( -2.394 -4.146 -4.836) 6.805 7.762 ( 0.228 -3.958 1.341) 4.185 7.968 ( -4.002 -1.656 -6.398) 7.726 8.315 ( 1.275 5.291 2.502) 5.990 8.644 ( 3.685 -4.045 4.602) 7.150 8.914 ( 2.577 2.748 3.607) 5.215 9.722 ( -1.260 -1.820 3.327) 3.996 9.737 ( 4.094 2.174 -5.190) 6.958 10.469 ( -4.913 1.270 0.289) 5.083 11.815 ( -10.048 4.807 3.358) 11.634 12.102 ( -0.095 7.725 10.744) 13.233 12.601 ( 3.693 -12.891 1.984) 13.556 13.679 ( 2.991 2.808 -5.347) 6.740 13.880 ( 0.471 -1.843 -1.550) 2.453 14.101 ( 0.890 -0.157 -0.428) 1.000 16.634 ( 4.380 7.810 10.012) 13.432 16.923 ( 0.525 -4.319 4.005) 5.913 17.871 ( -9.860 3.421 2.469) 10.725 18.646 ( -2.535 13.346 -5.236) 14.559 19.212 ( 2.375 -16.128 -6.300) 17.476 22.628 ( 0.350 0.258 -0.990) 1.081 ======================= Grid point 539 (268/336) ======================= q-point: (-0.45 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 13.861 7.510 4.632) 16.431 2.832 ( 2.418 8.715 12.586) 15.498 2.914 ( -6.123 6.404 9.634) 13.089 3.339 ( -7.820 0.536 3.785) 8.705 4.248 ( 7.544 1.673 5.715) 9.611 4.372 ( 1.574 -4.650 -4.165) 6.438 4.678 ( 11.492 -7.360 3.286) 14.037 4.890 ( 0.135 -13.833 -4.892) 14.673 5.237 ( 1.283 5.768 -5.252) 7.905 5.979 ( 9.820 -3.867 -6.331) 12.307 6.014 ( 1.425 -7.262 1.149) 7.489 6.221 ( 0.273 0.842 3.876) 3.976 6.579 ( 0.401 2.677 3.884) 4.734 6.977 ( -6.040 -1.443 1.868) 6.485 7.233 ( 0.180 4.292 -7.275) 8.449 7.496 ( -2.574 -5.396 -5.107) 7.863 7.783 ( -3.505 -1.421 -1.577) 4.098 7.919 ( 0.379 -4.166 -4.441) 6.101 8.313 ( 1.180 2.804 2.609) 4.008 8.763 ( 3.977 0.268 6.209) 7.378 8.983 ( 5.478 1.559 6.867) 8.922 9.663 ( -2.312 1.332 -2.684) 3.785 9.809 ( 2.946 -1.984 -0.725) 3.625 10.319 ( -10.888 2.401 -2.153) 11.356 11.677 ( -3.903 5.106 3.593) 7.363 12.124 ( 2.540 7.314 12.282) 14.519 12.764 ( 3.883 -6.793 -0.971) 7.885 13.644 ( -0.172 1.825 -3.659) 4.092 13.915 ( 1.244 -4.721 -2.871) 5.664 14.095 ( -0.699 0.631 -0.878) 1.288 16.671 ( 4.117 8.567 7.304) 11.987 16.991 ( 2.072 0.137 5.108) 5.514 17.729 ( -7.186 5.546 5.740) 10.740 18.376 ( -9.083 15.172 -4.924) 18.356 19.409 ( 5.163 -21.243 -8.206) 23.351 22.608 ( -1.314 0.243 -1.788) 2.232 ======================= Grid point 540 (269/336) ======================= q-point: (-0.36 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 14.753 7.718 6.883) 18.016 2.705 ( -7.250 9.421 3.659) 12.438 2.958 ( 1.018 5.697 17.083) 18.037 3.174 ( -7.510 10.172 3.206) 13.044 4.313 ( 1.167 -0.635 -9.720) 9.811 4.449 ( 5.473 -2.459 4.379) 7.428 4.950 ( 9.382 -12.354 -1.218) 15.560 5.043 ( 3.642 -9.949 4.137) 11.374 5.169 ( -0.566 5.638 -0.559) 5.694 5.989 ( -1.929 1.764 -1.113) 2.841 6.185 ( 2.662 -4.409 -0.923) 5.232 6.307 ( 9.138 -10.895 -1.670) 14.318 6.617 ( -2.183 -4.683 4.975) 7.173 6.962 ( 1.287 -0.633 4.414) 4.641 7.138 ( -1.338 2.829 -8.397) 8.961 7.483 ( -0.862 -4.896 -5.244) 7.226 7.690 ( -7.435 -3.283 -3.177) 8.726 7.956 ( 1.814 -1.870 -3.111) 4.058 8.328 ( 0.857 0.672 1.978) 2.258 8.837 ( 4.190 4.550 6.136) 8.712 9.141 ( 7.441 -0.311 9.734) 12.256 9.602 ( -0.978 2.252 -3.173) 4.012 9.846 ( -1.426 -4.291 -1.811) 4.871 10.080 ( -11.287 3.518 -4.334) 12.592 11.626 ( 1.153 6.177 2.812) 6.884 12.164 ( 3.087 11.385 11.332) 16.357 12.815 ( 0.401 -0.894 -5.439) 5.526 13.628 ( -0.020 -2.184 -0.431) 2.226 13.958 ( 0.838 -3.600 -3.522) 5.106 14.076 ( -1.726 -3.072 0.665) 3.586 16.716 ( 6.515 7.782 5.435) 11.513 17.044 ( 1.183 4.170 7.925) 9.033 17.583 ( -3.949 9.940 2.234) 10.926 18.039 ( -8.867 16.889 -8.456) 20.866 19.662 ( 2.608 -26.235 -3.497) 26.595 22.569 ( -1.917 -0.100 -1.435) 2.397 ======================= Grid point 541 (270/336) ======================= q-point: (-0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 5.396 4.994 4.733) 8.744 2.545 ( -2.390 10.498 4.896) 11.828 2.874 ( -5.425 18.086 9.951) 21.343 3.107 ( 3.770 4.511 6.405) 8.694 4.243 ( 0.659 2.896 -12.008) 12.370 4.587 ( 3.981 -3.778 3.368) 6.439 5.103 ( 0.266 3.161 -0.455) 3.205 5.147 ( -3.466 -17.066 0.827) 17.435 5.246 ( 8.299 -5.933 2.416) 10.484 5.910 ( -1.638 6.546 1.603) 6.935 6.277 ( 2.178 -11.770 -4.869) 12.922 6.517 ( -2.185 -12.933 1.243) 13.175 6.646 ( 1.450 -1.763 3.326) 4.034 7.005 ( -0.766 1.673 -4.120) 4.512 7.113 ( 5.056 -3.437 1.048) 6.203 7.490 ( -0.318 -1.483 -4.993) 5.219 7.607 ( -4.594 -7.960 -1.829) 9.371 7.958 ( -0.599 -0.170 -2.356) 2.437 8.348 ( -0.034 -1.350 1.495) 2.015 8.899 ( 4.754 6.079 4.469) 8.918 9.297 ( 4.402 -0.091 6.904) 8.188 9.547 ( 0.122 3.835 -3.649) 5.295 9.812 ( -4.971 -2.614 0.392) 5.630 9.918 ( -2.100 0.565 -4.012) 4.563 11.615 ( 2.985 6.891 0.950) 7.570 12.105 ( 1.759 21.279 6.070) 22.198 12.768 ( -2.919 -3.045 -5.177) 6.678 13.663 ( 0.070 -3.288 1.129) 3.477 13.944 ( -1.183 1.126 -2.493) 2.980 14.140 ( -0.162 -10.923 2.197) 11.143 16.787 ( 4.858 5.439 2.147) 7.602 16.989 ( -5.536 10.134 10.274) 15.456 17.534 ( 8.341 10.003 -0.207) 13.026 17.690 ( -3.230 18.772 -11.917) 22.468 19.918 ( -2.804 -28.724 1.100) 28.882 22.536 ( -1.816 -0.326 -0.269) 1.864 ======================= Grid point 542 (271/336) ======================= q-point: (-0.18 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -10.441 2.453 -0.517) 10.737 2.501 ( 3.943 12.971 5.270) 14.545 2.781 ( 9.634 16.945 10.694) 22.233 3.170 ( 3.945 2.617 2.958) 5.582 4.152 ( 1.774 6.558 -8.622) 10.977 4.660 ( -0.675 -4.069 -2.004) 4.585 5.108 ( 1.484 -1.804 -0.161) 2.342 5.183 ( -9.310 -12.579 0.291) 15.652 5.421 ( 3.676 -9.191 -1.935) 10.086 5.871 ( 2.753 6.522 3.923) 8.093 6.392 ( -0.228 -13.288 -5.601) 14.422 6.500 ( -8.606 -8.714 1.390) 12.326 6.690 ( -4.205 -1.757 3.338) 5.648 6.957 ( 2.791 3.707 -6.108) 7.671 7.249 ( 1.048 -7.464 -2.545) 7.955 7.427 ( -1.362 -0.960 0.099) 1.669 7.705 ( 4.511 -8.542 1.533) 9.781 7.922 ( -2.196 0.024 -1.271) 2.538 8.372 ( -0.409 -2.711 0.687) 2.827 8.859 ( -3.586 7.011 -2.359) 8.221 9.384 ( 2.886 -1.137 2.027) 3.706 9.501 ( 2.018 5.903 -2.469) 6.709 9.807 ( 1.793 1.660 3.713) 4.445 9.914 ( 1.600 -3.065 -0.463) 3.488 11.568 ( 0.059 9.898 -1.548) 10.018 11.970 ( 8.026 23.021 2.284) 24.487 12.732 ( -5.094 -6.563 -1.421) 8.429 13.694 ( -0.638 -2.944 0.956) 3.161 13.888 ( -2.636 1.805 -0.813) 3.296 14.260 ( -0.858 -11.791 1.988) 11.988 16.654 ( -10.141 8.337 -1.111) 13.175 17.001 ( 9.471 9.533 9.204) 16.288 17.296 ( -8.598 14.779 -8.105) 18.922 17.790 ( 26.163 10.567 -3.662) 28.453 20.095 ( -10.077 -27.310 2.875) 29.252 22.511 ( -1.838 0.040 1.059) 2.122 ======================= Grid point 543 (272/336) ======================= q-point: (-0.09 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -9.213 -1.902 -2.103) 9.640 2.485 ( 6.391 12.165 4.609) 14.494 2.936 ( 13.402 9.448 10.915) 19.698 3.214 ( 5.282 3.387 -3.637) 7.253 4.088 ( 3.591 7.776 -3.797) 9.369 4.604 ( -6.200 -2.505 -8.785) 11.040 5.087 ( -12.600 -9.017 -0.639) 15.507 5.187 ( 2.158 -5.562 -1.409) 6.130 5.514 ( -0.178 -8.860 -3.667) 9.590 5.916 ( 4.826 4.067 5.933) 8.662 6.367 ( -8.778 -7.445 -3.550) 12.045 6.526 ( -1.967 -8.708 -2.810) 9.359 6.610 ( -8.887 -5.142 2.742) 10.627 6.937 ( 3.107 5.067 -2.885) 6.607 7.151 ( -8.399 0.354 -8.996) 12.313 7.547 ( 3.969 -5.674 4.116) 8.056 7.889 ( -0.139 -5.004 2.386) 5.546 7.900 ( 6.283 -4.977 2.683) 8.452 8.361 ( -2.728 0.430 -3.439) 4.411 8.698 ( -4.867 5.841 -0.814) 7.646 9.361 ( -5.183 -1.886 -8.879) 10.452 9.475 ( 2.148 6.608 -0.530) 6.968 9.849 ( 0.058 0.078 4.140) 4.141 10.037 ( 10.805 0.638 4.843) 11.858 11.452 ( 1.721 10.692 -1.469) 10.929 12.003 ( 15.982 16.126 1.897) 22.783 12.695 ( -7.368 -6.535 1.067) 9.907 13.715 ( -0.924 -3.292 0.916) 3.540 13.816 ( -3.989 1.441 -0.105) 4.242 14.329 ( -3.804 -8.279 0.685) 9.137 16.418 ( -6.585 10.280 -0.772) 12.232 16.971 ( -5.932 9.195 -5.575) 12.281 17.202 ( 13.393 7.174 6.120) 16.380 18.129 ( 29.009 8.658 -4.179) 30.561 20.121 ( -17.970 -22.444 2.279) 28.842 22.486 ( -2.068 0.894 2.187) 3.140 ======================= Grid point 548 (273/336) ======================= q-point: (-0.64 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 7.847 0.000 0.974) 7.907 2.833 ( 1.880 0.000 15.520) 15.633 3.191 ( 3.894 0.000 1.848) 4.310 3.228 ( -10.265 -0.000 2.917) 10.671 4.236 ( 2.367 0.000 2.053) 3.134 4.252 ( 15.348 0.000 9.289) 17.940 4.263 ( -1.275 -0.000 2.738) 3.020 4.800 ( -6.051 -0.000 -13.733) 15.007 5.331 ( 3.285 0.000 -10.428) 10.933 5.781 ( 5.504 0.000 -4.729) 7.256 5.956 ( 0.589 0.000 -6.130) 6.158 6.127 ( 2.769 0.000 11.097) 11.437 6.796 ( 2.716 0.000 -2.545) 3.722 6.969 ( -11.612 -0.000 5.625) 12.903 7.341 ( 5.921 0.000 -5.610) 8.156 7.468 ( -4.775 -0.000 -3.169) 5.731 7.724 ( 2.135 0.000 0.686) 2.242 7.952 ( -5.150 -0.000 -6.119) 7.998 8.375 ( -1.262 -0.000 0.395) 1.322 8.595 ( 6.565 0.000 6.153) 8.997 8.941 ( 1.800 0.000 4.011) 4.397 9.703 ( -0.480 -0.000 3.620) 3.652 9.758 ( 2.803 0.000 -5.906) 6.537 10.482 ( -4.573 -0.000 0.392) 4.589 11.849 ( -12.944 -0.000 5.612) 14.108 12.271 ( -3.574 -0.000 12.048) 12.567 12.393 ( 11.510 0.000 -0.739) 11.534 13.715 ( 5.168 0.000 -5.943) 7.875 13.850 ( -4.285 -0.000 -0.208) 4.290 14.104 ( 2.708 0.000 -1.279) 2.995 16.743 ( 6.936 0.000 13.951) 15.580 16.847 ( -0.984 -0.000 2.784) 2.953 17.903 ( -10.312 -0.000 2.277) 10.560 18.872 ( 13.453 0.000 -19.699) 23.854 18.960 ( -13.430 -0.000 6.024) 14.720 22.631 ( 0.290 0.000 -0.697) 0.755 ======================= Grid point 550 (274/336) ======================= q-point: (-0.55 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 14.487 3.266 2.344) 15.035 2.962 ( 2.958 3.661 18.259) 18.856 3.040 ( -8.834 6.637 3.331) 11.541 3.285 ( -0.728 -4.706 4.014) 6.228 4.262 ( 1.415 -0.771 -0.902) 1.847 4.309 ( 3.113 -0.888 4.059) 5.191 4.590 ( 15.160 -1.797 7.867) 17.174 4.688 ( -0.709 -6.653 -9.166) 11.348 5.328 ( 3.940 2.990 -6.652) 8.289 5.890 ( 9.060 -3.313 -2.615) 9.995 5.929 ( 0.300 -2.428 -8.185) 8.542 6.234 ( 2.036 0.245 8.644) 8.884 6.711 ( -6.090 9.608 3.508) 11.904 6.888 ( -5.317 -7.638 1.547) 9.434 7.314 ( -3.823 3.992 -5.407) 7.732 7.408 ( 0.402 -3.903 -6.143) 7.289 7.786 ( -0.506 1.638 -2.103) 2.713 7.841 ( -0.855 -3.826 -3.969) 5.579 8.348 ( -1.019 0.930 0.354) 1.424 8.774 ( 8.499 0.539 10.068) 13.186 9.001 ( 2.864 0.409 5.384) 6.112 9.666 ( -3.227 -0.438 -0.944) 3.391 9.791 ( 2.673 -0.206 -3.524) 4.428 10.350 ( -10.798 0.844 -1.938) 11.003 11.730 ( -5.167 1.069 5.089) 7.331 12.279 ( 1.804 7.471 12.612) 14.769 12.621 ( 9.966 -6.933 0.325) 12.145 13.706 ( -0.827 4.541 -3.951) 6.076 13.808 ( -1.852 -5.879 -2.628) 6.701 14.117 ( 0.756 0.913 -2.516) 2.781 16.816 ( 2.095 6.084 4.448) 7.822 16.961 ( 4.650 -2.809 12.341) 13.484 17.795 ( -6.601 1.659 6.858) 9.662 18.673 ( -7.121 15.980 -3.952) 17.936 19.036 ( 3.281 -18.053 -13.695) 22.896 22.611 ( -1.619 0.114 -1.493) 2.205 ======================= Grid point 551 (275/336) ======================= q-point: (-0.45 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 13.873 5.075 4.008) 15.306 2.855 ( -8.841 6.028 3.336) 11.208 3.072 ( 3.185 6.149 15.680) 17.141 3.293 ( -2.801 2.587 4.844) 6.165 4.278 ( 1.057 -2.377 -7.491) 7.929 4.397 ( 2.748 -2.722 4.310) 5.792 4.697 ( 1.942 -11.294 -6.444) 13.147 4.942 ( 13.678 -2.229 9.822) 16.986 5.303 ( 1.961 6.887 -2.774) 7.679 5.918 ( -0.416 -5.647 -6.116) 8.334 6.094 ( 10.106 -8.099 -2.009) 13.106 6.249 ( -2.083 4.083 1.256) 4.752 6.591 ( -4.268 1.965 7.256) 8.644 6.920 ( 0.743 -3.959 3.722) 5.485 7.168 ( -6.055 0.588 -5.981) 8.531 7.420 ( 2.319 -1.714 -6.658) 7.256 7.656 ( -7.584 -0.615 -4.985) 9.097 7.916 ( 3.663 -2.115 -1.966) 4.664 8.336 ( -0.442 0.206 0.753) 0.897 8.933 ( 6.692 5.430 9.262) 12.651 9.120 ( 6.136 -2.075 8.781) 10.912 9.619 ( -1.506 -0.270 -2.250) 2.721 9.786 ( -1.608 -1.780 -4.482) 5.083 10.125 ( -12.064 1.395 -4.177) 12.843 11.708 ( 0.672 2.690 3.441) 4.419 12.342 ( 4.242 7.509 13.347) 15.891 12.794 ( 5.523 -1.681 -1.901) 6.078 13.617 ( -2.934 1.101 -1.657) 3.545 13.834 ( -0.633 -6.917 -3.426) 7.745 14.085 ( -1.113 1.472 -2.416) 3.040 16.836 ( 3.827 4.593 2.945) 6.665 17.112 ( 3.481 2.917 14.592) 15.282 17.719 ( -3.183 4.718 4.184) 7.064 18.370 ( -6.052 18.300 -7.646) 20.736 19.190 ( 0.305 -23.768 -8.973) 25.407 22.568 ( -2.265 -0.002 -1.318) 2.621 ======================= Grid point 552 (276/336) ======================= q-point: (-0.36 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.293 4.440 3.453) 6.074 2.721 ( -0.822 7.595 3.582) 8.437 3.108 ( -1.914 8.994 11.586) 14.792 3.245 ( 1.919 7.517 4.138) 8.792 4.255 ( 1.679 -0.988 -10.971) 11.142 4.495 ( 0.879 -5.717 4.034) 7.052 4.821 ( -0.422 -15.609 -2.086) 15.753 5.178 ( 6.899 -0.599 2.938) 7.523 5.234 ( 1.242 8.046 0.344) 8.149 5.951 ( 0.484 -5.638 -1.581) 5.876 6.156 ( -2.356 1.911 -4.113) 5.111 6.275 ( -0.503 -11.558 0.131) 11.570 6.625 ( 4.172 -0.084 5.132) 6.614 7.004 ( 0.155 -1.029 2.485) 2.694 7.080 ( 1.298 -2.051 -2.957) 3.826 7.446 ( 2.148 -3.972 -3.902) 5.968 7.515 ( -6.523 -0.699 -5.104) 8.312 7.946 ( -0.048 -0.995 -2.258) 2.468 8.332 ( -0.917 -0.455 1.119) 1.516 9.019 ( 5.195 6.621 6.240) 10.476 9.293 ( 5.413 -0.665 7.922) 9.618 9.596 ( 0.919 1.236 -3.242) 3.590 9.729 ( -4.628 -4.323 -2.878) 6.956 9.944 ( -4.920 0.979 -3.639) 6.197 11.723 ( 3.314 4.496 0.986) 5.672 12.406 ( 3.287 10.241 12.502) 16.492 12.771 ( -3.220 3.568 -6.538) 8.114 13.603 ( -0.067 -2.859 0.781) 2.965 13.875 ( -0.799 -7.849 -2.655) 8.324 14.044 ( -1.060 0.237 -0.557) 1.221 16.864 ( 0.908 2.916 1.221) 3.289 17.174 ( 0.016 9.052 15.643) 18.073 17.699 ( 7.040 7.258 -0.441) 10.121 18.051 ( -3.002 19.685 -11.811) 23.152 19.378 ( -3.778 -28.345 -1.627) 28.642 22.531 ( -1.716 -0.165 -0.281) 1.746 ======================= Grid point 553 (277/336) ======================= q-point: (-0.27 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -11.663 3.291 0.150) 12.120 2.726 ( 6.523 10.641 3.473) 12.956 3.032 ( -0.446 10.291 9.774) 14.200 3.271 ( 6.202 6.839 1.706) 9.389 4.230 ( 3.279 1.684 -9.140) 9.855 4.562 ( -2.238 -6.724 1.131) 7.177 4.909 ( -6.120 -14.790 -1.093) 16.044 5.133 ( -2.002 3.632 -0.241) 4.154 5.303 ( 3.560 -2.745 -3.440) 5.660 5.991 ( 1.339 3.361 6.088) 7.082 6.147 ( 0.955 -9.778 -7.950) 12.638 6.291 ( -8.814 -11.374 -0.640) 14.404 6.714 ( 1.625 2.827 3.950) 5.122 6.990 ( 1.640 0.317 -3.478) 3.858 7.168 ( 4.345 -1.964 -0.705) 4.820 7.402 ( -4.579 -2.950 -2.761) 6.107 7.552 ( 5.556 -6.170 0.427) 8.314 7.916 ( -2.738 -0.690 -1.622) 3.256 8.334 ( -0.579 -1.361 1.567) 2.155 8.997 ( -2.758 7.551 -1.347) 8.151 9.378 ( 1.868 0.431 1.409) 2.379 9.584 ( 2.393 2.933 -2.539) 4.558 9.741 ( -0.640 -6.584 2.586) 7.102 9.917 ( 4.439 1.719 1.098) 4.885 11.728 ( 3.559 7.081 -1.651) 8.095 12.371 ( 1.782 18.073 6.265) 19.210 12.637 ( -6.461 -2.833 -3.261) 7.772 13.637 ( -0.342 -2.891 0.478) 2.950 13.892 ( -2.571 -2.791 -1.331) 4.021 14.076 ( 1.323 -6.266 1.362) 6.547 16.778 ( -6.791 5.030 -0.528) 8.467 17.194 ( 3.985 10.484 13.001) 17.170 17.597 ( -5.319 16.771 -9.438) 19.966 17.985 ( 21.677 10.111 -5.314) 24.502 19.555 ( -9.160 -29.565 2.898) 31.087 22.513 ( -0.973 0.133 1.022) 1.417 ======================= Grid point 554 (278/336) ======================= q-point: (-0.18 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -12.904 1.750 -2.591) 13.278 2.709 ( 3.554 11.980 2.615) 12.767 3.066 ( 4.511 4.985 8.716) 11.008 3.325 ( 8.605 6.719 -2.055) 11.109 4.216 ( 4.375 5.270 -5.209) 8.605 4.549 ( -4.985 -4.056 -4.384) 7.780 4.877 ( -12.169 -12.248 -0.832) 17.285 5.106 ( -0.121 -2.941 -1.622) 3.360 5.345 ( -0.441 -7.659 -5.689) 9.550 6.023 ( 1.139 3.787 8.007) 8.931 6.175 ( -4.434 -8.686 -8.585) 12.993 6.293 ( -1.302 -12.914 -2.533) 13.225 6.641 ( -7.723 4.776 3.631) 9.779 7.008 ( 3.851 2.276 -2.307) 5.033 7.166 ( -1.782 1.552 -9.125) 9.426 7.451 ( 4.127 -4.951 5.192) 8.276 7.724 ( 4.828 -8.705 3.370) 10.509 7.875 ( -1.375 -1.207 -0.690) 1.956 8.355 ( 0.320 -0.909 0.162) 0.978 8.821 ( -6.167 7.376 -2.996) 10.070 9.335 ( -5.486 -0.974 -7.621) 9.441 9.583 ( 2.642 4.534 -1.178) 5.378 9.812 ( -0.492 -4.110 3.343) 5.321 10.060 ( 11.534 2.059 6.706) 13.500 11.664 ( 1.118 11.208 -3.046) 11.668 12.297 ( 8.492 14.004 -0.248) 16.379 12.579 ( -6.906 -5.196 3.841) 9.458 13.651 ( -1.207 -3.136 -0.187) 3.365 13.839 ( -4.450 0.589 0.080) 4.489 14.175 ( 0.807 -7.540 1.039) 7.654 16.601 ( -5.496 8.846 -0.513) 10.427 17.161 ( -4.811 10.266 -5.022) 12.400 17.386 ( 5.660 12.841 5.773) 15.174 18.287 ( 27.774 7.743 -5.342) 29.324 19.648 ( -15.538 -27.230 4.032) 31.609 22.504 ( -0.723 1.065 2.050) 2.421 ======================= Grid point 555 (279/336) ======================= q-point: (-0.09 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -8.004 -3.345 -2.612) 9.060 2.694 ( 4.721 7.714 1.780) 9.217 3.119 ( 1.271 2.267 2.562) 3.649 3.392 ( 8.548 6.543 -1.637) 10.889 4.207 ( 3.868 6.153 -3.521) 8.076 4.418 ( -6.951 1.205 -9.126) 11.535 4.781 ( -12.632 -10.734 1.368) 16.634 5.148 ( 1.239 -6.305 -3.275) 7.212 5.377 ( -1.768 -10.454 -4.989) 11.718 6.020 ( -7.864 -5.257 4.764) 10.591 6.134 ( 1.415 0.483 -6.588) 6.756 6.410 ( 2.724 -11.553 -3.653) 12.419 6.471 ( -9.785 2.777 2.616) 10.502 7.007 ( -5.580 4.081 -8.824) 11.210 7.047 ( 4.398 5.977 1.511) 7.572 7.581 ( 2.677 -2.907 2.434) 4.641 7.838 ( -1.354 -6.154 3.811) 7.364 7.977 ( 7.962 -6.806 1.543) 10.587 8.327 ( -1.116 2.953 -3.329) 4.588 8.686 ( -3.459 4.443 2.315) 6.088 9.159 ( -9.045 -1.288 -12.270) 15.298 9.547 ( -0.002 6.102 -1.349) 6.249 9.834 ( -1.383 -1.552 1.613) 2.631 10.276 ( 10.610 1.018 6.870) 12.681 11.571 ( 2.676 8.731 -1.902) 9.328 12.384 ( 15.096 8.362 -3.167) 17.546 12.542 ( -7.537 -3.189 8.928) 12.112 13.661 ( -1.429 -4.187 -0.339) 4.437 13.745 ( -5.977 1.263 -0.054) 6.109 14.232 ( -1.269 -4.142 0.319) 4.344 16.445 ( -2.152 10.739 -0.611) 10.970 16.939 ( -4.295 8.412 -4.645) 10.526 17.504 ( 11.560 4.795 7.161) 14.419 18.620 ( 26.454 7.433 -7.714) 28.540 19.604 ( -21.839 -22.037 4.209) 31.310 22.493 ( -0.499 2.074 2.637) 3.392 ======================= Grid point 561 (280/336) ======================= q-point: (-0.55 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 13.381 0.000 3.074) 13.730 2.914 ( -9.790 -0.000 2.483) 10.100 3.142 ( 3.054 0.000 15.713) 16.007 3.306 ( 0.300 0.000 5.914) 5.922 4.251 ( 0.968 0.000 -5.904) 5.983 4.367 ( 1.549 0.000 3.805) 4.109 4.586 ( 1.012 0.000 -8.043) 8.106 4.927 ( 16.090 0.000 11.062) 19.526 5.378 ( 3.276 0.000 -3.172) 4.560 5.859 ( -0.976 -0.000 -7.216) 7.281 6.005 ( 8.570 0.000 -3.368) 9.208 6.292 ( -0.411 -0.000 3.270) 3.296 6.637 ( -8.408 -0.000 7.253) 11.104 6.860 ( 2.915 0.000 2.841) 4.070 7.172 ( -8.454 -0.000 -4.917) 9.780 7.407 ( 3.583 0.000 -6.976) 7.842 7.653 ( -7.545 -0.000 -6.011) 9.647 7.893 ( 4.648 0.000 -1.255) 4.815 8.337 ( -0.743 -0.000 0.388) 0.838 9.007 ( 10.141 0.000 12.948) 16.447 9.080 ( 3.065 0.000 5.919) 6.665 9.612 ( -1.890 -0.000 -1.822) 2.625 9.773 ( -1.284 -0.000 -5.687) 5.831 10.137 ( -12.614 -0.000 -4.118) 13.269 11.732 ( 0.778 0.000 3.716) 3.797 12.421 ( 1.929 0.000 13.495) 13.632 12.770 ( 10.182 0.000 0.001) 10.182 13.645 ( -6.824 -0.000 -0.940) 6.889 13.751 ( 1.510 0.000 -5.321) 5.531 14.101 ( -1.150 -0.000 -2.905) 3.124 16.879 ( 2.117 0.000 0.971) 2.329 17.142 ( 5.153 0.000 18.206) 18.921 17.762 ( -2.606 -0.000 4.674) 5.351 18.661 ( -8.031 -0.000 6.760) 10.497 18.846 ( 2.036 0.000 -24.935) 25.018 22.568 ( -2.396 -0.000 -1.280) 2.717 ======================= Grid point 563 (281/336) ======================= q-point: (-0.45 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 0.715 1.932 3.088) 3.712 2.817 ( -0.307 2.632 1.693) 3.145 3.247 ( 1.807 4.879 10.804) 11.992 3.328 ( -0.785 1.609 6.255) 6.506 4.227 ( 1.401 -1.349 -9.140) 9.345 4.406 ( -0.897 -2.858 3.033) 4.263 4.606 ( 1.408 -6.279 -3.534) 7.341 5.190 ( 9.283 1.101 4.909) 10.559 5.370 ( 0.151 4.849 -0.388) 4.867 5.826 ( -0.051 -4.571 -6.481) 7.931 6.082 ( -2.045 -5.664 -0.303) 6.029 6.255 ( -1.489 3.277 -1.602) 3.939 6.645 ( 5.605 1.558 5.996) 8.355 6.967 ( 4.492 -2.427 5.297) 7.357 7.040 ( -3.699 -1.336 -4.474) 5.957 7.395 ( -2.982 -1.140 -3.814) 4.974 7.523 ( -2.137 0.539 -6.508) 6.871 7.928 ( 0.394 -0.672 -2.023) 2.168 8.328 ( -1.113 -0.078 0.937) 1.457 9.137 ( 4.268 5.299 6.306) 9.277 9.261 ( 7.719 -2.680 10.495) 13.301 9.591 ( 0.388 -0.981 -2.227) 2.464 9.686 ( -4.402 -0.497 -7.250) 8.496 9.950 ( -6.178 -0.026 -2.991) 6.864 11.779 ( 3.673 1.441 1.002) 4.070 12.510 ( 0.758 2.129 11.613) 11.831 12.855 ( 0.519 3.348 -1.552) 3.727 13.566 ( -1.604 -0.976 0.206) 1.889 13.753 ( -0.022 -3.894 -4.256) 5.769 14.059 ( -1.481 0.623 -1.550) 2.232 16.899 ( -0.522 0.895 1.044) 1.471 17.301 ( 2.585 3.818 17.675) 18.266 17.793 ( 7.372 2.635 -0.532) 7.846 18.432 ( -4.298 21.159 -6.394) 22.518 18.876 ( -4.192 -24.804 -7.760) 26.326 22.529 ( -1.666 -0.045 -0.296) 1.693 ======================= Grid point 564 (282/336) ======================= q-point: (-0.36 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -12.346 2.694 0.918) 12.670 2.878 ( 8.821 5.289 1.948) 10.468 3.211 ( -3.008 8.985 7.122) 11.854 3.362 ( 2.618 2.110 3.600) 4.926 4.226 ( 3.285 -1.703 -7.533) 8.392 4.429 ( -3.432 -6.164 1.905) 7.308 4.673 ( -0.992 -9.546 -2.613) 9.947 5.196 ( -5.343 2.451 -2.706) 6.471 5.335 ( 1.567 5.104 -2.086) 5.732 5.866 ( -0.750 -9.759 -3.342) 10.342 6.060 ( -6.061 -6.894 0.292) 9.184 6.214 ( 2.070 4.250 -0.541) 4.758 6.784 ( 7.921 4.579 3.848) 9.926 6.991 ( 1.677 -0.014 -2.017) 2.623 7.125 ( 5.703 -3.655 0.191) 6.777 7.304 ( -6.808 -5.217 -1.660) 8.736 7.509 ( 3.348 0.104 -2.589) 4.233 7.899 ( -3.130 -0.973 -1.788) 3.733 8.318 ( -0.991 -0.449 1.686) 2.006 9.133 ( -1.733 6.475 -0.149) 6.704 9.393 ( 1.144 0.910 0.976) 1.758 9.614 ( -0.567 -2.192 -1.100) 2.517 9.618 ( 2.333 -3.133 -1.275) 4.109 9.939 ( 5.085 0.555 3.050) 5.955 11.828 ( 5.457 3.496 -1.999) 6.782 12.543 ( -2.714 0.959 9.600) 10.022 12.703 ( -8.091 8.536 -4.169) 12.478 13.597 ( 1.745 -1.093 0.472) 2.112 13.782 ( -0.072 -6.702 -2.140) 7.036 14.037 ( 0.020 0.197 0.482) 0.521 16.846 ( -4.354 2.350 -0.024) 4.948 17.366 ( 0.443 7.106 13.846) 15.569 17.884 ( 6.630 12.064 -7.181) 15.526 18.188 ( 8.085 13.118 -6.794) 16.841 19.014 ( -7.999 -27.617 2.006) 28.822 22.516 ( -0.329 0.115 0.993) 1.053 ======================= Grid point 565 (283/336) ======================= q-point: (-0.27 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -13.848 3.243 -1.847) 14.342 2.926 ( 3.107 10.621 1.174) 11.128 3.156 ( 1.467 4.957 5.552) 7.586 3.404 ( 3.533 1.263 -0.060) 3.753 4.271 ( 5.161 0.250 -3.625) 6.312 4.433 ( -4.664 -7.205 0.102) 8.583 4.685 ( -5.977 -7.720 -4.528) 10.762 5.058 ( -7.022 -2.680 -4.057) 8.541 5.273 ( -1.841 0.627 -6.076) 6.379 5.886 ( -8.328 -11.574 -1.192) 14.308 6.078 ( 0.579 -8.880 -2.325) 9.198 6.232 ( 6.017 7.197 1.202) 9.457 6.762 ( -4.818 8.017 0.923) 9.399 7.037 ( 5.297 1.285 -1.347) 5.615 7.191 ( 2.471 0.314 -7.240) 7.657 7.339 ( 2.799 -7.371 3.482) 8.620 7.594 ( 3.521 -4.727 4.007) 7.128 7.848 ( -2.583 -1.616 -1.195) 3.273 8.336 ( 1.007 -0.947 1.804) 2.273 8.970 ( -6.341 8.307 -4.358) 11.323 9.316 ( -6.335 -1.368 -7.963) 10.267 9.640 ( 3.016 1.710 -1.375) 3.730 9.718 ( 2.015 -5.163 3.842) 6.744 10.101 ( 10.761 1.971 8.015) 13.562 11.848 ( 4.944 7.911 -3.967) 10.137 12.465 ( -7.174 2.208 -6.471) 9.911 12.545 ( -2.877 3.104 10.605) 11.418 13.615 ( 0.154 -0.343 -1.099) 1.162 13.817 ( -1.988 -3.303 0.238) 3.862 14.073 ( 2.165 -2.954 1.183) 3.849 16.738 ( -3.635 5.634 -0.159) 6.707 17.329 ( -4.148 7.382 0.292) 8.473 17.683 ( -0.371 18.466 -0.084) 18.470 18.402 ( 25.065 4.049 -6.316) 26.164 19.134 ( -12.675 -26.839 6.330) 30.349 22.523 ( 0.496 0.868 1.934) 2.177 ======================= Grid point 566 (284/336) ======================= q-point: (-0.18 0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -9.279 2.633 -3.415) 10.232 2.844 ( -0.780 8.435 0.703) 8.500 3.178 ( 1.919 3.832 0.648) 4.334 3.454 ( 2.995 -0.384 0.004) 3.019 4.304 ( 1.565 4.549 -5.714) 7.469 4.417 ( -2.112 -3.906 0.626) 4.484 4.585 ( -9.177 -7.217 -4.374) 12.467 5.014 ( -2.436 -8.754 -3.991) 9.925 5.221 ( -2.393 -4.894 -5.260) 7.573 5.831 ( -9.620 -10.852 -1.310) 14.562 6.181 ( 2.173 -8.010 -3.486) 9.002 6.274 ( 7.711 6.236 -0.580) 9.934 6.567 ( -9.570 6.854 0.820) 11.800 7.076 ( 0.769 3.720 -5.636) 6.796 7.151 ( 3.347 4.503 -1.556) 5.822 7.492 ( 3.397 -6.833 3.131) 8.248 7.714 ( -0.127 -6.050 6.646) 8.988 7.879 ( 5.261 -3.947 -0.526) 6.598 8.366 ( 1.118 1.001 -1.095) 1.858 8.780 ( -5.109 5.964 -1.437) 7.983 9.143 ( -9.137 -0.767 -10.815) 14.178 9.638 ( 0.326 3.423 -1.591) 3.788 9.789 ( 0.109 -3.038 1.652) 3.460 10.301 ( 9.113 1.548 7.927) 12.177 11.770 ( 0.685 11.934 -3.113) 12.352 12.387 ( 0.159 -4.060 -5.728) 7.022 12.569 ( 1.423 1.846 10.817) 11.065 13.606 ( -0.692 -1.211 -2.109) 2.529 13.774 ( -4.548 1.503 1.188) 4.935 14.151 ( 1.846 -4.194 0.668) 4.631 16.634 ( -0.916 8.969 -0.233) 9.019 17.107 ( -6.857 8.960 -8.261) 13.984 17.634 ( 4.882 9.348 9.454) 14.163 18.728 ( 24.686 2.950 -11.707) 27.480 19.175 ( -16.817 -22.278 10.014) 29.655 22.532 ( 0.677 1.980 2.192) 3.031 ======================= Grid point 567 (285/336) ======================= q-point: (-0.09 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -3.727 -0.106 -2.095) 4.277 2.769 ( -2.350 2.554 -1.263) 3.693 3.143 ( -0.413 2.680 -3.971) 4.809 3.500 ( 0.872 -0.278 4.054) 4.156 4.126 ( -9.281 2.700 -11.795) 15.249 4.442 ( 4.326 6.905 -4.672) 9.392 4.549 ( -4.572 -9.186 5.474) 11.629 5.064 ( 0.347 -9.314 -4.600) 10.394 5.237 ( -0.312 -8.882 -2.283) 9.177 5.782 ( -7.004 -8.897 -0.599) 11.339 6.188 ( 0.436 3.663 -5.017) 6.228 6.373 ( -6.958 3.761 0.094) 7.910 6.394 ( 6.276 -4.953 -2.400) 8.347 6.921 ( -6.068 7.411 -5.708) 11.150 7.207 ( 6.141 5.338 3.671) 8.927 7.597 ( 2.102 -4.749 0.424) 5.211 7.796 ( -0.557 -4.969 6.601) 8.281 8.045 ( 7.721 -5.739 -1.007) 9.673 8.323 ( -0.435 2.656 -4.160) 4.955 8.688 ( -4.047 4.494 3.366) 6.921 8.931 ( -7.923 -1.322 -11.193) 13.777 9.570 ( -2.074 4.573 -1.732) 5.312 9.813 ( -0.213 -1.400 0.227) 1.434 10.442 ( 4.712 0.257 4.577) 6.574 11.667 ( 0.673 7.639 -1.344) 7.785 12.402 ( -3.056 -4.152 1.955) 5.513 12.698 ( 9.649 2.496 6.189) 11.732 13.595 ( -0.982 -2.818 -3.408) 4.530 13.676 ( -4.834 3.278 1.061) 5.936 14.202 ( 0.208 -2.057 0.452) 2.117 16.519 ( -0.994 10.748 -2.348) 11.046 16.935 ( -1.917 5.385 -1.182) 5.837 17.738 ( 8.038 1.893 7.317) 11.033 18.905 ( 3.061 -6.625 -19.871) 21.168 19.192 ( -3.853 -6.334 15.561) 17.237 22.535 ( 0.989 2.634 1.879) 3.383 ======================= Grid point 574 (286/336) ======================= q-point: ( 0.55 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -12.581 -0.000 1.262) 12.644 2.926 ( 9.523 0.000 1.206) 9.599 3.326 ( -4.476 -0.000 5.884) 7.393 3.358 ( 2.008 0.000 4.881) 5.278 4.198 ( 1.387 0.000 -4.688) 4.889 4.370 ( -2.082 -0.000 -0.491) 2.139 4.580 ( 0.938 0.000 -2.931) 3.078 5.222 ( -6.418 -0.000 -3.644) 7.380 5.405 ( 0.400 0.000 -0.874) 0.961 5.757 ( -1.590 -0.000 -5.002) 5.249 5.984 ( -4.889 -0.000 -0.195) 4.892 6.268 ( 2.717 0.000 0.544) 2.771 6.847 ( 12.356 0.000 5.061) 13.353 6.993 ( 2.571 0.000 -3.419) 4.278 7.061 ( 4.367 0.000 0.635) 4.413 7.258 ( -8.730 -0.000 -0.509) 8.745 7.514 ( 2.448 0.000 -3.725) 4.458 7.888 ( -3.257 -0.000 -1.837) 3.740 8.315 ( -1.154 -0.000 1.648) 2.012 9.204 ( -1.192 -0.000 0.734) 1.400 9.403 ( 0.921 0.000 0.923) 1.304 9.549 ( -0.989 -0.000 -0.167) 1.003 9.621 ( 2.460 0.000 -3.741) 4.478 9.943 ( 5.482 0.000 3.826) 6.685 11.860 ( 6.021 0.000 -2.210) 6.413 12.546 ( -4.034 -0.000 7.534) 8.546 12.793 ( -9.679 -0.000 -0.983) 9.728 13.593 ( 4.599 0.000 1.557) 4.856 13.707 ( -0.482 -0.000 -3.797) 3.827 14.042 ( -0.390 -0.000 0.288) 0.485 16.868 ( -3.545 -0.000 0.165) 3.549 17.436 ( -0.686 -0.000 13.466) 13.484 17.995 ( 17.284 0.000 -5.469) 18.129 18.478 ( -6.901 -0.000 -16.954) 18.305 18.588 ( -3.898 -0.000 11.120) 11.783 22.517 ( -0.091 -0.000 0.982) 0.986 ======================= Grid point 576 (287/336) ======================= q-point: (-0.36 0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -13.617 1.682 -1.058) 13.762 3.076 ( 8.259 4.520 0.958) 9.463 3.240 ( -5.635 3.130 4.476) 7.847 3.393 ( -0.229 -1.234 -0.660) 1.418 4.220 ( -0.987 -3.499 4.519) 5.800 4.359 ( 3.010 -1.011 -5.867) 6.671 4.581 ( -0.664 -3.139 -4.235) 5.313 5.020 ( -12.919 -1.043 -7.356) 14.903 5.329 ( -4.408 3.309 -5.307) 7.651 5.706 ( -6.132 -6.338 -2.484) 9.162 5.962 ( 1.312 -3.233 -2.009) 4.026 6.341 ( 6.251 3.421 2.277) 7.481 6.932 ( -3.376 9.567 -2.289) 10.400 7.060 ( 6.722 0.922 0.880) 6.842 7.130 ( 5.797 -7.945 -3.851) 10.562 7.226 ( 1.899 -2.327 1.989) 3.602 7.545 ( 1.638 -0.983 3.265) 3.782 7.822 ( -3.244 -0.847 -1.437) 3.648 8.324 ( 0.867 -0.333 2.212) 2.399 9.115 ( -5.287 6.157 -3.741) 8.937 9.273 ( -8.409 -3.015 -10.215) 13.570 9.643 ( 3.729 -2.238 5.673) 7.148 9.656 ( 3.457 0.214 -2.275) 4.144 10.127 ( 10.799 0.680 8.831) 13.966 11.946 ( 8.695 2.503 -5.086) 10.380 12.486 ( -8.037 1.214 3.578) 8.881 12.590 ( -11.314 0.553 1.285) 11.400 13.644 ( 1.462 3.253 -1.438) 3.845 13.731 ( 2.392 -5.046 0.397) 5.598 14.050 ( 0.750 -0.203 1.284) 1.501 16.809 ( -2.242 1.917 -0.111) 2.952 17.427 ( -5.221 2.798 2.709) 6.514 18.056 ( 0.175 20.642 -4.637) 21.157 18.390 ( 11.758 -8.639 -8.580) 16.926 18.715 ( -2.030 -13.635 11.385) 17.879 22.535 ( 1.215 0.334 1.867) 2.252 ======================= Grid point 577 (288/336) ======================= q-point: (-0.27 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -7.895 3.927 -2.881) 9.277 3.006 ( -5.946 8.566 1.140) 10.490 3.248 ( 2.929 2.914 0.264) 4.140 3.386 ( -2.000 -5.836 -1.838) 6.438 4.278 ( -2.753 -7.304 8.225) 11.339 4.392 ( 3.974 4.503 -6.045) 8.522 4.532 ( -2.115 -0.714 -8.840) 9.117 4.831 ( -8.043 -9.637 -7.337) 14.540 5.194 ( -4.847 1.026 -4.228) 6.513 5.653 ( -6.531 -7.620 -1.632) 10.168 6.043 ( 4.864 -5.217 -2.781) 7.656 6.402 ( 5.431 5.437 -0.630) 7.710 6.714 ( -9.146 8.142 -2.307) 12.461 7.151 ( 3.630 4.162 -1.522) 5.729 7.203 ( 5.292 0.748 -4.239) 6.821 7.339 ( 1.871 -8.327 3.421) 9.194 7.632 ( 1.820 -2.808 8.728) 9.347 7.818 ( 2.816 -2.543 -1.446) 4.060 8.370 ( 2.678 -0.216 1.257) 2.966 8.906 ( -7.213 7.109 -6.105) 11.825 9.115 ( -8.295 -2.600 -8.709) 12.306 9.678 ( 0.719 1.020 -1.602) 2.031 9.734 ( 1.915 -2.483 2.085) 3.766 10.328 ( 7.891 1.228 8.579) 11.721 11.989 ( 4.979 10.267 -4.526) 12.276 12.331 ( -5.541 -0.868 -1.914) 5.926 12.531 ( -3.844 -5.535 6.969) 9.694 13.613 ( -0.298 1.400 -3.019) 3.341 13.792 ( 0.322 0.308 2.035) 2.084 14.087 ( 1.617 -2.381 0.773) 2.980 16.766 ( 0.644 4.949 0.569) 5.023 17.248 ( -8.767 5.456 -8.933) 13.654 17.863 ( -1.442 15.256 7.521) 17.070 18.596 ( 0.250 -18.752 -9.406) 20.981 18.923 ( 11.050 -2.435 10.240) 15.261 22.563 ( 1.573 1.205 1.867) 2.722 ======================= Grid point 578 (289/336) ======================= q-point: (-0.18 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.210 6.620 -2.729) 7.164 2.831 ( -8.365 4.186 -0.354) 9.360 3.184 ( -4.622 0.943 -5.148) 6.983 3.443 ( 0.373 -5.085 3.724) 6.314 4.207 ( -9.122 6.094 -10.751) 15.360 4.373 ( -0.971 -8.248 5.103) 9.748 4.538 ( 7.044 2.924 -5.102) 9.176 4.852 ( -0.015 -12.621 -4.129) 13.280 5.129 ( -2.212 -3.070 -0.808) 3.869 5.633 ( -3.174 -6.732 -0.483) 7.458 6.156 ( 5.141 -4.615 -4.455) 8.220 6.409 ( 3.589 4.011 -4.635) 7.103 6.488 ( -8.088 7.903 -0.204) 11.310 7.058 ( -3.915 6.968 -3.903) 8.895 7.285 ( 5.384 2.083 1.039) 5.865 7.452 ( 1.091 -8.660 2.370) 9.045 7.737 ( 1.403 -1.818 9.005) 9.293 7.937 ( 7.590 -5.217 -1.961) 9.416 8.388 ( 0.709 3.271 -3.524) 4.860 8.743 ( -3.628 1.678 -0.799) 4.076 8.931 ( -9.007 1.172 -8.534) 12.463 9.634 ( -2.474 2.160 -2.224) 3.966 9.782 ( 0.842 -1.669 0.503) 1.936 10.449 ( 3.087 0.477 5.290) 6.143 11.859 ( -2.448 12.410 -1.407) 12.727 12.328 ( -0.625 -3.471 1.771) 3.947 12.643 ( 5.303 -7.635 4.639) 10.390 13.578 ( -0.218 0.354 -4.323) 4.343 13.758 ( -2.321 5.183 1.930) 5.998 14.147 ( 1.404 -3.597 0.239) 3.869 16.713 ( -0.190 9.393 -2.344) 9.683 17.022 ( -5.271 3.594 -5.718) 8.567 17.815 ( 0.874 6.493 10.010) 11.963 18.625 ( -12.153 -18.651 -4.958) 22.806 19.199 ( 16.901 2.895 3.135) 17.431 22.581 ( 1.425 2.076 1.051) 2.728 ======================= Grid point 579 (290/336) ======================= q-point: (-0.09 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 3.489 8.372 -0.814) 9.106 2.652 ( -10.959 -0.901 -1.976) 11.172 3.083 ( -5.775 -2.886 -1.283) 6.582 3.509 ( -0.383 -2.690 5.905) 6.500 3.947 ( -7.719 4.334 -10.877) 14.024 4.429 ( 0.884 -1.733 -2.223) 2.954 4.602 ( 5.125 1.394 -1.540) 5.529 4.969 ( 2.896 -8.907 -1.836) 9.544 5.174 ( 0.887 -7.357 2.536) 7.833 5.677 ( 1.746 -4.419 1.697) 5.046 6.194 ( 1.902 3.217 -6.015) 7.082 6.318 ( -4.433 4.662 -0.708) 6.472 6.418 ( 2.520 -0.962 -6.531) 7.066 6.893 ( -3.901 7.936 -1.359) 8.947 7.338 ( 1.675 0.559 2.394) 2.975 7.577 ( 3.735 -6.872 0.736) 7.856 7.809 ( -0.225 -1.126 6.886) 6.981 8.100 ( 7.211 -5.517 -3.073) 9.585 8.305 ( -1.068 3.496 -5.993) 7.020 8.663 ( -8.101 8.477 -0.183) 11.727 8.784 ( -0.686 -5.036 -2.868) 5.836 9.555 ( -1.900 2.450 -2.772) 4.158 9.800 ( -0.369 -0.858 0.389) 1.012 10.494 ( 0.026 -0.687 2.203) 2.307 11.718 ( -2.430 7.518 -0.278) 7.906 12.344 ( -4.636 -1.845 7.500) 9.008 12.848 ( 7.781 -5.788 2.148) 9.933 13.552 ( 1.271 -0.086 -5.838) 5.975 13.674 ( -1.760 5.785 1.228) 6.170 14.190 ( 0.183 -2.219 0.384) 2.260 16.552 ( -3.799 8.736 -5.671) 11.087 16.968 ( 0.959 2.061 1.936) 2.986 17.875 ( 2.197 -1.165 8.036) 8.412 18.522 ( -15.708 -13.782 -2.762) 21.078 19.418 ( 13.961 5.410 -0.771) 14.992 22.586 ( 1.566 2.180 -0.073) 2.685 ======================= Grid point 587 (291/336) ======================= q-point: (-0.36 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -6.806 -0.000 -2.483) 7.245 3.121 ( -11.558 -0.000 4.308) 12.334 3.248 ( 7.782 0.000 0.953) 7.840 3.323 ( -5.304 -0.000 -6.652) 8.508 4.204 ( -2.174 -0.000 8.115) 8.401 4.442 ( 10.440 0.000 -5.140) 11.637 4.537 ( 0.232 0.000 -5.614) 5.618 4.716 ( -15.527 -0.000 -10.984) 19.019 5.214 ( -6.856 -0.000 -4.383) 8.137 5.574 ( -4.494 -0.000 -1.456) 4.724 5.994 ( 5.511 0.000 -2.510) 6.056 6.455 ( 4.689 0.000 -1.427) 4.902 6.812 ( -9.776 -0.000 -4.071) 10.590 7.189 ( 5.739 0.000 -4.264) 7.149 7.219 ( 7.015 0.000 7.468) 10.246 7.234 ( 0.382 0.000 -3.428) 3.449 7.606 ( 2.242 0.000 9.260) 9.528 7.792 ( 1.942 0.000 -1.724) 2.597 8.367 ( 2.992 0.000 1.951) 3.572 9.012 ( -10.671 -0.000 -13.116) 16.908 9.055 ( -5.138 -0.000 -2.609) 5.762 9.686 ( 0.781 0.000 -1.473) 1.667 9.709 ( 2.725 0.000 2.226) 3.518 10.341 ( 7.506 0.000 8.815) 11.578 12.095 ( 12.487 0.000 -7.054) 14.342 12.372 ( -13.172 -0.000 0.654) 13.188 12.418 ( -6.065 -0.000 6.370) 8.795 13.632 ( -1.389 -0.000 -3.452) 3.721 13.792 ( 4.464 0.000 2.413) 5.074 14.066 ( 0.386 0.000 0.894) 0.973 16.813 ( 1.329 0.000 0.815) 1.559 17.300 ( -9.437 -0.000 -8.141) 12.463 18.159 ( -9.767 -0.000 9.403) 13.558 18.250 ( -0.011 -0.000 -6.887) 6.887 18.918 ( 18.488 0.000 5.075) 19.172 22.575 ( 1.906 0.000 1.748) 2.586 ======================= Grid point 588 (292/336) ======================= q-point: (-0.27 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 3.674 4.096 -2.538) 6.059 2.921 ( -12.971 4.596 3.602) 14.225 3.147 ( -12.157 -4.207 -8.222) 15.268 3.370 ( 4.836 -1.657 2.206) 5.567 4.264 ( 2.566 -2.996 5.221) 6.543 4.351 ( -10.263 8.598 -10.824) 17.217 4.550 ( 3.209 -2.999 -7.896) 9.035 4.635 ( 6.232 -7.741 -0.914) 9.980 5.101 ( -4.773 -0.443 -0.064) 4.794 5.543 ( -0.404 -2.599 -0.153) 2.635 6.091 ( 7.388 -1.853 -3.690) 8.464 6.464 ( 0.923 1.535 -7.510) 7.721 6.633 ( -7.043 5.648 -0.156) 9.030 7.163 ( -2.938 3.604 -1.829) 4.997 7.226 ( -2.846 -5.612 -1.207) 6.407 7.385 ( 8.225 0.284 4.275) 9.274 7.714 ( 2.636 -0.718 10.021) 10.387 7.864 ( 6.817 -2.239 -3.102) 7.817 8.429 ( 3.484 0.996 0.129) 3.626 8.765 ( -8.643 0.726 -10.303) 13.468 8.954 ( -5.937 0.821 -2.547) 6.512 9.655 ( -2.591 0.389 -2.447) 3.584 9.758 ( 1.711 -0.748 0.852) 2.053 10.457 ( 1.907 0.268 5.608) 5.929 12.104 ( -4.802 12.523 -0.485) 13.421 12.273 ( 2.124 -2.906 -0.006) 3.600 12.461 ( 2.192 -9.597 4.557) 10.848 13.588 ( -0.640 0.373 -4.538) 4.598 13.847 ( 1.678 3.366 2.217) 4.366 14.083 ( 0.377 -2.573 -0.095) 2.602 16.846 ( 2.927 4.096 0.831) 5.103 17.063 ( -9.920 0.903 -11.239) 15.018 17.983 ( -6.686 11.101 11.139) 17.089 18.288 ( -8.069 -15.978 -0.100) 17.900 19.241 ( 19.569 1.240 -0.093) 19.608 22.608 ( 1.694 0.786 0.576) 1.954 ======================= Grid point 589 (293/336) ======================= q-point: (-0.18 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 10.007 11.050 -1.258) 14.961 2.667 ( -15.277 2.908 0.439) 15.558 2.970 ( -12.733 -9.073 -1.025) 15.668 3.459 ( 1.594 -2.102 4.327) 5.068 4.052 ( -8.890 6.468 -11.501) 15.910 4.378 ( 5.412 -2.622 -1.025) 6.100 4.590 ( 3.452 -3.723 -6.471) 8.225 4.823 ( 7.613 -4.995 3.975) 9.935 5.080 ( -1.540 -3.019 3.830) 5.114 5.610 ( 5.167 -2.601 1.974) 6.112 6.205 ( 8.183 -0.856 -6.224) 10.317 6.387 ( -1.611 1.669 -8.320) 8.637 6.489 ( -2.963 7.691 0.424) 8.253 7.038 ( -5.069 6.622 -1.170) 8.422 7.236 ( -3.909 -9.730 -0.052) 10.486 7.517 ( 5.541 0.212 2.560) 6.107 7.801 ( 0.587 -0.119 7.810) 7.833 7.998 ( 8.458 -4.419 -3.795) 10.270 8.405 ( -0.565 6.102 -5.437) 8.193 8.668 ( -1.322 -6.234 -2.372) 6.800 8.810 ( -6.776 5.921 -1.081) 9.063 9.583 ( -3.058 0.525 -3.446) 4.637 9.786 ( 0.262 -0.591 1.008) 1.197 10.483 ( -1.263 -0.480 2.726) 3.042 11.902 ( -5.689 11.030 0.596) 12.425 12.313 ( -2.686 -1.332 7.347) 7.936 12.674 ( 8.136 -11.054 -0.072) 13.726 13.557 ( 1.493 0.321 -6.014) 6.205 13.809 ( -0.652 7.566 1.445) 7.730 14.125 ( 0.524 -4.432 -0.230) 4.469 16.715 ( -6.704 8.170 -9.061) 13.921 16.973 ( 0.771 -1.536 -0.350) 1.754 17.892 ( -6.059 2.828 12.076) 13.804 18.273 ( -10.309 -11.925 2.371) 15.940 19.502 ( 16.733 3.219 -3.833) 17.465 22.620 ( 1.352 1.352 -1.081) 2.196 ======================= Grid point 590 (294/336) ======================= q-point: (-0.09 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 6.026 16.895 -0.477) 17.944 2.438 ( -12.883 -2.058 5.469) 14.146 2.892 ( -10.411 -10.453 3.029) 15.060 3.512 ( -2.311 -2.878 7.164) 8.059 3.832 ( -3.655 4.065 -8.649) 10.232 4.449 ( 4.619 -0.425 -6.198) 7.741 4.650 ( 4.622 -1.479 -3.891) 6.220 4.996 ( 5.801 -2.694 2.860) 7.006 5.142 ( -0.169 -6.204 6.429) 8.936 5.776 ( 10.832 -0.220 4.196) 11.618 6.250 ( 4.469 5.114 -8.036) 10.521 6.313 ( 1.325 4.053 -4.013) 5.855 6.408 ( -0.527 3.771 -1.965) 4.285 6.900 ( -2.334 4.732 -2.268) 5.743 7.274 ( -3.337 -9.086 0.147) 9.681 7.590 ( 1.632 -4.201 -1.359) 4.707 7.830 ( -1.424 0.355 5.452) 5.646 8.165 ( 9.038 -2.811 -2.184) 9.714 8.305 ( 0.254 5.079 -3.926) 6.424 8.614 ( -6.734 8.548 -1.443) 10.977 8.744 ( 0.955 -6.026 2.242) 6.500 9.524 ( -0.823 -0.199 -4.230) 4.314 9.792 ( -0.779 -0.013 1.794) 1.956 10.474 ( -2.367 -1.421 1.661) 3.222 11.728 ( -5.356 7.779 0.177) 9.446 12.292 ( -7.886 -0.297 10.359) 13.023 12.874 ( 4.801 -9.035 -2.486) 10.530 13.572 ( 5.639 0.002 -5.873) 8.142 13.730 ( -0.271 7.706 0.646) 7.738 14.167 ( -0.047 -3.303 0.404) 3.328 16.496 ( -5.807 4.826 -6.864) 10.204 16.995 ( 0.292 -0.868 -1.013) 1.365 17.838 ( -10.721 -4.418 8.135) 14.165 18.246 ( -7.019 -7.228 7.759) 12.717 19.672 ( 14.139 6.131 -6.275) 16.640 22.619 ( 1.412 1.159 -2.437) 3.045 ======================= Grid point 599 (295/336) ======================= q-point: (-0.27 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 13.891 0.000 -1.563) 13.979 2.754 ( -15.536 -0.000 8.537) 17.727 2.809 ( -18.056 -0.000 -7.565) 19.577 3.440 ( 2.243 0.000 3.316) 4.003 4.135 ( -10.565 -0.000 -13.299) 16.985 4.350 ( 6.720 0.000 -0.537) 6.741 4.524 ( 4.298 0.000 -5.415) 6.913 4.785 ( 9.561 0.000 4.543) 10.585 5.052 ( -2.482 -0.000 4.498) 5.138 5.585 ( 6.345 0.000 2.113) 6.688 6.194 ( 9.944 0.000 -5.819) 11.522 6.402 ( -1.002 -0.000 -10.715) 10.762 6.588 ( -3.494 -0.000 2.084) 4.068 7.108 ( -5.659 -0.000 -0.923) 5.734 7.112 ( -5.513 -0.000 0.175) 5.516 7.524 ( 4.997 0.000 1.720) 5.285 7.800 ( 0.993 0.000 8.327) 8.386 7.954 ( 9.057 0.000 -4.285) 10.019 8.496 ( 3.784 0.000 -0.790) 3.866 8.575 ( -6.443 -0.000 -7.967) 10.246 8.870 ( -5.274 -0.000 0.267) 5.281 9.585 ( -3.616 -0.000 -3.644) 5.134 9.780 ( 0.612 0.000 1.223) 1.368 10.478 ( -1.872 -0.000 2.884) 3.438 12.041 ( -8.987 -0.000 2.178) 9.247 12.299 ( -1.660 -0.000 6.682) 6.885 12.535 ( 10.159 0.000 -1.427) 10.258 13.560 ( 1.407 0.000 -6.101) 6.261 13.904 ( 0.808 0.000 1.946) 2.107 14.061 ( -0.243 -0.000 -0.997) 1.026 16.816 ( -10.612 -0.000 -12.293) 16.240 16.937 ( 3.409 0.000 0.521) 3.449 17.944 ( -14.617 -0.000 15.385) 21.222 18.132 ( -2.506 -0.000 2.360) 3.442 19.532 ( 17.578 0.000 -4.595) 18.169 22.634 ( 1.280 0.000 -1.448) 1.933 ======================= Grid point 600 (296/336) ======================= q-point: (-0.18 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 14.000 11.876 -2.035) 18.471 2.448 ( -16.965 4.173 6.103) 18.506 2.648 ( -15.242 -13.878 6.282) 21.550 3.471 ( -3.171 -1.225 6.154) 7.030 3.908 ( -5.422 2.955 -10.341) 12.044 4.430 ( 5.140 -1.129 -7.936) 9.522 4.605 ( 6.868 -2.020 -2.855) 7.707 4.963 ( 7.295 -0.810 7.254) 10.319 5.071 ( -0.706 -1.679 6.804) 7.043 5.771 ( 13.842 -0.231 4.754) 14.637 6.315 ( 7.373 2.220 -9.207) 12.002 6.342 ( 5.013 -0.440 -9.179) 10.468 6.533 ( -1.348 6.906 3.711) 7.955 6.985 ( -6.118 3.234 -2.632) 7.403 7.072 ( -4.447 -9.250 0.269) 10.267 7.547 ( -1.329 -0.959 -3.142) 3.543 7.838 ( -1.194 0.297 5.873) 6.001 8.118 ( 12.229 -1.433 -1.198) 12.371 8.426 ( -1.043 6.920 -3.201) 7.695 8.590 ( 1.447 -7.291 -1.911) 7.675 8.768 ( -5.981 4.300 2.016) 7.637 9.512 ( -2.525 -0.677 -4.202) 4.949 9.792 ( -0.167 0.039 1.960) 1.967 10.453 ( -3.152 -0.682 2.055) 3.824 11.882 ( -7.953 6.404 1.188) 10.280 12.283 ( -7.152 -0.493 9.223) 11.682 12.704 ( 7.788 -6.651 -3.747) 10.906 13.572 ( 5.057 -0.001 -6.169) 7.977 13.877 ( -0.675 6.607 1.169) 6.744 14.085 ( 0.542 -4.659 -0.364) 4.704 16.575 ( -8.395 2.769 -10.088) 13.413 16.967 ( 0.125 -1.399 -3.099) 3.403 17.784 ( -16.097 -1.400 12.457) 20.403 18.149 ( -3.244 -2.817 10.188) 11.057 19.753 ( 16.210 2.261 -7.541) 18.020 22.635 ( 1.076 0.460 -3.285) 3.487 ======================= Grid point 601 (297/336) ======================= q-point: (-0.09 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -4.713 20.639 -0.586) 21.178 2.351 ( -2.646 -1.183 17.102) 17.346 2.603 ( -13.048 -15.662 4.516) 20.879 3.408 ( -12.612 -3.646 6.516) 14.657 3.841 ( 5.734 2.156 -2.092) 6.474 4.445 ( 2.560 -2.574 -11.699) 12.250 4.726 ( 7.826 -0.182 -0.399) 7.838 5.083 ( 2.658 0.808 3.708) 4.634 5.160 ( 3.195 -3.507 8.559) 9.786 6.062 ( 18.665 3.429 5.447) 19.744 6.280 ( 1.187 3.356 -5.176) 6.282 6.417 ( 7.858 4.975 -10.806) 14.257 6.478 ( 2.221 8.340 4.542) 9.753 6.855 ( -3.353 0.399 -5.178) 6.182 7.124 ( -2.339 -10.693 -1.585) 11.060 7.525 ( -0.311 -5.446 -3.223) 6.336 7.843 ( -0.909 0.553 4.731) 4.849 8.269 ( 3.147 3.399 -4.944) 6.775 8.404 ( 8.780 2.838 4.980) 10.486 8.577 ( -6.147 6.156 -1.425) 8.815 8.712 ( 0.065 -5.691 2.694) 6.297 9.471 ( -0.794 -2.257 -4.953) 5.501 9.803 ( 0.280 0.517 2.831) 2.891 10.418 ( -4.287 -1.671 1.929) 4.989 11.686 ( -8.587 7.121 -0.496) 11.167 12.182 ( -13.072 -1.654 8.674) 15.775 12.839 ( 4.605 -6.465 -6.025) 9.965 13.652 ( 8.049 -0.852 -3.910) 8.989 13.804 ( -0.321 7.457 0.709) 7.498 14.144 ( 1.429 -3.713 1.245) 4.169 16.394 ( -4.926 1.418 -6.635) 8.385 16.935 ( -2.831 -2.605 -5.349) 6.589 17.607 ( -16.829 -4.718 7.846) 19.158 18.169 ( -8.055 -3.404 13.705) 16.257 19.936 ( 17.593 6.087 -7.583) 20.102 22.625 ( 1.165 0.325 -4.178) 4.350 ======================= Grid point 611 (298/336) ======================= q-point: (-0.18 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.762 0.000 -8.941) 8.973 2.337 ( -18.523 -0.000 12.485) 22.338 2.343 ( -3.524 -0.000 18.639) 18.970 3.373 ( -13.145 -0.000 5.973) 14.438 3.865 ( 4.638 0.000 -2.828) 5.432 4.414 ( 1.393 0.000 -12.110) 12.190 4.721 ( 9.138 0.000 0.012) 9.138 5.109 ( 1.351 0.000 6.753) 6.887 5.111 ( 5.644 0.000 7.426) 9.327 6.092 ( 20.993 0.000 6.675) 22.029 6.310 ( 2.040 0.000 -6.140) 6.470 6.469 ( 11.962 0.000 -10.995) 16.248 6.589 ( -0.927 -0.000 3.841) 3.951 6.923 ( -0.436 -0.000 -4.870) 4.889 6.925 ( -5.911 -0.000 -0.723) 5.955 7.476 ( -1.887 -0.000 -4.069) 4.485 7.849 ( -1.015 -0.000 4.660) 4.769 8.293 ( 7.895 0.000 -2.901) 8.411 8.481 ( 4.574 0.000 6.080) 7.609 8.559 ( 1.339 0.000 -3.794) 4.024 8.699 ( -6.865 -0.000 2.192) 7.207 9.446 ( -1.828 -0.000 -4.510) 4.866 9.808 ( 0.510 0.000 2.617) 2.667 10.400 ( -4.639 -0.000 2.120) 5.101 11.777 ( -9.391 -0.000 0.181) 9.393 12.153 ( -14.499 -0.000 5.459) 15.493 12.768 ( 7.217 0.000 -4.697) 8.611 13.644 ( 7.585 0.000 -4.137) 8.640 13.897 ( -2.186 -0.000 1.128) 2.460 14.088 ( 3.416 0.000 1.052) 3.574 16.411 ( -5.912 -0.000 -8.505) 10.357 16.907 ( -2.929 -0.000 -5.915) 6.601 17.561 ( -18.595 -0.000 9.792) 21.016 18.137 ( -8.000 -0.000 14.430) 16.499 19.994 ( 18.971 0.000 -7.833) 20.524 22.629 ( 1.055 0.000 -4.608) 4.727 ======================= Grid point 612 (299/336) ======================= q-point: (-0.09 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 606 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -13.991 18.283 4.790) 23.515 2.236 ( -16.954 -18.202 9.248) 26.538 2.505 ( 5.261 0.617 17.124) 17.925 3.153 ( -18.505 -2.352 5.347) 19.405 4.009 ( 11.677 0.755 4.443) 12.517 4.344 ( -1.405 -3.122 -14.177) 14.585 4.883 ( 10.009 0.774 2.655) 10.384 5.170 ( 3.410 2.960 4.557) 6.415 5.247 ( 4.576 -2.649 5.939) 7.952 6.313 ( 2.182 3.033 -0.095) 3.738 6.471 ( 9.790 7.620 -0.165) 12.407 6.491 ( 11.864 4.518 0.018) 12.695 6.605 ( 6.310 -2.542 -6.166) 9.182 6.786 ( -3.764 3.403 -1.870) 5.408 7.007 ( 3.225 -7.496 -4.511) 9.324 7.494 ( 4.299 -4.049 -1.005) 5.991 7.888 ( 3.161 0.094 5.017) 5.931 8.281 ( -1.731 3.960 -4.876) 6.516 8.493 ( -8.247 2.881 -2.809) 9.176 8.609 ( 3.789 1.805 2.275) 4.774 8.711 ( 7.267 -3.908 8.666) 11.966 9.403 ( -1.042 -2.133 -4.984) 5.521 9.844 ( 2.108 0.257 2.812) 3.524 10.318 ( -7.966 -1.229 0.664) 8.087 11.581 ( -10.900 5.566 -1.758) 12.364 11.922 ( -18.730 -5.696 2.349) 19.717 12.861 ( 6.660 -1.143 -4.865) 8.326 13.748 ( 6.828 -0.778 -2.490) 7.310 13.844 ( -2.247 3.380 0.882) 4.154 14.198 ( 6.981 -0.943 4.082) 8.141 16.303 ( -1.737 -0.341 -5.795) 6.059 16.822 ( -3.815 -1.716 -4.847) 6.402 17.323 ( -18.600 -3.859 5.937) 19.903 18.031 ( -16.153 -1.712 11.558) 19.936 20.266 ( 21.503 4.491 -4.964) 22.521 22.617 ( 0.980 0.026 -4.599) 4.702 ======================= Grid point 623 (300/336) ======================= q-point: (-0.09 -0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 336 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -11.851 -0.000 7.262) 13.899 1.893 ( -17.611 -0.000 13.714) 22.321 2.621 ( -6.946 -0.000 9.083) 11.435 2.933 ( -8.605 -0.000 13.134) 15.702 4.196 ( -3.329 -0.000 -14.822) 15.191 4.256 ( 13.294 0.000 7.285) 15.159 5.075 ( 10.155 0.000 4.550) 11.128 5.283 ( 4.342 0.000 3.068) 5.317 5.321 ( 3.795 0.000 2.916) 4.786 6.340 ( -5.397 -0.000 3.000) 6.175 6.495 ( 4.381 0.000 -2.777) 5.187 6.602 ( 3.737 0.000 -11.356) 11.955 6.695 ( -4.590 -0.000 -0.185) 4.594 6.913 ( 21.138 0.000 5.953) 21.960 7.064 ( 7.654 0.000 -4.971) 9.127 7.575 ( 7.626 0.000 0.410) 7.637 8.025 ( 9.914 0.000 5.891) 11.532 8.221 ( -4.808 -0.000 -4.598) 6.652 8.318 ( -12.611 -0.000 -3.788) 13.167 8.617 ( 0.966 0.000 -1.650) 1.912 8.938 ( 9.418 0.000 13.148) 16.173 9.354 ( 0.756 0.000 -5.109) 5.165 9.904 ( 2.980 0.000 2.354) 3.797 10.129 ( -14.267 -0.000 -3.161) 14.613 11.417 ( -11.252 -0.000 -3.701) 11.845 11.580 ( -17.815 -0.000 0.633) 17.826 12.946 ( 6.854 0.000 -3.833) 7.853 13.816 ( -3.011 -0.000 0.790) 3.113 13.819 ( 4.027 0.000 -2.051) 4.519 14.382 ( 10.897 0.000 6.262) 12.568 16.278 ( 2.918 0.000 -4.083) 5.018 16.754 ( -0.513 -0.000 -1.008) 1.131 17.026 ( -18.837 -0.000 3.424) 19.146 17.774 ( -20.740 -0.000 6.319) 21.681 20.608 ( 19.643 0.000 -2.348) 19.782 22.603 ( 0.407 0.000 -3.666) 3.688 ======================= Grid point 624 (301/336) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 2.216 ( -0.000 -0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.416 ( -0.000 -0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.456 ( -0.000 -0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.818 ( 0.000 0.000 0.000) 0.000 7.039 ( -0.000 -0.000 -0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.766 ( -0.000 -0.000 0.000) 0.000 7.884 ( -0.000 -0.000 0.000) 0.000 7.928 ( -0.000 -0.000 0.000) 0.000 8.516 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 9.190 ( 0.000 0.000 -0.000) 0.000 9.509 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.994 ( -0.000 -0.000 0.000) 0.000 11.044 ( -0.000 -0.000 0.000) 0.000 11.336 ( 0.000 0.000 0.000) 0.000 13.005 ( 0.000 0.000 0.000) 0.000 13.770 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 14.712 ( 0.000 0.000 0.000) 0.000 16.489 ( -0.000 -0.000 0.000) 0.000 16.523 ( 0.000 0.000 0.000) 0.000 17.087 ( -0.000 -0.000 0.000) 0.000 17.164 ( 0.000 0.000 0.000) 0.000 20.937 ( 0.000 0.000 0.000) 0.000 22.551 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 626 (302/336) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -1.570 5.377 -5.806) 8.068 2.001 ( 7.388 -14.286 -2.131) 16.224 2.427 ( 18.860 -3.376 1.833) 19.247 3.218 ( -2.889 1.487 -4.383) 5.456 3.878 ( 2.455 -3.145 5.035) 6.424 4.659 ( -7.557 1.343 -8.066) 11.134 5.298 ( -1.515 6.351 -2.415) 6.961 5.352 ( -4.621 1.262 -1.676) 5.075 5.464 ( 0.537 -6.231 -2.356) 6.683 6.125 ( 3.300 11.450 4.484) 12.732 6.491 ( -4.313 -9.039 6.701) 12.050 6.652 ( 0.082 2.608 -5.370) 5.970 6.712 ( -3.338 -0.317 -4.455) 5.576 7.006 ( -3.784 5.567 3.128) 7.423 7.316 ( -14.227 0.796 -2.933) 14.548 7.697 ( -3.252 3.505 -1.321) 4.960 7.967 ( 7.681 3.837 4.718) 9.797 8.011 ( 7.046 1.196 4.433) 8.410 8.384 ( -10.781 0.398 -6.657) 12.678 8.614 ( -2.023 -3.109 0.713) 3.777 9.223 ( 2.083 -3.067 -1.819) 4.129 9.442 ( -6.486 1.439 -5.758) 8.792 9.715 ( 16.253 -2.461 5.827) 17.441 9.981 ( -2.006 -1.225 0.155) 2.355 11.158 ( 6.828 -5.747 3.573) 9.614 11.425 ( 10.094 -4.435 -1.339) 11.107 12.957 ( -4.595 2.730 1.423) 5.531 13.780 ( 1.278 0.705 0.307) 1.491 13.829 ( -1.837 -0.780 0.836) 2.163 14.627 ( -6.746 4.289 -1.761) 8.185 16.332 ( -9.904 -3.655 0.962) 10.601 16.785 ( 17.306 -4.005 0.123) 17.764 16.887 ( -9.888 -2.808 -3.152) 10.751 17.492 ( 23.880 -2.514 -0.224) 24.013 20.811 ( -11.260 6.918 0.105) 13.216 22.543 ( -1.491 0.081 1.985) 2.484 ======================= Grid point 627 (303/336) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 1.031 8.892 -5.786) 10.658 2.287 ( 11.008 -14.058 -1.519) 17.919 2.816 ( 20.511 -8.282 -3.773) 22.439 3.110 ( -3.010 1.389 -6.386) 7.195 4.011 ( 3.544 -4.961 8.460) 10.428 4.434 ( -10.922 0.897 -10.969) 15.505 5.135 ( -10.146 3.055 -4.450) 11.492 5.263 ( -0.690 5.637 -2.819) 6.340 5.481 ( -0.795 -2.843 -6.068) 6.748 6.115 ( 4.387 11.332 7.666) 14.367 6.447 ( -8.693 6.375 -3.733) 11.408 6.549 ( -3.168 -5.927 4.762) 8.237 6.775 ( 0.492 -0.368 -3.827) 3.876 6.822 ( -8.436 5.967 1.548) 10.448 7.056 ( -12.162 0.440 -1.936) 12.323 7.613 ( -4.335 -0.985 -0.496) 4.473 8.043 ( 3.225 5.918 4.979) 8.379 8.107 ( 1.380 5.960 -0.238) 6.123 8.236 ( 1.567 -1.678 -1.379) 2.679 8.633 ( -1.638 -4.582 2.229) 5.352 9.177 ( -7.226 1.542 -12.664) 14.662 9.351 ( -0.707 -5.352 0.575) 5.429 9.912 ( -1.329 0.668 1.292) 1.970 10.085 ( 14.394 -3.184 4.482) 15.408 11.330 ( 7.797 -1.746 1.919) 8.218 11.740 ( 18.157 -12.095 -0.508) 21.823 12.844 ( -6.853 3.572 3.535) 8.499 13.783 ( -0.927 1.678 0.870) 2.105 13.807 ( -1.989 -0.343 0.905) 2.212 14.433 ( -8.844 4.715 -3.177) 10.514 16.264 ( -5.193 -5.577 1.709) 7.810 16.789 ( -3.546 -3.700 -1.342) 5.298 17.139 ( 18.169 -6.836 0.646) 19.424 17.916 ( 25.860 -4.404 -4.718) 26.653 20.471 ( -19.550 11.780 0.806) 22.839 22.532 ( -2.022 -0.285 3.666) 4.196 ======================= Grid point 628 (304/336) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.010 12.540 -2.886) 12.907 2.557 ( 8.915 -8.535 -0.974) 12.381 2.918 ( -0.584 -3.243 -18.325) 18.619 3.268 ( 15.228 -7.451 2.781) 17.180 4.107 ( -5.920 -0.234 -3.122) 6.697 4.237 ( -3.438 -5.128 1.338) 6.317 4.902 ( -11.149 3.708 -2.715) 12.059 5.185 ( -0.110 4.824 -4.311) 6.471 5.423 ( -1.248 1.957 -7.469) 7.821 6.128 ( 1.429 7.297 6.299) 9.745 6.222 ( -9.804 7.940 -0.125) 12.616 6.475 ( -8.566 9.543 -7.244) 14.728 6.558 ( -5.854 -0.073 4.546) 7.412 6.799 ( -5.940 -4.637 -2.800) 8.039 7.024 ( 4.181 -4.372 4.942) 7.812 7.583 ( -2.330 -4.235 0.280) 4.841 7.989 ( -3.172 1.223 -3.510) 4.886 8.080 ( 1.702 5.158 3.582) 6.506 8.335 ( 8.328 6.306 2.752) 10.803 8.653 ( -4.292 -4.873 1.751) 6.725 8.942 ( -8.180 0.848 -12.107) 14.636 9.418 ( 0.627 -5.448 0.760) 5.536 9.868 ( -2.502 0.601 -0.382) 2.601 10.336 ( 9.867 -2.049 2.578) 10.402 11.473 ( 8.223 0.390 0.619) 8.256 12.136 ( 17.676 -9.462 -3.881) 20.421 12.748 ( -5.678 0.589 7.994) 9.823 13.731 ( -6.042 -1.354 1.941) 6.489 13.760 ( -1.466 5.739 -0.643) 5.958 14.267 ( -5.133 1.345 -2.443) 5.842 16.282 ( -1.213 -6.122 1.865) 6.514 16.809 ( 0.521 -4.344 2.159) 4.879 17.482 ( 16.454 -5.686 0.234) 17.410 18.308 ( 21.968 -5.091 -10.962) 25.073 20.019 ( -22.241 13.253 4.022) 26.201 22.533 ( -1.474 -0.893 4.422) 4.746 ======================= Grid point 629 (305/336) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -1.450 12.607 0.200) 12.691 2.639 ( -0.321 -1.647 -9.114) 9.267 2.934 ( 7.468 -6.489 -8.338) 12.939 3.541 ( 8.557 -4.893 2.616) 10.199 3.884 ( -10.960 0.368 -9.207) 14.319 4.329 ( 0.257 -4.945 5.851) 7.665 4.705 ( -7.671 3.046 -0.085) 8.254 5.115 ( -0.874 4.060 -3.742) 5.590 5.346 ( 0.741 3.397 -5.284) 6.325 5.958 ( -9.019 9.391 0.656) 13.037 6.112 ( -3.682 2.094 4.403) 6.110 6.298 ( -4.656 0.269 -3.922) 6.094 6.449 ( -2.070 6.237 -5.283) 8.432 6.785 ( -2.543 -4.564 4.316) 6.776 7.197 ( 6.542 -5.237 4.871) 9.692 7.613 ( -0.128 -4.526 0.940) 4.624 7.931 ( -0.797 0.308 -3.082) 3.199 8.080 ( 0.987 3.934 3.359) 5.266 8.377 ( 5.048 10.707 -0.919) 11.873 8.559 ( -10.665 -6.065 -3.975) 12.897 8.834 ( -0.457 -0.938 -2.375) 2.594 9.466 ( -0.561 -3.740 0.645) 3.837 9.829 ( -0.948 0.728 -0.944) 1.523 10.468 ( 4.075 -1.280 0.082) 4.273 11.584 ( 5.787 0.881 0.138) 5.855 12.370 ( 9.688 -0.414 -7.489) 12.252 12.794 ( 0.948 -5.972 10.881) 12.448 13.621 ( -7.924 1.156 0.188) 8.010 13.683 ( -1.519 4.000 0.345) 4.293 14.212 ( -1.121 -0.828 -0.832) 1.623 16.343 ( 0.731 -4.811 1.072) 4.983 16.897 ( 2.131 -4.105 4.909) 6.745 17.766 ( 13.781 -3.043 -0.360) 14.117 18.531 ( 10.003 -3.549 -17.072) 20.102 19.626 ( -15.894 10.287 9.455) 21.162 22.552 ( -0.603 -1.079 3.654) 3.857 ======================= Grid point 630 (306/336) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -1.506 5.657 0.637) 5.889 2.586 ( -0.400 -0.689 -5.543) 5.600 3.061 ( 4.407 -2.680 -1.828) 5.472 3.659 ( 0.426 1.700 5.252) 5.537 3.705 ( -3.559 -2.748 -7.797) 9.000 4.380 ( -0.450 -1.964 1.684) 2.626 4.606 ( -2.545 1.187 0.589) 2.870 5.042 ( -1.246 2.325 -1.702) 3.140 5.330 ( 1.515 1.031 -1.512) 2.376 5.805 ( -2.837 3.389 0.927) 4.516 6.066 ( -1.723 0.747 0.976) 2.117 6.221 ( -3.801 -1.491 -0.716) 4.145 6.365 ( 0.942 3.238 -3.657) 4.974 6.815 ( -0.602 -1.535 2.567) 3.051 7.352 ( 3.732 -2.852 2.390) 5.270 7.650 ( 0.077 -1.409 0.598) 1.533 7.917 ( 0.430 -0.183 -0.839) 0.960 8.080 ( 0.369 1.460 1.195) 1.923 8.286 ( -1.959 4.651 -3.461) 6.119 8.488 ( -2.165 -2.037 -0.365) 2.995 8.843 ( 0.340 -0.513 0.055) 0.618 9.482 ( -0.547 -1.275 0.280) 1.416 9.812 ( -0.062 0.306 -0.497) 0.587 10.511 ( 0.898 -0.417 -0.355) 1.052 11.639 ( 1.897 0.460 -0.040) 1.952 12.423 ( 2.616 0.804 -2.613) 3.784 12.935 ( 2.541 -3.491 4.100) 5.954 13.505 ( -3.940 1.179 -0.228) 4.119 13.641 ( -0.828 1.232 0.295) 1.513 14.210 ( -0.056 -0.490 -0.147) 0.515 16.391 ( 0.543 -1.814 0.257) 1.911 16.983 ( 1.176 -1.902 2.923) 3.680 17.965 ( 7.575 -0.868 0.290) 7.630 18.506 ( -1.631 -0.531 -9.868) 10.016 19.460 ( -3.885 3.346 5.637) 7.620 22.570 ( -0.108 -0.488 1.418) 1.504 ======================= Grid point 637 (307/336) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 2.794 0.000 -2.018) 3.447 2.086 ( 15.570 0.000 -5.546) 16.528 2.740 ( 20.466 0.000 -2.540) 20.623 3.126 ( -4.000 -0.000 -6.984) 8.048 3.960 ( 4.033 0.000 8.745) 9.631 4.445 ( -11.519 -0.000 -11.783) 16.479 5.161 ( -11.052 -0.000 -4.181) 11.816 5.359 ( -0.678 -0.000 -3.721) 3.782 5.406 ( 0.580 0.000 -5.443) 5.474 6.308 ( 5.801 0.000 8.100) 9.963 6.398 ( -6.659 -0.000 9.486) 11.590 6.533 ( -7.039 -0.000 -8.708) 11.197 6.720 ( 4.515 0.000 -2.557) 5.189 6.976 ( -6.638 -0.000 3.927) 7.713 7.014 ( -19.416 -0.000 -4.658) 19.967 7.597 ( -7.204 -0.000 -2.286) 7.558 8.128 ( 4.388 0.000 5.268) 6.856 8.148 ( -9.125 -0.000 -6.579) 11.249 8.224 ( 11.027 0.000 5.549) 12.344 8.580 ( -1.420 -0.000 1.961) 2.421 9.194 ( -6.096 -0.000 -12.475) 13.884 9.296 ( -1.616 -0.000 0.370) 1.657 9.926 ( -3.401 -0.000 0.038) 3.402 10.041 ( 17.449 0.000 5.824) 18.395 11.330 ( 12.009 0.000 5.115) 13.053 11.606 ( 17.138 0.000 -1.834) 17.236 12.881 ( -7.670 -0.000 2.862) 8.187 13.785 ( -4.129 -0.000 1.312) 4.333 13.818 ( 2.361 0.000 0.606) 2.437 14.479 ( -11.119 -0.000 -3.631) 11.697 16.210 ( -4.898 -0.000 2.926) 5.706 16.754 ( -3.338 -0.000 -1.039) 3.496 17.073 ( 20.587 0.000 -1.368) 20.632 17.873 ( 25.807 0.000 -3.978) 26.112 20.584 ( -20.614 -0.000 0.421) 20.618 22.529 ( -2.337 -0.000 3.812) 4.471 ======================= Grid point 638 (308/336) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 3.174 11.360 1.859) 11.941 2.369 ( 15.370 -9.591 -5.050) 18.808 2.872 ( -0.043 -1.383 -18.786) 18.837 3.176 ( 13.785 -2.259 3.064) 14.300 4.091 ( 2.600 -1.209 8.647) 9.110 4.179 ( -11.379 -0.972 -10.158) 15.285 4.941 ( -12.476 0.804 -3.075) 12.875 5.280 ( -0.519 4.866 -6.236) 7.927 5.394 ( -0.425 -3.621 -8.731) 9.462 6.283 ( -5.281 7.718 10.233) 13.862 6.344 ( -7.951 3.041 -0.261) 8.516 6.522 ( 3.536 -2.132 2.552) 4.854 6.610 ( -17.077 1.624 -6.782) 18.445 6.778 ( -0.807 4.813 -1.020) 4.986 6.926 ( -2.303 -6.354 3.466) 7.596 7.496 ( -4.855 -3.480 -1.608) 6.186 7.994 ( -4.015 -0.091 -6.211) 7.396 8.184 ( 1.370 4.394 5.414) 7.106 8.416 ( 7.580 1.143 5.336) 9.340 8.595 ( 0.394 -0.821 2.637) 2.790 8.942 ( -11.559 -0.487 -13.893) 18.079 9.346 ( 2.921 -1.937 1.028) 3.652 9.874 ( -2.659 0.153 -0.321) 2.683 10.302 ( 10.754 -1.214 2.435) 11.093 11.531 ( 11.647 4.160 3.320) 12.806 11.949 ( 19.914 -7.989 -0.776) 21.470 12.766 ( -8.312 0.810 4.927) 9.696 13.710 ( -6.481 -0.592 1.360) 6.649 13.848 ( 1.956 2.816 0.468) 3.461 14.276 ( -9.598 -0.019 -3.767) 10.311 16.203 ( -0.308 -2.143 4.519) 5.011 16.749 ( 0.672 -1.744 2.506) 3.126 17.410 ( 21.149 -1.985 -3.033) 21.457 18.237 ( 22.124 -2.111 -9.392) 24.128 20.193 ( -24.890 4.865 2.639) 25.498 22.522 ( -1.878 -0.307 4.979) 5.330 ======================= Grid point 639 (309/336) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -2.155 15.766 4.331) 16.491 2.605 ( 5.840 -2.923 -7.476) 9.927 2.793 ( 6.006 -7.400 -15.634) 18.310 3.445 ( 11.256 -4.258 2.628) 12.318 3.907 ( -10.417 1.548 -8.646) 13.626 4.236 ( 0.963 -4.211 9.032) 10.012 4.732 ( -10.710 0.250 -0.711) 10.737 5.193 ( -0.211 4.331 -7.072) 8.296 5.351 ( -0.563 -2.298 -10.732) 10.990 6.115 ( -13.721 6.636 0.540) 15.251 6.197 ( -6.938 5.841 8.667) 12.544 6.288 ( -10.589 -1.740 -3.529) 11.297 6.584 ( 0.827 8.063 -6.613) 10.460 6.740 ( 2.962 0.118 6.277) 6.942 7.067 ( 4.744 -8.970 4.403) 11.061 7.493 ( -0.822 -6.361 -0.403) 6.427 7.937 ( 0.677 0.316 -5.054) 5.109 8.171 ( -1.318 4.782 5.260) 7.230 8.480 ( -5.446 -1.488 0.404) 5.660 8.574 ( 2.230 8.538 -2.065) 9.063 8.770 ( -3.109 -5.236 -5.011) 7.886 9.415 ( 2.426 -1.806 1.103) 3.219 9.837 ( -1.324 0.231 -0.750) 1.539 10.442 ( 4.950 -1.315 -0.458) 5.142 11.664 ( 9.237 6.699 1.640) 11.527 12.300 ( 14.130 -6.839 -3.860) 16.166 12.693 ( -5.972 -3.445 9.131) 11.441 13.608 ( -7.494 -0.834 0.717) 7.575 13.815 ( 0.079 7.431 -0.319) 7.439 14.169 ( -3.781 -3.408 -1.323) 5.259 16.278 ( 2.896 -2.107 5.287) 6.385 16.823 ( 2.152 -3.249 5.585) 6.810 17.729 ( 19.321 -1.032 -4.677) 19.906 18.463 ( 11.364 -3.174 -16.309) 20.129 19.787 ( -21.136 6.346 8.021) 23.481 22.536 ( -0.631 -0.562 4.827) 4.901 ======================= Grid point 640 (310/336) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -6.855 14.246 3.703) 16.237 2.586 ( 2.989 0.841 -9.294) 9.799 2.969 ( 8.516 -7.379 -4.511) 12.138 3.616 ( 2.787 -4.501 -1.028) 5.393 3.726 ( -3.408 3.575 -0.325) 4.950 4.318 ( -0.920 -3.838 6.101) 7.266 4.601 ( -6.630 -1.642 1.507) 6.995 5.092 ( -2.624 3.080 -6.799) 7.912 5.310 ( 0.382 -2.817 -10.045) 10.439 5.858 ( -9.774 2.211 -2.844) 10.417 6.105 ( -5.005 2.649 6.160) 8.367 6.194 ( -4.241 -1.425 4.149) 6.102 6.465 ( -0.436 7.573 -4.660) 8.903 6.840 ( 6.095 3.675 3.595) 7.974 7.252 ( 4.417 -8.194 3.173) 9.834 7.561 ( 0.849 -6.106 0.439) 6.180 7.929 ( 2.352 1.032 -4.701) 5.357 8.118 ( -5.056 1.298 3.213) 6.129 8.307 ( -7.891 1.581 -4.128) 9.045 8.576 ( 4.309 6.707 2.080) 8.238 8.788 ( 0.045 -4.043 -1.688) 4.381 9.470 ( 2.480 -0.237 1.215) 2.772 9.816 ( -0.602 0.142 -0.678) 0.918 10.498 ( 1.774 -0.889 -1.015) 2.229 11.719 ( 5.260 7.664 0.773) 9.327 12.426 ( 1.618 -0.757 -3.326) 3.775 12.779 ( -0.822 -11.177 7.696) 13.595 13.515 ( -3.951 0.027 -0.272) 3.960 13.740 ( 0.612 7.927 -0.407) 7.961 14.169 ( -1.064 -3.750 0.210) 3.903 16.378 ( 3.887 0.312 5.301) 6.581 16.928 ( 1.788 -3.623 5.702) 6.989 17.972 ( 13.776 1.370 -5.557) 14.917 18.465 ( -0.279 -3.365 -15.724) 16.082 19.533 ( -11.449 3.941 9.287) 15.260 22.564 ( 0.346 -0.228 3.113) 3.140 ======================= Grid point 641 (311/336) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -4.498 6.775 1.731) 8.314 2.611 ( 4.260 2.013 1.611) 4.979 3.075 ( 0.690 -1.218 -0.099) 1.403 3.611 ( -0.666 -3.672 -4.831) 6.104 3.763 ( 5.009 3.857 8.352) 10.475 4.369 ( 0.138 -3.026 2.801) 4.126 4.565 ( -2.185 -3.095 1.803) 4.196 5.004 ( -1.859 -1.667 -4.619) 5.251 5.278 ( -1.839 -3.808 -7.703) 8.788 5.742 ( -2.396 -2.990 -3.941) 5.497 6.069 ( -1.857 0.309 5.048) 5.388 6.229 ( 2.428 -1.413 7.204) 7.732 6.377 ( -0.855 5.736 -1.168) 5.916 6.895 ( 5.665 6.468 -0.798) 8.634 7.359 ( -0.721 -2.812 0.651) 2.975 7.602 ( -1.303 -4.715 -1.891) 5.244 7.929 ( 1.966 0.590 -4.929) 5.339 8.046 ( -6.085 -4.178 1.669) 7.568 8.217 ( -1.280 1.413 2.435) 3.092 8.606 ( 5.926 7.145 3.594) 9.954 8.806 ( -0.754 -3.387 -2.242) 4.131 9.515 ( 3.354 1.927 0.832) 3.957 9.805 ( -0.639 -0.375 0.125) 0.751 10.513 ( 0.071 -0.106 -0.279) 0.307 11.705 ( 1.428 7.351 0.751) 7.526 12.400 ( -4.633 -1.528 1.852) 5.218 12.873 ( -3.631 -9.265 0.706) 9.976 13.496 ( 2.273 0.418 -0.837) 2.457 13.695 ( 2.732 6.050 -0.942) 6.705 14.188 ( -0.882 -2.695 0.597) 2.898 16.446 ( 2.975 3.999 4.985) 7.049 16.990 ( -0.093 -1.261 0.994) 1.608 18.008 ( -2.267 3.669 -5.899) 7.308 18.474 ( 4.913 -4.001 -0.256) 6.341 19.420 ( -5.144 -0.796 0.705) 5.252 22.581 ( 0.586 0.631 0.410) 0.954 ======================= Grid point 642 (312/336) ======================= q-point: (-0.45 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 1.173 -1.705 1.931) 2.831 2.683 ( 3.227 3.277 8.014) 9.240 3.031 ( -4.832 4.096 5.371) 8.306 3.588 ( -3.998 -0.519 -3.199) 5.146 3.908 ( 10.290 3.034 10.181) 14.790 4.393 ( -0.286 1.209 -0.342) 1.289 4.615 ( 3.553 -6.187 -0.893) 7.190 5.026 ( 1.358 -6.162 -0.749) 6.354 5.243 ( -2.825 -5.777 -2.920) 7.063 5.798 ( 5.499 -7.442 -2.057) 9.479 6.098 ( 1.320 -0.902 3.920) 4.234 6.306 ( -4.277 0.663 2.431) 4.964 6.365 ( 7.926 -0.527 4.314) 9.040 6.900 ( 4.889 7.482 -2.639) 9.319 7.274 ( -6.852 3.019 -3.042) 8.082 7.617 ( -0.800 -3.915 -1.988) 4.463 7.920 ( 1.256 -0.854 -5.268) 5.483 8.016 ( -4.865 -4.869 1.214) 6.989 8.240 ( -0.142 -1.694 4.458) 4.771 8.692 ( 9.703 7.452 5.242) 13.310 8.806 ( -1.281 -3.391 -0.449) 3.653 9.545 ( 3.134 4.165 0.094) 5.214 9.810 ( 0.094 -1.246 0.937) 1.562 10.488 ( -2.950 0.918 -0.661) 3.159 11.640 ( -1.998 6.750 1.172) 7.136 12.342 ( -8.165 -2.660 6.765) 10.932 12.845 ( -3.616 -1.910 -6.430) 7.620 13.555 ( 3.658 -2.442 -0.146) 4.401 13.709 ( 5.903 3.848 -2.053) 7.340 14.198 ( -0.939 -2.108 0.797) 2.441 16.457 ( 1.765 7.284 3.793) 8.399 16.961 ( -1.361 2.408 -2.789) 3.929 17.844 ( -8.111 5.157 -3.231) 10.140 18.573 ( -4.764 0.276 13.425) 14.248 19.431 ( 6.348 -9.698 -9.266) 14.839 22.575 ( 0.537 1.342 -2.143) 2.585 ======================= Grid point 643 (313/336) ======================= q-point: (-0.36 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 4.513 -4.703 4.741) 8.060 2.688 ( -2.956 6.295 2.267) 7.315 2.985 ( -1.144 3.934 13.664) 14.265 3.418 ( -11.993 7.016 -1.543) 13.980 4.118 ( 9.157 1.360 7.316) 11.799 4.335 ( -0.064 4.401 -3.122) 5.396 4.792 ( 9.492 -8.155 0.834) 12.542 5.103 ( 0.879 -4.339 1.374) 4.635 5.300 ( 0.590 -9.976 2.826) 10.385 6.000 ( 6.410 -8.425 2.730) 10.933 6.136 ( 2.707 0.693 -3.503) 4.481 6.302 ( -0.424 -8.291 5.569) 9.997 6.535 ( 9.938 -1.726 -0.884) 10.125 6.901 ( 4.404 6.081 1.394) 7.637 7.103 ( -6.654 4.096 -4.153) 8.848 7.615 ( -0.720 -1.245 -1.877) 2.365 7.932 ( 0.846 -4.094 -4.501) 6.143 7.990 ( -4.784 -5.773 -0.713) 7.531 8.264 ( -0.675 0.092 3.393) 3.461 8.743 ( 2.170 3.773 -2.960) 5.264 8.920 ( 8.507 -0.640 11.831) 14.586 9.529 ( 0.798 5.820 -0.248) 5.880 9.848 ( 2.204 -1.644 0.540) 2.802 10.373 ( -8.876 1.896 -3.089) 9.587 11.535 ( -3.904 6.806 1.647) 8.017 12.248 ( -11.577 2.173 8.678) 14.631 12.758 ( 0.799 1.202 -10.415) 10.514 13.644 ( 2.243 -5.286 0.791) 5.796 13.775 ( 7.109 2.529 -2.655) 7.999 14.221 ( 0.463 -3.406 1.394) 3.709 16.425 ( 2.267 8.961 1.720) 9.402 16.900 ( 0.316 5.075 -0.713) 5.134 17.616 ( -10.177 8.311 -3.693) 13.649 18.411 ( -20.373 5.428 12.045) 24.282 19.719 ( 17.288 -18.060 -6.666) 25.874 22.554 ( 0.777 1.299 -3.501) 3.814 ======================= Grid point 644 (314/336) ======================= q-point: (-0.27 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 6.540 -2.705 7.359) 10.210 2.522 ( -6.614 11.048 -0.057) 12.876 3.026 ( -12.228 10.898 10.751) 19.592 3.098 ( -4.767 2.383 -0.333) 5.339 4.119 ( -2.204 5.734 -6.852) 9.202 4.424 ( 9.163 0.072 8.760) 12.677 5.044 ( 9.601 -6.505 3.819) 12.210 5.165 ( 1.394 -5.070 1.425) 5.448 5.436 ( 1.629 -8.417 4.449) 9.659 5.992 ( -6.230 -0.478 -2.296) 6.657 6.300 ( 8.583 -8.774 1.940) 12.426 6.503 ( 7.300 -12.134 1.121) 14.205 6.679 ( 8.832 -0.129 -4.168) 9.766 6.918 ( -3.538 6.693 0.646) 7.599 7.016 ( 6.378 -2.316 3.057) 7.442 7.605 ( -0.758 -2.136 -2.465) 3.349 7.953 ( -3.738 -4.761 -3.833) 7.164 7.954 ( -3.706 -7.947 -2.833) 9.215 8.283 ( 2.958 2.883 4.355) 6.002 8.716 ( 1.414 3.939 -1.922) 4.606 9.151 ( 8.802 -0.864 12.401) 15.232 9.468 ( -0.585 6.345 -0.518) 6.393 9.902 ( 2.458 -0.922 -1.117) 2.853 10.135 ( -14.136 2.364 -4.905) 15.149 11.423 ( -2.333 7.897 1.542) 8.377 11.991 ( -15.080 13.361 2.745) 20.334 12.768 ( 4.699 -3.837 -5.861) 8.435 13.719 ( 0.762 -4.350 0.427) 4.437 13.836 ( 4.502 2.091 -2.086) 5.384 14.315 ( 3.757 -7.428 2.113) 8.588 16.405 ( 5.549 9.127 0.711) 10.705 16.886 ( 4.080 6.353 2.743) 8.033 17.313 ( -12.688 11.324 -4.675) 17.638 18.027 ( -25.393 7.051 6.043) 27.038 20.162 ( 16.746 -20.522 -2.105) 26.571 22.540 ( 1.182 0.576 -3.281) 3.535 ======================= Grid point 645 (315/336) ======================= q-point: (-0.18 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 8.538 0.494 7.096) 11.113 2.305 ( -4.270 15.497 -0.192) 16.076 2.577 ( -20.848 13.743 -0.883) 24.986 3.174 ( 2.108 -2.675 4.427) 5.586 3.979 ( -2.093 6.917 -4.883) 8.722 4.621 ( 6.828 -2.285 7.047) 10.075 5.170 ( -0.945 -6.097 1.598) 6.373 5.317 ( 7.717 -3.565 2.177) 8.775 5.534 ( 0.891 -1.658 3.201) 3.713 5.906 ( -5.030 -7.607 -3.918) 9.925 6.531 ( 6.727 -9.338 4.309) 12.289 6.631 ( 5.256 2.504 -5.163) 7.782 6.772 ( -5.444 6.186 1.955) 8.469 6.843 ( 5.838 -9.628 -1.627) 11.376 7.257 ( 12.039 -5.903 5.371) 14.444 7.591 ( -3.940 -6.267 -3.798) 8.320 7.890 ( -6.192 -5.968 -2.572) 8.976 7.950 ( -1.739 -2.771 -2.869) 4.351 8.375 ( 5.854 -0.497 4.458) 7.375 8.701 ( 2.997 5.465 0.280) 6.239 9.304 ( 1.723 3.643 6.136) 7.341 9.421 ( 0.961 0.842 0.381) 1.334 9.795 ( -10.581 5.419 -4.782) 12.813 9.987 ( 0.046 -1.507 -0.314) 1.540 11.335 ( 1.594 11.197 0.210) 11.311 11.607 ( -14.138 15.622 -0.400) 21.074 12.869 ( 3.810 -6.085 -1.956) 7.441 13.753 ( -0.344 -2.225 -0.028) 2.251 13.856 ( 1.847 1.937 -1.080) 2.886 14.484 ( 4.265 -10.321 1.536) 11.272 16.454 ( 10.223 8.605 1.068) 13.405 16.903 ( -7.619 7.364 0.373) 10.602 17.008 ( 2.886 10.652 -0.202) 11.038 17.581 ( -23.646 6.812 1.092) 24.632 20.565 ( 10.139 -18.867 -0.412) 21.423 22.541 ( 1.053 -0.150 -1.889) 2.167 ======================= Grid point 646 (316/336) ======================= q-point: (-0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.000 2.332 0.000) 2.332 2.099 ( -0.000 18.909 0.000) 18.909 2.265 ( -0.000 5.195 0.000) 5.195 3.233 ( 0.000 -2.830 0.000) 2.830 3.885 ( 0.000 5.787 0.000) 5.787 4.730 ( 0.000 -2.673 0.000) 2.673 5.226 ( 0.000 -7.644 0.000) 7.644 5.411 ( 0.000 -0.907 0.000) 0.907 5.523 ( -0.000 5.709 -0.000) 5.709 5.960 ( 0.000 -13.836 0.000) 13.836 6.611 ( 0.000 11.245 -0.000) 11.245 6.644 ( -0.000 0.372 0.000) 0.372 6.729 ( 0.000 -8.469 0.000) 8.469 6.968 ( -0.000 -7.272 -0.000) 7.272 7.459 ( -0.000 -0.370 0.000) 0.370 7.597 ( 0.000 -13.966 0.000) 13.966 7.872 ( 0.000 -3.518 0.000) 3.518 7.929 ( 0.000 0.165 0.000) 0.165 8.473 ( 0.000 -3.691 0.000) 3.691 8.689 ( 0.000 5.632 0.000) 5.632 9.262 ( -0.000 6.762 0.000) 6.762 9.434 ( 0.000 -3.662 0.000) 3.662 9.639 ( 0.000 6.492 0.000) 6.492 10.003 ( 0.000 -0.185 0.000) 0.185 11.213 ( -0.000 17.614 0.000) 17.614 11.379 ( 0.000 4.398 0.000) 4.398 12.952 ( 0.000 -5.311 0.000) 5.311 13.762 ( 0.000 -0.986 0.000) 0.986 13.851 ( 0.000 1.407 0.000) 1.407 14.622 ( 0.000 -9.029 0.000) 9.029 16.574 ( -0.000 5.131 0.000) 5.131 16.592 ( 0.000 10.377 0.000) 10.377 17.133 ( -0.000 4.969 0.000) 4.969 17.217 ( 0.000 5.461 0.000) 5.461 20.804 ( 0.000 -13.884 0.000) 13.884 22.547 ( 0.000 -0.324 0.000) 0.324 ======================= Grid point 650 (317/336) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -5.034 -0.000 9.153) 10.446 2.543 ( 16.524 0.000 -8.245) 18.467 2.723 ( -0.312 -0.000 -20.254) 20.257 3.404 ( 11.912 0.000 2.820) 12.241 3.925 ( -10.030 -0.000 -8.725) 13.294 4.194 ( 1.677 0.000 10.062) 10.201 4.732 ( -11.992 -0.000 -0.867) 12.023 5.260 ( 0.574 0.000 -8.355) 8.375 5.299 ( -1.487 -0.000 -11.580) 11.675 6.207 ( -17.759 -0.000 0.851) 17.779 6.232 ( -7.000 -0.000 2.150) 7.323 6.267 ( -13.413 -0.000 3.136) 13.775 6.677 ( 8.386 0.000 -4.752) 9.638 6.803 ( -1.990 -0.000 6.613) 6.906 6.908 ( 5.673 0.000 1.394) 5.842 7.428 ( -0.391 -0.000 0.160) 0.423 7.940 ( 1.078 0.000 -4.936) 5.052 8.220 ( -3.776 -0.000 4.500) 5.875 8.480 ( -1.025 -0.000 4.346) 4.465 8.666 ( -10.568 -0.000 -12.470) 16.346 8.696 ( 6.720 0.000 2.758) 7.264 9.397 ( 3.509 0.000 0.836) 3.607 9.839 ( -1.415 -0.000 -0.645) 1.555 10.428 ( 5.363 0.000 -0.644) 5.401 11.756 ( 10.625 0.000 2.262) 10.863 12.202 ( 15.403 0.000 -0.317) 15.407 12.665 ( -8.404 -0.000 6.226) 10.459 13.601 ( -7.054 -0.000 0.525) 7.074 13.902 ( 1.905 0.000 0.589) 1.994 14.121 ( -6.232 -0.000 -2.218) 6.615 16.260 ( 3.808 0.000 7.048) 8.011 16.791 ( 2.004 0.000 5.587) 5.936 17.721 ( 21.736 0.000 -6.715) 22.750 18.431 ( 11.378 0.000 -15.429) 19.170 19.848 ( -22.826 -0.000 7.375) 23.987 22.531 ( -0.637 -0.000 5.266) 5.305 ======================= Grid point 651 (318/336) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -12.279 8.831 7.520) 16.891 2.628 ( 6.069 3.924 -11.998) 14.007 2.799 ( 12.356 -9.222 -7.993) 17.367 3.549 ( 2.437 -1.989 -0.750) 3.234 3.787 ( -0.823 2.155 0.694) 2.409 4.262 ( -1.174 -1.728 8.272) 8.532 4.564 ( -9.528 -1.515 1.561) 9.773 5.154 ( -3.674 3.199 -11.426) 12.421 5.246 ( 0.373 -3.410 -11.058) 11.578 5.888 ( -13.871 0.874 -6.738) 15.445 6.141 ( -8.772 1.163 8.653) 12.376 6.169 ( -4.963 -1.098 7.292) 8.889 6.632 ( 0.632 8.268 -5.661) 10.040 6.915 ( 9.457 3.349 4.130) 10.849 7.065 ( 4.773 -9.549 1.866) 10.837 7.474 ( 2.547 -2.642 2.613) 4.505 7.945 ( 2.827 0.502 -5.160) 5.905 8.115 ( -10.903 -0.647 0.398) 10.929 8.406 ( -3.411 7.905 -0.464) 8.622 8.564 ( -2.156 -7.278 -0.686) 7.621 8.790 ( 4.999 2.823 0.530) 5.765 9.465 ( 4.023 -0.285 0.961) 4.146 9.818 ( -0.842 0.026 -0.732) 1.116 10.483 ( 2.450 -0.512 -1.385) 2.861 11.884 ( 8.396 7.537 0.816) 11.313 12.381 ( 3.510 -3.760 -1.727) 5.426 12.602 ( -6.507 -5.390 7.853) 11.535 13.514 ( -3.060 -0.043 -0.361) 3.082 13.889 ( 0.518 6.758 -0.008) 6.778 14.080 ( -1.694 -5.032 0.133) 5.311 16.391 ( 6.300 0.670 8.779) 10.827 16.869 ( 1.603 -2.007 6.587) 7.070 18.002 ( 19.335 1.245 -9.886) 21.752 18.406 ( -1.863 -2.112 -16.910) 17.143 19.589 ( -15.257 1.693 10.326) 18.501 22.561 ( 0.619 -0.052 4.117) 4.164 ======================= Grid point 652 (319/336) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -10.386 9.787 3.779) 14.763 2.667 ( 7.962 4.143 -0.939) 9.024 3.007 ( 7.606 -6.040 -3.192) 10.224 3.529 ( -3.638 -4.081 -3.242) 6.356 3.855 ( 7.420 5.330 8.512) 12.486 4.300 ( -1.547 -3.316 5.417) 6.537 4.488 ( -5.291 -4.676 3.768) 8.004 4.983 ( -6.448 -0.597 -10.992) 12.757 5.214 ( -0.025 -2.594 -9.951) 10.284 5.698 ( -4.958 -1.641 -6.690) 8.487 6.069 ( -5.491 -0.173 7.265) 9.108 6.194 ( -0.388 -1.716 10.013) 10.167 6.542 ( 2.411 10.122 -3.418) 10.952 7.025 ( 7.680 6.434 0.506) 10.031 7.230 ( 2.616 -9.662 1.273) 10.090 7.536 ( -0.587 -2.187 -0.056) 2.266 7.930 ( -2.923 -0.952 -3.026) 4.313 7.963 ( -5.457 -2.645 -3.134) 6.826 8.315 ( -0.184 7.395 3.295) 8.097 8.617 ( -0.164 -6.223 2.496) 6.707 8.820 ( 3.966 4.819 -0.812) 6.294 9.541 ( 4.806 0.669 0.894) 4.934 9.799 ( -1.196 -0.252 -0.342) 1.270 10.509 ( 1.097 -0.263 -0.616) 1.285 11.897 ( 4.498 12.188 0.817) 13.017 12.367 ( -6.218 -2.134 1.330) 6.708 12.649 ( -4.414 -12.857 3.757) 14.104 13.506 ( 2.551 0.472 -1.287) 2.896 13.829 ( 1.258 7.415 -0.641) 7.548 14.115 ( -0.817 -4.808 0.784) 4.939 16.530 ( 6.337 4.428 9.443) 12.204 16.944 ( 0.220 -3.157 3.890) 5.015 18.100 ( 1.428 6.079 -10.001) 11.790 18.367 ( 6.862 -6.922 -8.700) 13.064 19.421 ( -11.384 0.527 5.771) 12.775 22.592 ( 0.936 0.455 1.783) 2.064 ======================= Grid point 653 (320/336) ======================= q-point: (-0.55 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -1.147 6.334 2.738) 6.995 2.766 ( 6.735 5.580 6.604) 10.960 3.088 ( -0.073 1.700 3.521) 3.910 3.518 ( -2.126 -6.405 -3.036) 7.399 3.997 ( 9.897 6.317 10.479) 15.738 4.355 ( 0.378 -4.761 3.285) 5.796 4.508 ( -1.263 -4.997 1.698) 5.427 4.878 ( -3.152 -8.507 -7.213) 11.590 5.178 ( -0.410 -1.392 -6.017) 6.190 5.680 ( 3.241 -5.112 -5.141) 7.942 6.057 ( -2.581 -2.812 5.617) 6.791 6.279 ( 0.097 -1.646 8.440) 8.599 6.484 ( 4.268 9.993 -0.132) 10.867 7.050 ( 4.680 7.924 -1.895) 9.396 7.289 ( -5.102 -2.444 0.500) 5.679 7.515 ( -1.121 -4.993 -4.156) 6.592 7.894 ( -4.965 -5.843 1.501) 7.813 7.908 ( -1.154 -1.184 -7.422) 7.604 8.294 ( 1.481 5.447 5.388) 7.804 8.705 ( 1.571 -5.425 3.990) 6.915 8.837 ( 5.441 6.100 0.927) 8.227 9.607 ( 4.408 2.335 -0.005) 4.988 9.785 ( -1.177 -1.276 0.573) 1.828 10.504 ( -1.574 0.733 -0.919) 1.964 11.824 ( 0.123 12.357 1.851) 12.496 12.288 ( -8.070 -2.835 5.456) 10.145 12.718 ( -2.094 -10.700 -1.432) 10.997 13.547 ( 3.663 0.852 -1.671) 4.116 13.797 ( 3.357 5.102 -1.973) 6.418 14.142 ( -1.470 -3.659 0.734) 4.011 16.608 ( 4.040 8.525 7.946) 12.334 16.975 ( -0.131 -1.115 0.508) 1.232 17.954 ( -4.633 6.426 -3.765) 8.771 18.528 ( 4.529 -4.912 1.266) 6.800 19.291 ( -6.070 -4.943 -3.989) 8.786 22.599 ( 0.445 1.130 -0.800) 1.455 ======================= Grid point 654 (321/336) ======================= q-point: (-0.45 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 8.044 3.145 4.352) 9.672 2.816 ( 1.781 7.748 4.219) 9.000 3.065 ( -2.125 4.446 10.064) 11.206 3.485 ( -6.222 -0.510 -1.315) 6.380 4.166 ( 8.712 3.897 8.124) 12.533 4.382 ( -1.970 0.399 1.184) 2.333 4.609 ( 7.686 -10.396 -2.817) 13.232 4.962 ( 2.338 -11.778 0.047) 12.007 5.169 ( 0.172 -1.906 -0.220) 1.926 5.830 ( 9.258 -8.892 -1.860) 12.971 6.108 ( -0.114 -6.379 4.338) 7.715 6.258 ( -4.231 4.356 1.245) 6.199 6.536 ( 7.693 2.922 3.824) 9.074 7.023 ( 2.155 6.771 -0.424) 7.118 7.165 ( -7.249 2.070 -2.429) 7.921 7.540 ( -1.556 -6.130 -2.671) 6.866 7.854 ( -3.391 -4.156 -5.720) 7.841 7.885 ( -1.967 -4.546 -2.223) 5.429 8.309 ( 1.421 3.418 4.575) 5.885 8.772 ( 1.351 -0.141 0.380) 1.411 8.942 ( 9.103 2.559 9.091) 13.117 9.620 ( 0.723 3.665 -0.561) 3.777 9.807 ( 1.217 -2.593 0.392) 2.891 10.409 ( -7.502 2.016 -3.410) 8.484 11.707 ( -2.539 10.739 3.141) 11.473 12.246 ( -5.123 -1.055 8.736) 10.182 12.746 ( -0.037 -3.528 -6.490) 7.387 13.584 ( 2.243 -0.845 -0.564) 2.463 13.820 ( 5.320 2.019 -3.176) 6.516 14.150 ( -2.038 -3.803 0.735) 4.377 16.604 ( 2.499 9.743 3.915) 10.793 16.986 ( 2.224 3.785 2.976) 5.303 17.784 ( -5.254 9.372 -4.024) 11.473 18.494 ( -15.062 3.060 9.285) 17.956 19.375 ( 9.355 -17.694 -9.267) 22.056 22.579 ( 0.003 1.304 -2.540) 2.855 ======================= Grid point 655 (322/336) ======================= q-point: (-0.36 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 12.506 2.871 6.192) 14.247 2.720 ( -3.800 10.560 0.951) 11.263 3.087 ( 0.561 1.960 9.187) 9.411 3.284 ( -13.046 9.794 0.376) 16.318 4.203 ( -1.503 3.154 -3.976) 5.293 4.431 ( 6.530 0.250 6.576) 9.271 4.876 ( 12.052 -11.676 0.309) 16.783 5.083 ( 1.401 -4.239 0.332) 4.476 5.239 ( 0.670 -9.027 4.860) 10.274 6.031 ( -0.367 -1.291 4.875) 5.057 6.157 ( 3.330 -2.056 -4.771) 6.171 6.257 ( 5.556 -12.640 1.415) 13.880 6.669 ( 6.896 -0.654 1.236) 7.036 7.015 ( 2.259 2.761 4.236) 5.538 7.024 ( -4.646 3.832 -2.860) 6.667 7.532 ( -3.689 -5.590 -3.430) 7.524 7.798 ( -6.359 -6.858 -3.651) 10.039 7.901 ( 1.612 -2.432 -3.366) 4.455 8.329 ( 1.426 1.776 2.907) 3.693 8.787 ( 2.989 4.087 0.923) 5.147 9.146 ( 8.862 0.042 11.158) 14.249 9.569 ( -1.618 4.220 -0.416) 4.539 9.860 ( 1.757 -3.520 -1.264) 4.132 10.186 ( -13.176 3.090 -5.744) 14.702 11.598 ( -1.143 9.911 3.518) 10.579 12.198 ( -5.335 8.267 7.912) 12.625 12.723 ( 1.820 -0.904 -8.406) 8.648 13.639 ( 1.736 -3.695 0.654) 4.134 13.871 ( 4.540 1.187 -2.990) 5.564 14.175 ( -1.060 -6.919 1.037) 7.076 16.585 ( 5.039 9.483 1.817) 10.891 17.018 ( 4.929 7.589 6.396) 11.082 17.545 ( -7.240 13.082 -6.894) 16.465 18.166 ( -23.137 7.488 5.873) 25.018 19.732 ( 12.820 -24.657 -4.404) 28.138 22.552 ( 0.096 0.745 -2.802) 2.901 ======================= Grid point 656 (323/336) ======================= q-point: (-0.27 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 12.421 3.618 5.826) 14.189 2.547 ( -4.425 11.477 0.063) 12.300 2.910 ( -14.658 18.830 -1.272) 23.897 3.139 ( 0.794 -0.426 5.277) 5.353 4.103 ( -1.818 5.336 -4.187) 7.022 4.583 ( 5.642 -1.767 5.470) 8.055 5.097 ( -0.086 -1.147 1.287) 1.726 5.188 ( 9.843 -11.198 0.249) 14.911 5.367 ( -1.207 -11.822 3.424) 12.367 5.918 ( -5.117 6.183 -0.223) 8.029 6.319 ( 3.884 -12.768 0.998) 13.383 6.527 ( 10.401 -11.992 -1.163) 15.916 6.738 ( -0.103 -1.419 -0.078) 1.425 6.907 ( -2.222 6.150 -2.452) 6.983 7.134 ( 6.356 -5.261 7.054) 10.856 7.493 ( -3.892 -4.429 -4.707) 7.545 7.744 ( -6.337 -8.354 -2.438) 10.765 7.927 ( 1.454 -0.626 -1.745) 2.356 8.363 ( 1.719 -0.740 1.705) 2.532 8.811 ( 4.610 6.276 2.393) 8.146 9.322 ( 4.545 -0.409 7.582) 8.850 9.491 ( -2.125 4.835 -1.192) 5.415 9.892 ( -3.579 2.545 -4.626) 6.378 9.925 ( -6.526 -2.712 -1.489) 7.222 11.529 ( 1.597 9.412 2.378) 9.838 11.976 ( -7.494 21.664 1.598) 22.979 12.756 ( 2.624 -5.343 -3.536) 6.924 13.699 ( 0.706 -3.447 0.421) 3.544 13.895 ( 1.968 1.915 -1.560) 3.158 14.270 ( 0.988 -11.697 0.994) 11.781 16.625 ( 9.204 8.954 2.054) 13.004 17.054 ( 0.514 9.005 5.009) 10.318 17.263 ( -1.169 15.599 -5.673) 16.639 17.735 ( -22.355 9.331 1.593) 24.277 20.134 ( 8.303 -26.322 -1.222) 27.628 22.539 ( 0.334 -0.066 -1.737) 1.770 ======================= Grid point 657 (324/336) ======================= q-point: (-0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -0.000 2.971 0.000) 2.971 2.405 ( -0.000 9.341 -0.000) 9.341 2.539 ( 0.000 25.418 0.000) 25.418 3.178 ( 0.000 -2.475 0.000) 2.475 4.014 ( 0.000 7.039 0.000) 7.039 4.676 ( 0.000 -2.834 0.000) 2.834 5.112 ( 0.000 -3.804 0.000) 3.804 5.365 ( 0.000 -4.188 0.000) 4.188 5.480 ( 0.000 -13.322 0.000) 13.322 5.821 ( 0.000 2.611 0.000) 2.611 6.489 ( 0.000 -14.030 0.000) 14.030 6.682 ( 0.000 1.053 -0.000) 1.053 6.768 ( -0.000 -7.059 0.000) 7.059 6.818 ( 0.000 3.827 0.000) 3.827 7.329 ( 0.000 -12.966 0.000) 12.966 7.447 ( 0.000 -0.830 0.000) 0.830 7.756 ( 0.000 -8.236 0.000) 8.236 7.934 ( 0.000 0.252 0.000) 0.252 8.407 ( 0.000 -3.042 0.000) 3.042 8.809 ( 0.000 6.823 0.000) 6.823 9.384 ( 0.000 -1.730 0.000) 1.730 9.401 ( 0.000 7.176 0.000) 7.176 9.758 ( 0.000 5.943 0.000) 5.943 9.957 ( 0.000 -4.742 -0.000) 4.742 11.490 ( 0.000 7.005 0.000) 7.005 11.654 ( -0.000 27.423 -0.000) 27.423 12.830 ( 0.000 -6.959 0.000) 6.959 13.731 ( 0.000 -2.375 0.000) 2.375 13.886 ( 0.000 2.108 0.000) 2.108 14.407 ( 0.000 -13.138 0.000) 13.138 16.691 ( 0.000 6.578 0.000) 6.578 16.842 ( -0.000 15.360 -0.000) 15.360 17.278 ( -0.000 10.633 0.000) 10.633 17.356 ( 0.000 9.000 0.000) 9.000 20.440 ( 0.000 -24.163 0.000) 24.163 22.540 ( 0.000 -0.429 0.000) 0.429 ======================= Grid point 663 (325/336) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -13.461 -0.000 4.884) 14.320 2.736 ( 8.810 0.000 -0.099) 8.811 2.911 ( 12.352 0.000 -7.006) 14.201 3.488 ( -5.206 -0.000 -2.073) 5.604 3.917 ( 9.117 0.000 8.898) 12.739 4.267 ( -2.389 -0.000 6.256) 6.697 4.432 ( -7.326 -0.000 3.748) 8.230 4.978 ( -8.803 -0.000 -13.708) 16.291 5.189 ( 1.393 0.000 -9.414) 9.516 5.683 ( -5.796 -0.000 -7.799) 9.717 6.067 ( -6.830 -0.000 7.288) 9.988 6.176 ( -0.862 -0.000 11.422) 11.454 6.668 ( 2.747 0.000 -5.329) 5.995 7.094 ( 8.218 0.000 0.689) 8.246 7.104 ( 4.286 0.000 1.795) 4.647 7.514 ( 0.277 0.000 2.112) 2.130 7.909 ( -11.444 -0.000 -0.106) 11.444 7.950 ( 1.473 0.000 -7.065) 7.217 8.454 ( -2.831 -0.000 3.282) 4.334 8.483 ( 2.084 0.000 1.599) 2.627 8.876 ( 3.584 0.000 0.282) 3.595 9.545 ( 5.322 0.000 0.716) 5.370 9.797 ( -1.379 -0.000 -0.592) 1.500 10.506 ( 1.585 0.000 -0.692) 1.729 12.066 ( 8.911 0.000 -0.566) 8.929 12.321 ( -8.195 -0.000 2.238) 8.495 12.499 ( -6.652 -0.000 5.014) 8.330 13.511 ( 2.838 0.000 -1.393) 3.162 13.927 ( -0.745 -0.000 -0.391) 0.842 14.043 ( 0.498 0.000 0.834) 0.971 16.580 ( 8.376 0.000 11.696) 14.385 16.905 ( -0.428 -0.000 4.424) 4.445 18.219 ( -7.791 -0.000 -8.541) 11.561 18.239 ( 17.833 0.000 -14.627) 23.064 19.428 ( -13.404 -0.000 7.425) 15.323 22.597 ( 1.062 0.000 2.287) 2.521 ======================= Grid point 664 (326/336) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -4.086 4.035 3.064) 6.508 2.884 ( 9.298 6.076 7.950) 13.659 3.077 ( 8.100 -2.836 -1.500) 8.712 3.401 ( -5.857 -4.191 -1.162) 7.294 4.127 ( 11.547 6.326 11.249) 17.318 4.274 ( -1.042 -2.737 3.132) 4.288 4.405 ( -2.604 -5.436 6.494) 8.860 4.760 ( -8.689 -3.292 -12.291) 15.408 5.169 ( 2.351 -0.024 -6.944) 7.332 5.613 ( 1.598 -1.911 -7.242) 7.659 6.016 ( -4.620 -1.259 4.366) 6.480 6.260 ( 1.056 -0.466 12.333) 12.387 6.663 ( 4.216 7.068 -2.880) 8.719 7.161 ( 0.951 1.141 0.165) 1.495 7.199 ( 2.552 -2.638 0.737) 3.744 7.468 ( -4.241 -0.774 -4.422) 6.176 7.802 ( -5.159 -2.869 3.333) 6.779 7.900 ( -1.512 -0.189 -9.050) 9.178 8.399 ( -1.252 4.642 2.899) 5.615 8.603 ( 4.769 -4.527 6.002) 8.903 8.922 ( 3.686 2.495 1.336) 4.647 9.632 ( 5.092 0.502 -0.218) 5.122 9.767 ( -2.150 -0.515 0.001) 2.211 10.514 ( -0.545 0.310 -0.925) 1.117 12.072 ( -3.005 12.625 2.431) 13.204 12.239 ( -3.110 -2.889 2.985) 5.189 12.498 ( -1.910 -10.453 2.315) 10.875 13.563 ( 4.620 0.568 -2.287) 5.186 13.881 ( -1.277 3.134 -1.250) 3.608 14.077 ( 0.511 -2.570 0.392) 2.650 16.760 ( 6.715 6.899 11.521) 15.014 16.921 ( -0.446 -4.150 2.069) 4.659 18.066 ( -5.248 4.462 1.177) 6.988 18.423 ( 12.581 -4.668 -14.463) 19.729 19.239 ( -13.745 -1.092 1.729) 13.897 22.614 ( 0.378 0.443 -0.027) 0.583 ======================= Grid point 665 (327/336) ======================= q-point: (-0.55 0.27 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 8.020 4.685 3.229) 9.833 2.981 ( 5.516 9.624 5.499) 12.381 3.143 ( -1.248 3.537 7.833) 8.685 3.398 ( -1.866 -8.071 -1.254) 8.378 4.252 ( 3.820 3.841 6.235) 8.260 4.357 ( 1.382 -1.633 7.596) 7.892 4.463 ( 3.851 -3.671 -5.054) 7.339 4.722 ( 1.883 -12.627 0.562) 12.779 5.179 ( 3.358 1.709 -2.724) 4.649 5.686 ( 7.659 -6.038 -5.312) 11.106 5.998 ( -3.081 -4.351 2.351) 5.827 6.326 ( -0.977 2.087 7.457) 7.805 6.654 ( 4.606 8.442 2.547) 9.948 7.116 ( -5.849 0.273 2.952) 6.557 7.190 ( -1.776 2.988 -3.604) 5.007 7.422 ( -1.660 -5.449 -5.006) 7.584 7.789 ( -3.094 -2.538 -1.225) 4.185 7.819 ( -1.432 -2.575 -6.796) 7.407 8.364 ( -0.996 2.115 1.853) 2.983 8.768 ( 6.666 0.040 7.825) 10.280 8.987 ( 5.584 1.792 4.651) 7.485 9.666 ( 0.247 1.436 -1.430) 2.041 9.760 ( 0.180 -2.090 0.124) 2.102 10.443 ( -6.368 1.407 -3.430) 7.369 11.894 ( -7.817 7.731 4.874) 12.026 12.259 ( 2.792 3.842 5.699) 7.419 12.618 ( 2.884 -9.655 -1.321) 10.163 13.600 ( 2.693 1.874 -2.081) 3.885 13.839 ( -0.128 -0.124 -2.531) 2.537 14.096 ( -0.802 -1.721 -0.229) 1.913 16.771 ( 0.848 7.402 2.184) 7.765 17.032 ( 5.628 1.079 9.852) 11.397 17.953 ( -3.901 8.220 2.214) 9.364 18.510 ( -1.756 -1.453 -4.141) 4.727 19.100 ( -4.119 -10.605 -6.983) 13.349 22.600 ( -0.593 0.820 -1.842) 2.101 ======================= Grid point 666 (328/336) ======================= q-point: (-0.45 0.27 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 14.643 4.683 3.956) 15.874 2.919 ( -3.219 10.342 1.733) 10.969 3.145 ( 0.263 4.137 7.968) 8.981 3.388 ( -5.075 1.130 1.280) 5.354 4.239 ( -3.902 0.787 -1.702) 4.329 4.417 ( 4.096 -1.977 3.930) 6.011 4.647 ( 9.846 -11.047 -2.051) 14.940 4.947 ( 7.118 -8.455 7.026) 13.096 5.201 ( 2.343 2.985 1.129) 3.959 5.880 ( 7.743 -9.925 -2.146) 12.770 6.052 ( 2.500 -8.808 1.380) 9.259 6.255 ( -4.400 6.955 -0.326) 8.237 6.692 ( 2.825 3.736 6.818) 8.272 7.050 ( -4.824 -1.140 4.933) 6.993 7.096 ( -0.834 5.044 -5.352) 7.401 7.410 ( -3.651 -6.793 -3.967) 8.672 7.705 ( -5.535 -3.227 -6.154) 8.883 7.854 ( 3.114 -2.543 -1.841) 4.422 8.348 ( -0.505 0.396 0.677) 0.933 8.878 ( 5.807 5.651 5.387) 9.730 9.140 ( 7.755 -0.948 9.428) 12.245 9.623 ( -2.372 1.569 -0.618) 2.910 9.787 ( -0.086 -3.777 -2.384) 4.468 10.241 ( -12.165 2.530 -5.979) 13.789 11.760 ( -4.199 6.641 4.837) 9.226 12.322 ( 4.817 6.228 8.619) 11.674 12.706 ( 2.813 -2.102 -5.661) 6.662 13.602 ( 0.753 0.142 -0.483) 0.906 13.853 ( 1.543 -3.525 -3.068) 4.922 14.086 ( -1.962 -2.038 -0.327) 2.848 16.740 ( 3.414 6.680 0.445) 7.515 17.158 ( 6.273 6.915 11.939) 15.156 17.787 ( -4.821 12.205 -3.048) 13.472 18.301 ( -16.900 7.099 0.771) 18.346 19.270 ( 7.507 -23.841 -7.050) 25.970 22.566 ( -0.888 0.641 -2.395) 2.633 ======================= Grid point 667 (329/336) ======================= q-point: (-0.36 0.27 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 13.567 4.670 3.597) 14.792 2.750 ( -6.171 9.769 0.842) 11.586 3.148 ( 1.359 5.022 -0.125) 5.204 3.231 ( -7.616 11.131 4.657) 14.268 4.160 ( -2.443 0.890 -3.010) 3.978 4.540 ( 4.092 -3.348 3.490) 6.335 4.909 ( 7.105 -16.495 -1.395) 18.014 5.118 ( 4.723 1.193 2.044) 5.283 5.218 ( -0.591 -1.999 4.700) 5.142 6.020 ( -1.205 -3.810 4.479) 6.003 6.116 ( -2.015 -0.658 -5.867) 6.238 6.287 ( 10.909 -12.602 -0.275) 16.670 6.716 ( -2.670 -0.533 3.910) 4.764 6.993 ( -1.203 3.231 -4.287) 5.501 7.087 ( 1.460 -0.823 6.332) 6.550 7.407 ( -0.494 -5.072 -2.631) 5.735 7.609 ( -7.086 -5.357 -4.575) 9.992 7.912 ( 2.580 -1.083 -1.187) 3.040 8.350 ( 0.195 -0.653 0.143) 0.696 8.937 ( 5.549 7.231 4.356) 10.102 9.314 ( 4.972 -0.474 7.354) 8.890 9.563 ( -2.131 2.561 -0.515) 3.371 9.799 ( -1.768 -6.427 -3.091) 7.348 9.985 ( -9.950 3.366 -5.043) 11.652 11.683 ( -0.986 6.721 2.896) 7.384 12.345 ( 2.460 16.211 7.150) 17.888 12.692 ( 0.815 -0.888 -6.774) 6.880 13.633 ( 0.923 -3.139 0.600) 3.326 13.899 ( 1.647 -2.956 -2.052) 3.958 14.088 ( -1.664 -6.075 0.158) 6.301 16.768 ( 6.690 6.099 0.875) 9.095 17.235 ( 3.277 9.838 9.573) 14.113 17.561 ( -1.234 15.429 -5.282) 16.355 17.924 ( -18.286 10.950 -0.761) 21.327 19.611 ( 6.084 -28.804 -2.568) 29.551 22.539 ( -0.426 0.047 -1.593) 1.650 ======================= Grid point 668 (330/336) ======================= q-point: (-0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.000 3.981 0.000) 3.981 2.594 ( -0.000 10.166 -0.000) 10.166 2.981 ( 0.000 20.569 -0.000) 20.569 3.163 ( -0.000 1.363 0.000) 1.363 4.113 ( -0.000 2.965 0.000) 2.965 4.622 ( 0.000 -3.276 0.000) 3.276 5.089 ( -0.000 -3.302 0.000) 3.302 5.171 ( 0.000 -12.207 0.000) 12.207 5.267 ( 0.000 -5.354 0.000) 5.354 5.945 ( -0.000 8.457 0.000) 8.457 6.211 ( 0.000 -15.071 0.000) 15.071 6.530 ( -0.000 -13.956 0.000) 13.956 6.688 ( -0.000 -0.504 0.000) 0.504 6.934 ( 0.000 4.535 0.000) 4.535 7.158 ( 0.000 -5.005 0.000) 5.005 7.435 ( -0.000 -0.248 0.000) 0.248 7.583 ( 0.000 -9.675 0.000) 9.675 7.935 ( 0.000 -0.229 0.000) 0.229 8.364 ( 0.000 -1.569 0.000) 1.569 8.941 ( -0.000 7.343 0.000) 7.343 9.368 ( 0.000 -0.011 0.000) 0.011 9.510 ( -0.000 4.227 0.000) 4.227 9.839 ( -0.000 -7.370 0.000) 7.370 9.852 ( 0.000 3.937 -0.000) 3.937 11.624 ( 0.000 6.906 0.000) 6.906 12.166 ( -0.000 25.915 -0.000) 25.915 12.714 ( 0.000 -5.102 0.000) 5.102 13.676 ( 0.000 -3.351 0.000) 3.351 13.918 ( 0.000 0.560 0.000) 0.560 14.163 ( -0.000 -11.746 0.000) 11.746 16.801 ( 0.000 4.978 0.000) 4.978 17.134 ( -0.000 15.059 -0.000) 15.059 17.530 ( 0.000 16.159 0.000) 16.159 17.535 ( -0.000 9.563 -0.000) 9.563 19.932 ( 0.000 -29.324 0.000) 29.324 22.533 ( 0.000 -0.330 0.000) 0.330 ======================= Grid point 676 (331/336) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 7.345 0.000 2.754) 7.844 3.123 ( 6.327 0.000 13.620) 15.018 3.191 ( 8.705 0.000 -2.145) 8.965 3.254 ( -8.717 -0.000 0.335) 8.724 4.261 ( -0.147 -0.000 2.283) 2.288 4.373 ( -2.558 -0.000 5.311) 5.895 4.477 ( 16.204 0.000 13.160) 20.875 4.544 ( -5.132 -0.000 -10.512) 11.698 5.200 ( 5.035 0.000 -3.120) 5.923 5.625 ( 6.401 0.000 -6.761) 9.310 5.957 ( -3.927 -0.000 1.814) 4.326 6.343 ( 0.155 0.000 9.982) 9.983 6.762 ( 4.998 0.000 0.093) 4.999 7.079 ( -10.661 -0.000 5.994) 12.230 7.247 ( 3.026 0.000 -3.804) 4.861 7.362 ( -4.070 -0.000 -6.765) 7.895 7.764 ( -0.048 -0.000 1.866) 1.867 7.794 ( -3.998 -0.000 -9.706) 10.497 8.384 ( -2.517 -0.000 0.087) 2.518 8.770 ( 9.671 0.000 11.576) 15.084 9.004 ( 3.805 0.000 2.819) 4.735 9.679 ( -0.157 -0.000 -1.901) 1.908 9.739 ( -0.025 -0.000 0.029) 0.038 10.457 ( -5.988 -0.000 -3.403) 6.888 11.963 ( -12.636 -0.000 6.497) 14.208 12.383 ( 11.935 0.000 -0.472) 11.944 12.441 ( 0.425 0.000 4.397) 4.418 13.624 ( 4.118 0.000 -2.737) 4.945 13.832 ( -4.518 -0.000 -1.617) 4.799 14.082 ( 0.910 0.000 -0.944) 1.311 16.849 ( -1.669 -0.000 -1.956) 2.571 17.037 ( 8.866 0.000 16.132) 18.408 18.046 ( -5.922 -0.000 11.395) 12.842 18.478 ( 10.225 0.000 -20.551) 22.954 19.001 ( -13.792 -0.000 -1.786) 13.907 22.608 ( -0.815 -0.000 -1.590) 1.787 ======================= Grid point 677 (332/336) ======================= q-point: (-0.55 0.36 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 14.706 2.267 2.517) 15.091 3.077 ( -8.454 5.278 0.770) 9.996 3.234 ( 3.568 5.153 8.375) 10.461 3.344 ( 2.906 -4.750 2.229) 5.998 4.241 ( -5.980 -0.227 0.784) 6.035 4.363 ( 3.133 -2.636 -3.130) 5.154 4.512 ( 2.881 -3.254 0.145) 4.349 4.835 ( 14.765 -2.998 11.565) 18.994 5.269 ( 5.290 2.875 0.314) 6.029 5.729 ( 7.226 -5.038 -5.513) 10.392 5.938 ( 0.099 -3.180 1.118) 3.372 6.349 ( -3.274 2.634 2.434) 4.856 6.807 ( 0.560 7.701 7.171) 10.538 6.973 ( -7.568 -6.522 6.565) 11.955 7.193 ( -3.450 4.943 -6.428) 8.812 7.298 ( -1.128 -5.023 -5.295) 7.386 7.669 ( -5.083 -0.846 -7.904) 9.435 7.814 ( 4.026 -1.370 -0.256) 4.261 8.351 ( -1.212 0.004 -0.505) 1.313 8.984 ( 8.813 4.816 10.416) 14.469 9.104 ( 5.623 -2.638 6.264) 8.821 9.634 ( -3.069 -0.046 -0.840) 3.182 9.737 ( -0.807 -1.294 -3.360) 3.690 10.274 ( -12.090 0.894 -6.055) 13.551 11.837 ( -6.634 1.787 5.930) 9.076 12.455 ( 6.642 7.420 5.551) 11.401 12.625 ( 8.710 -5.982 -0.646) 10.586 13.641 ( 0.785 3.305 -1.934) 3.909 13.763 ( -3.678 -4.880 -2.210) 6.498 14.078 ( -0.407 0.205 -1.651) 1.713 16.825 ( 1.918 2.307 -1.287) 3.265 17.256 ( 7.435 2.975 15.826) 17.737 17.968 ( -8.537 5.828 8.955) 13.676 18.440 ( -1.238 7.301 -14.022) 15.857 18.884 ( -2.512 -15.198 -6.194) 16.603 22.575 ( -1.466 0.254 -2.170) 2.631 ======================= Grid point 678 (333/336) ======================= q-point: (-0.45 0.36 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 605 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 13.674 3.516 1.971) 14.256 2.890 ( -8.739 4.958 0.543) 10.062 3.262 ( 2.730 6.904 3.449) 8.186 3.374 ( -1.548 3.706 2.362) 4.659 4.154 ( -3.620 -0.961 -2.164) 4.326 4.457 ( 3.473 -4.809 0.449) 5.949 4.636 ( 3.090 -11.397 0.197) 11.810 5.108 ( 9.476 0.041 7.004) 11.784 5.295 ( 2.190 6.276 1.252) 6.764 5.835 ( 0.733 -9.333 -1.262) 9.446 6.077 ( 8.481 -8.787 -0.715) 12.233 6.234 ( -4.447 6.247 -1.925) 7.907 6.738 ( -5.912 2.921 6.990) 9.610 7.022 ( -0.528 -1.244 1.221) 1.821 7.064 ( -2.813 -1.116 0.055) 3.027 7.321 ( 2.853 -3.150 -3.407) 5.447 7.549 ( -6.405 -1.493 -5.360) 8.485 7.888 ( 3.335 -1.255 -0.630) 3.618 8.341 ( 0.015 -0.303 -0.447) 0.540 9.076 ( 5.438 7.240 5.398) 10.542 9.294 ( 6.547 -1.966 8.722) 11.082 9.587 ( -2.143 0.129 -0.283) 2.166 9.695 ( -3.449 -3.986 -5.306) 7.479 10.028 ( -10.705 1.334 -5.490) 12.105 11.775 ( -2.249 3.121 3.328) 5.087 12.545 ( 6.281 5.362 7.724) 11.308 12.731 ( 3.815 4.058 -4.939) 7.444 13.599 ( -1.189 -0.109 -0.200) 1.210 13.781 ( -0.847 -7.589 -1.805) 7.846 14.053 ( -0.939 0.351 -1.142) 1.520 16.851 ( 4.477 2.867 -0.301) 5.324 17.396 ( 4.456 6.608 11.634) 14.102 17.798 ( -6.659 8.715 2.737) 11.304 18.169 ( -7.657 16.008 -8.101) 19.507 19.084 ( 3.212 -26.768 -3.966) 27.250 22.540 ( -0.996 0.069 -1.500) 1.802 ======================= Grid point 679 (334/336) ======================= q-point: (-0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 0.000 4.040 0.000) 4.040 2.755 ( -0.000 6.447 0.000) 6.447 3.237 ( 0.000 6.248 -0.000) 6.248 3.280 ( -0.000 11.252 0.000) 11.252 4.128 ( -0.000 -0.870 0.000) 0.870 4.539 ( 0.000 -5.430 0.000) 5.430 4.799 ( -0.000 -16.359 0.000) 16.359 5.208 ( 0.000 -0.335 0.000) 0.335 5.239 ( -0.000 7.974 0.000) 7.974 5.945 ( -0.000 -12.802 0.000) 12.802 6.104 ( -0.000 7.678 0.000) 7.678 6.278 ( -0.000 -12.092 0.000) 12.092 6.685 ( -0.000 0.786 0.000) 0.786 6.981 ( 0.000 0.774 -0.000) 0.774 7.106 ( 0.000 -2.255 0.000) 2.255 7.421 ( 0.000 -6.689 0.000) 6.689 7.438 ( -0.000 0.448 -0.000) 0.448 7.924 ( 0.000 -0.896 0.000) 0.896 8.345 ( 0.000 -0.577 0.000) 0.577 9.080 ( -0.000 7.325 0.000) 7.325 9.380 ( 0.000 1.069 0.000) 1.069 9.560 ( -0.000 1.321 0.000) 1.321 9.697 ( 0.000 -7.448 0.000) 7.448 9.903 ( -0.000 1.575 0.000) 1.575 11.733 ( 0.000 4.505 0.000) 4.505 12.587 ( -0.000 18.424 -0.000) 18.424 12.648 ( 0.000 -1.956 0.000) 1.956 13.613 ( 0.000 -3.132 0.000) 3.132 13.845 ( 0.000 -8.249 0.000) 8.249 14.041 ( -0.000 -1.023 0.000) 1.023 16.874 ( 0.000 2.834 0.000) 2.834 17.381 ( -0.000 10.788 -0.000) 10.788 17.695 ( 0.000 7.140 0.000) 7.140 17.874 ( -0.000 20.360 0.000) 20.360 19.372 ( -0.000 -29.792 0.000) 29.792 22.528 ( 0.000 -0.176 0.000) 0.176 ======================= Grid point 689 (335/336) ======================= q-point: (-0.55 0.45 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 13.642 0.000 1.426) 13.717 2.936 ( -9.861 -0.000 0.168) 9.862 3.351 ( 0.884 0.000 5.703) 5.771 3.391 ( 3.459 0.000 0.935) 3.583 4.142 ( -4.220 -0.000 -2.013) 4.675 4.403 ( 4.267 0.000 -1.708) 4.597 4.524 ( 0.550 0.000 1.904) 1.982 5.116 ( 11.807 0.000 8.108) 14.322 5.368 ( 3.242 0.000 1.529) 3.584 5.736 ( 0.865 0.000 -3.297) 3.409 5.988 ( 6.711 0.000 -0.264) 6.716 6.297 ( -4.289 -0.000 -1.764) 4.637 6.787 ( -9.589 -0.000 7.614) 12.244 6.977 ( 3.126 0.000 7.697) 8.307 7.061 ( -6.733 -0.000 -6.518) 9.371 7.295 ( 4.821 0.000 -4.223) 6.409 7.537 ( -5.780 -0.000 -5.160) 7.748 7.874 ( 3.649 0.000 -0.345) 3.665 8.338 ( 0.063 0.000 -0.583) 0.586 9.173 ( 3.488 0.000 3.589) 5.005 9.251 ( 9.342 0.000 11.893) 15.123 9.582 ( -2.419 -0.000 -0.469) 2.464 9.660 ( -3.992 -0.000 -6.397) 7.541 10.040 ( -11.200 -0.000 -5.632) 12.537 11.803 ( -2.480 -0.000 3.526) 4.311 12.589 ( 3.391 0.000 3.443) 4.833 12.777 ( 9.914 0.000 0.664) 9.936 13.622 ( -5.846 -0.000 -1.439) 6.020 13.681 ( 1.153 0.000 -1.424) 1.833 14.059 ( -0.714 -0.000 -1.493) 1.655 16.878 ( 3.678 0.000 -0.663) 3.737 17.460 ( 4.746 0.000 11.835) 12.751 17.877 ( -10.466 -0.000 6.627) 12.387 18.440 ( 2.269 0.000 -13.948) 14.132 18.713 ( -1.952 -0.000 -1.769) 2.635 22.541 ( -1.208 -0.000 -1.470) 1.902 ======================= Grid point 691 (336/336) ======================= q-point: (-0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 Number of triplets: 308 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 0.000 1.865 0.000) 1.865 2.832 ( -0.000 1.950 0.000) 1.950 3.353 ( 0.000 4.361 0.000) 4.361 3.409 ( -0.000 3.025 0.000) 3.025 4.105 ( -0.000 -0.970 0.000) 0.970 4.451 ( 0.000 -2.958 0.000) 2.958 4.567 ( -0.000 -7.155 0.000) 7.155 5.238 ( 0.000 2.202 0.000) 2.202 5.372 ( -0.000 4.713 0.000) 4.713 5.758 ( -0.000 -6.127 0.000) 6.127 6.084 ( -0.000 -5.625 0.000) 5.625 6.232 ( -0.000 3.369 0.000) 3.369 6.718 ( 0.000 1.929 0.000) 1.929 6.980 ( -0.000 -0.380 0.000) 0.380 7.045 ( 0.000 -3.192 0.000) 3.192 7.353 ( 0.000 -1.130 0.000) 1.130 7.446 ( -0.000 0.285 0.000) 0.285 7.908 ( -0.000 -0.590 0.000) 0.590 8.339 ( 0.000 -0.118 0.000) 0.118 9.198 ( 0.000 4.252 0.000) 4.252 9.399 ( -0.000 0.695 -0.000) 0.695 9.562 ( -0.000 -1.705 0.000) 1.705 9.587 ( 0.000 -2.406 0.000) 2.406 9.918 ( -0.000 0.235 0.000) 0.235 11.789 ( 0.000 1.440 0.000) 1.440 12.631 ( 0.000 -0.199 0.000) 0.199 12.834 ( -0.000 7.248 0.000) 7.248 13.569 ( 0.000 -1.332 0.000) 1.332 13.708 ( 0.000 -4.669 0.000) 4.669 14.045 ( -0.000 0.424 0.000) 0.424 16.909 ( -0.000 0.908 0.000) 0.908 17.521 ( -0.000 3.912 -0.000) 3.912 17.789 ( 0.000 2.620 0.000) 2.620 18.276 ( 0.000 21.172 0.000) 21.172 18.847 ( -0.000 -24.608 0.000) 24.608 22.526 ( 0.000 -0.052 0.000) 0.052 =================== 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 3/43560 10.0 441.070 788.113 558.696 -0.000 61.436 -0.000 3/43560 20.0 106.066 147.429 142.061 -0.000 4.098 -0.000 3/43560 30.0 58.767 69.257 73.292 -0.000 1.254 -0.000 3/43560 40.0 37.972 42.377 45.980 -0.000 0.939 -0.000 3/43560 50.0 26.415 28.763 31.604 -0.000 0.841 -0.000 3/43560 60.0 19.464 20.875 23.143 -0.000 0.744 -0.000 3/43560 70.0 15.053 15.963 17.821 -0.000 0.648 -0.000 3/43560 80.0 12.115 12.732 14.294 -0.000 0.565 -0.000 3/43560 90.0 10.070 10.504 11.847 -0.000 0.496 -0.000 3/43560 100.0 8.589 8.904 10.079 -0.000 0.439 -0.000 3/43560 110.0 7.480 7.713 8.758 -0.000 0.393 -0.000 3/43560 120.0 6.625 6.799 7.740 -0.000 0.355 -0.000 3/43560 130.0 5.949 6.081 6.936 -0.000 0.323 -0.000 3/43560 140.0 5.404 5.503 6.286 -0.000 0.296 -0.000 3/43560 150.0 4.955 5.029 5.752 -0.000 0.272 -0.000 3/43560 160.0 4.581 4.635 5.305 -0.000 0.252 -0.000 3/43560 170.0 4.263 4.301 4.925 -0.000 0.234 -0.000 3/43560 180.0 3.991 4.016 4.599 -0.000 0.219 -0.000 3/43560 190.0 3.755 3.769 4.317 -0.000 0.205 -0.000 3/43560 200.0 3.548 3.553 4.069 -0.000 0.193 -0.000 3/43560 210.0 3.365 3.362 3.849 -0.000 0.182 -0.000 3/43560 220.0 3.202 3.193 3.654 -0.000 0.172 -0.000 3/43560 230.0 3.055 3.041 3.479 -0.000 0.163 -0.000 3/43560 240.0 2.923 2.904 3.320 -0.000 0.154 -0.000 3/43560 250.0 2.802 2.780 3.177 -0.000 0.147 -0.000 3/43560 260.0 2.693 2.667 3.046 -0.000 0.140 -0.000 3/43560 270.0 2.592 2.563 2.926 -0.000 0.134 -0.000 3/43560 280.0 2.499 2.468 2.815 -0.000 0.128 -0.000 3/43560 290.0 2.412 2.380 2.713 -0.000 0.122 -0.000 3/43560 300.0 2.332 2.299 2.619 -0.000 0.117 -0.000 3/43560 310.0 2.258 2.223 2.531 -0.000 0.113 -0.000 3/43560 320.0 2.188 2.152 2.449 -0.000 0.109 -0.000 3/43560 330.0 2.123 2.086 2.372 -0.000 0.105 -0.000 3/43560 340.0 2.062 2.024 2.300 -0.000 0.101 -0.000 3/43560 350.0 2.004 1.965 2.233 -0.000 0.097 -0.000 3/43560 360.0 1.949 1.911 2.169 -0.000 0.094 -0.000 3/43560 370.0 1.898 1.859 2.109 -0.000 0.091 -0.000 3/43560 380.0 1.849 1.810 2.053 -0.000 0.088 -0.000 3/43560 390.0 1.803 1.763 1.999 -0.000 0.086 -0.000 3/43560 400.0 1.759 1.719 1.949 -0.000 0.083 -0.000 3/43560 410.0 1.717 1.677 1.900 -0.000 0.081 -0.000 3/43560 420.0 1.677 1.638 1.855 -0.000 0.079 -0.000 3/43560 430.0 1.639 1.600 1.811 -0.000 0.076 -0.000 3/43560 440.0 1.603 1.564 1.769 -0.000 0.074 -0.000 3/43560 450.0 1.569 1.529 1.730 -0.000 0.072 -0.000 3/43560 460.0 1.535 1.496 1.692 -0.000 0.071 -0.000 3/43560 470.0 1.503 1.464 1.655 -0.000 0.069 -0.000 3/43560 480.0 1.473 1.434 1.621 -0.000 0.067 -0.000 3/43560 490.0 1.444 1.405 1.587 -0.000 0.066 -0.000 3/43560 500.0 1.416 1.377 1.556 -0.000 0.064 -0.000 3/43560 510.0 1.388 1.351 1.525 -0.000 0.063 -0.000 3/43560 520.0 1.362 1.325 1.495 -0.000 0.061 -0.000 3/43560 530.0 1.337 1.300 1.467 -0.000 0.060 -0.000 3/43560 540.0 1.313 1.276 1.440 -0.000 0.059 -0.000 3/43560 550.0 1.290 1.253 1.414 -0.000 0.058 -0.000 3/43560 560.0 1.267 1.231 1.388 -0.000 0.057 -0.000 3/43560 570.0 1.246 1.210 1.364 -0.000 0.055 -0.000 3/43560 580.0 1.225 1.189 1.340 -0.000 0.054 -0.000 3/43560 590.0 1.204 1.169 1.318 -0.000 0.053 -0.000 3/43560 600.0 1.185 1.150 1.296 -0.000 0.052 -0.000 3/43560 610.0 1.166 1.131 1.274 -0.000 0.051 -0.000 3/43560 620.0 1.147 1.113 1.254 -0.000 0.050 -0.000 3/43560 630.0 1.129 1.095 1.234 -0.000 0.050 -0.000 3/43560 640.0 1.112 1.078 1.214 -0.000 0.049 -0.000 3/43560 650.0 1.095 1.062 1.196 -0.000 0.048 -0.000 3/43560 660.0 1.079 1.046 1.178 -0.000 0.047 -0.000 3/43560 670.0 1.063 1.031 1.160 -0.000 0.046 -0.000 3/43560 680.0 1.048 1.015 1.143 -0.000 0.046 -0.000 3/43560 690.0 1.033 1.001 1.126 -0.000 0.045 -0.000 3/43560 700.0 1.019 0.987 1.110 -0.000 0.044 -0.000 3/43560 710.0 1.005 0.973 1.095 -0.000 0.044 -0.000 3/43560 720.0 0.991 0.960 1.079 -0.000 0.043 -0.000 3/43560 730.0 0.977 0.946 1.065 -0.000 0.042 -0.000 3/43560 740.0 0.964 0.934 1.050 -0.000 0.042 -0.000 3/43560 750.0 0.952 0.921 1.036 -0.000 0.041 -0.000 3/43560 760.0 0.939 0.909 1.023 -0.000 0.040 -0.000 3/43560 770.0 0.927 0.898 1.009 -0.000 0.040 -0.000 3/43560 780.0 0.916 0.886 0.996 -0.000 0.039 -0.000 3/43560 790.0 0.904 0.875 0.984 -0.000 0.039 -0.000 3/43560 800.0 0.893 0.864 0.972 -0.000 0.038 -0.000 3/43560 810.0 0.882 0.854 0.960 -0.000 0.038 -0.000 3/43560 820.0 0.872 0.843 0.948 -0.000 0.037 -0.000 3/43560 830.0 0.861 0.833 0.936 -0.000 0.037 -0.000 3/43560 840.0 0.851 0.823 0.925 -0.000 0.036 -0.000 3/43560 850.0 0.841 0.814 0.914 -0.000 0.036 -0.000 3/43560 860.0 0.832 0.804 0.904 -0.000 0.035 -0.000 3/43560 870.0 0.822 0.795 0.893 -0.000 0.035 -0.000 3/43560 880.0 0.813 0.786 0.883 -0.000 0.035 -0.000 3/43560 890.0 0.804 0.777 0.873 -0.000 0.034 -0.000 3/43560 900.0 0.795 0.769 0.864 -0.000 0.034 -0.000 3/43560 910.0 0.787 0.760 0.854 -0.000 0.033 -0.000 3/43560 920.0 0.778 0.752 0.845 -0.000 0.033 -0.000 3/43560 930.0 0.770 0.744 0.836 -0.000 0.033 -0.000 3/43560 940.0 0.762 0.736 0.827 -0.000 0.032 -0.000 3/43560 950.0 0.754 0.729 0.818 -0.000 0.032 -0.000 3/43560 960.0 0.746 0.721 0.810 -0.000 0.032 -0.000 3/43560 970.0 0.739 0.714 0.801 -0.000 0.031 -0.000 3/43560 980.0 0.731 0.706 0.793 -0.000 0.031 -0.000 3/43560 990.0 0.724 0.699 0.785 -0.000 0.031 -0.000 3/43560 1000.0 0.717 0.692 0.777 -0.000 0.030 -0.000 3/43560 Thermal conductivity related properties were written into "kappa-m111110.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:51:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|