----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:24:49]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.871686280000000 2.871686280000000 6.288030030000000 b 2.871686280000000 -2.871686280000000 6.288030030000000 c 2.871686280000000 2.871686280000000 -6.288030030000000 Atomic positions (fractional): *1 O 0.70452956028783 0.79536429045911 0.65822481607760 15.999 2 O 0.79630474421023 0.95452956028783 0.40916526982872 15.999 3 O 0.54536429045911 0.38713947438150 0.59083473017128 15.999 4 O 0.13713947438151 0.04630474421023 0.34177518392240 15.999 5 O 0.61286052561850 0.20369525578977 0.15822481607760 15.999 6 O 0.20463570954089 0.86286052561849 0.90916526982872 15.999 7 O 0.95369525578977 0.29547043971217 0.09083473017128 15.999 8 O 0.04547043971217 0.45463570954089 0.84177518392240 15.999 *9 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 10 K 0.25000000000000 0.75000000000000 0.50000000000000 39.098 *11 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 12 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.743372559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.743372559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.576060060000000 Atomic positions (fractional): *1 O 0.37452977312444 0.28369504295316 0.42083451733467 15.999 > 1 2 O 0.78369504295316 0.62547022687556 0.17083451733467 15.999 > 2 3 O 0.21630495704684 0.37452977312444 0.17083451733467 15.999 > 3 4 O 0.62547022687556 0.71630495704684 0.42083451733467 15.999 > 4 5 O 0.87452977312444 0.28369504295316 0.32916548266533 15.999 > 5 6 O 0.78369504295316 0.12547022687556 0.07916548266533 15.999 > 6 7 O 0.21630495704684 0.87452977312444 0.07916548266533 15.999 > 7 8 O 0.12547022687556 0.71630495704684 0.32916548266533 15.999 > 8 9 O 0.87452977312444 0.78369504295316 0.92083451733467 15.999 > 1 10 O 0.28369504295316 0.12547022687556 0.67083451733467 15.999 > 2 11 O 0.71630495704684 0.87452977312444 0.67083451733467 15.999 > 3 12 O 0.12547022687556 0.21630495704684 0.92083451733467 15.999 > 4 13 O 0.37452977312444 0.78369504295316 0.82916548266533 15.999 > 5 14 O 0.28369504295316 0.62547022687556 0.57916548266533 15.999 > 6 15 O 0.71630495704684 0.37452977312444 0.57916548266533 15.999 > 7 16 O 0.62547022687556 0.21630495704684 0.82916548266533 15.999 > 8 *17 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 9 18 K 0.50000000000000 0.00000000000000 0.25000000000000 39.098 > 10 19 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 9 20 K 0.00000000000000 0.50000000000000 0.75000000000000 39.098 > 10 *21 Re 0.00000000000000 0.50000000000000 0.25000000000000 186.207 > 11 22 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 12 23 Re 0.50000000000000 0.00000000000000 0.75000000000000 186.207 > 11 24 Re 0.50000000000000 0.50000000000000 0.50000000000000 186.207 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.486745119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.486745119999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.576060060000000 Atomic positions (fractional): *1 O 0.18726488656222 0.14184752147658 0.42083451733467 15.999 > 1 2 O 0.68726488656222 0.14184752147658 0.42083451733467 15.999 > 1 3 O 0.18726488656222 0.64184752147658 0.42083451733467 15.999 > 1 4 O 0.68726488656222 0.64184752147658 0.42083451733467 15.999 > 1 5 O 0.39184752147658 0.31273511343778 0.17083451733467 15.999 > 2 6 O 0.89184752147658 0.31273511343778 0.17083451733467 15.999 > 2 7 O 0.39184752147658 0.81273511343778 0.17083451733467 15.999 > 2 8 O 0.89184752147658 0.81273511343778 0.17083451733467 15.999 > 2 9 O 0.10815247852342 0.18726488656222 0.17083451733467 15.999 > 3 10 O 0.60815247852342 0.18726488656222 0.17083451733467 15.999 > 3 11 O 0.10815247852342 0.68726488656222 0.17083451733467 15.999 > 3 12 O 0.60815247852342 0.68726488656222 0.17083451733467 15.999 > 3 13 O 0.31273511343778 0.35815247852342 0.42083451733467 15.999 > 4 14 O 0.81273511343778 0.35815247852342 0.42083451733467 15.999 > 4 15 O 0.31273511343778 0.85815247852342 0.42083451733467 15.999 > 4 16 O 0.81273511343778 0.85815247852342 0.42083451733467 15.999 > 4 17 O 0.43726488656222 0.14184752147658 0.32916548266533 15.999 > 5 18 O 0.93726488656222 0.14184752147658 0.32916548266533 15.999 > 5 19 O 0.43726488656222 0.64184752147658 0.32916548266533 15.999 > 5 20 O 0.93726488656222 0.64184752147658 0.32916548266533 15.999 > 5 21 O 0.39184752147658 0.06273511343778 0.07916548266533 15.999 > 6 22 O 0.89184752147658 0.06273511343778 0.07916548266533 15.999 > 6 23 O 0.39184752147658 0.56273511343778 0.07916548266533 15.999 > 6 24 O 0.89184752147658 0.56273511343778 0.07916548266533 15.999 > 6 25 O 0.10815247852342 0.43726488656222 0.07916548266533 15.999 > 7 26 O 0.60815247852342 0.43726488656222 0.07916548266533 15.999 > 7 27 O 0.10815247852342 0.93726488656222 0.07916548266533 15.999 > 7 28 O 0.60815247852342 0.93726488656222 0.07916548266533 15.999 > 7 29 O 0.06273511343778 0.35815247852342 0.32916548266533 15.999 > 8 30 O 0.56273511343778 0.35815247852342 0.32916548266533 15.999 > 8 31 O 0.06273511343778 0.85815247852342 0.32916548266533 15.999 > 8 32 O 0.56273511343778 0.85815247852342 0.32916548266533 15.999 > 8 33 O 0.43726488656222 0.39184752147658 0.92083451733467 15.999 > 1 34 O 0.93726488656222 0.39184752147658 0.92083451733467 15.999 > 1 35 O 0.43726488656222 0.89184752147658 0.92083451733467 15.999 > 1 36 O 0.93726488656222 0.89184752147658 0.92083451733467 15.999 > 1 37 O 0.14184752147658 0.06273511343778 0.67083451733467 15.999 > 2 38 O 0.64184752147658 0.06273511343778 0.67083451733467 15.999 > 2 39 O 0.14184752147658 0.56273511343778 0.67083451733467 15.999 > 2 40 O 0.64184752147658 0.56273511343778 0.67083451733467 15.999 > 2 41 O 0.35815247852342 0.43726488656222 0.67083451733467 15.999 > 3 42 O 0.85815247852342 0.43726488656222 0.67083451733467 15.999 > 3 43 O 0.35815247852342 0.93726488656222 0.67083451733467 15.999 > 3 44 O 0.85815247852342 0.93726488656222 0.67083451733467 15.999 > 3 45 O 0.06273511343778 0.10815247852342 0.92083451733467 15.999 > 4 46 O 0.56273511343778 0.10815247852342 0.92083451733467 15.999 > 4 47 O 0.06273511343778 0.60815247852342 0.92083451733467 15.999 > 4 48 O 0.56273511343778 0.60815247852342 0.92083451733467 15.999 > 4 49 O 0.18726488656222 0.39184752147658 0.82916548266533 15.999 > 5 50 O 0.68726488656222 0.39184752147658 0.82916548266533 15.999 > 5 51 O 0.18726488656222 0.89184752147658 0.82916548266533 15.999 > 5 52 O 0.68726488656222 0.89184752147658 0.82916548266533 15.999 > 5 53 O 0.14184752147658 0.31273511343778 0.57916548266533 15.999 > 6 54 O 0.64184752147658 0.31273511343778 0.57916548266533 15.999 > 6 55 O 0.14184752147658 0.81273511343778 0.57916548266533 15.999 > 6 56 O 0.64184752147658 0.81273511343778 0.57916548266533 15.999 > 6 57 O 0.35815247852342 0.18726488656222 0.57916548266533 15.999 > 7 58 O 0.85815247852342 0.18726488656222 0.57916548266533 15.999 > 7 59 O 0.35815247852342 0.68726488656222 0.57916548266533 15.999 > 7 60 O 0.85815247852342 0.68726488656222 0.57916548266533 15.999 > 7 61 O 0.31273511343778 0.10815247852342 0.82916548266533 15.999 > 8 62 O 0.81273511343778 0.10815247852342 0.82916548266533 15.999 > 8 63 O 0.31273511343778 0.60815247852342 0.82916548266533 15.999 > 8 64 O 0.81273511343778 0.60815247852342 0.82916548266533 15.999 > 8 *65 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 9 66 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 9 67 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 9 68 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 9 69 K 0.25000000000000 0.00000000000000 0.25000000000000 39.098 > 10 70 K 0.75000000000000 0.00000000000000 0.25000000000000 39.098 > 10 71 K 0.25000000000000 0.50000000000000 0.25000000000000 39.098 > 10 72 K 0.75000000000000 0.50000000000000 0.25000000000000 39.098 > 10 73 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 9 74 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 9 75 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 9 76 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 9 77 K 0.00000000000000 0.25000000000000 0.75000000000000 39.098 > 10 78 K 0.50000000000000 0.25000000000000 0.75000000000000 39.098 > 10 79 K 0.00000000000000 0.75000000000000 0.75000000000000 39.098 > 10 80 K 0.50000000000000 0.75000000000000 0.75000000000000 39.098 > 10 *81 Re 0.00000000000000 0.25000000000000 0.25000000000000 186.207 > 11 82 Re 0.50000000000000 0.25000000000000 0.25000000000000 186.207 > 11 83 Re 0.00000000000000 0.75000000000000 0.25000000000000 186.207 > 11 84 Re 0.50000000000000 0.75000000000000 0.25000000000000 186.207 > 11 85 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 12 86 Re 0.50000000000000 0.00000000000000 0.00000000000000 186.207 > 12 87 Re 0.00000000000000 0.50000000000000 0.00000000000000 186.207 > 12 88 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 > 12 89 Re 0.25000000000000 0.00000000000000 0.75000000000000 186.207 > 11 90 Re 0.75000000000000 0.00000000000000 0.75000000000000 186.207 > 11 91 Re 0.25000000000000 0.50000000000000 0.75000000000000 186.207 > 11 92 Re 0.75000000000000 0.50000000000000 0.75000000000000 186.207 > 11 93 Re 0.25000000000000 0.25000000000000 0.50000000000000 186.207 > 12 94 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 > 12 95 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 > 12 96 Re 0.75000000000000 0.75000000000000 0.50000000000000 186.207 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6944893 -0.0000018 0.0000000 0.0000018 2.6944893 0.0000000 0.0000000 0.0000000 2.8553868 -------------------------- Born effective charges -------------------------- 1 O -0.8839030 -0.4573845 -0.4827629 -0.5041331 -1.3013316 -0.5779351 -0.4276183 -0.6753771 -1.2171573 2 O -1.3013316 0.5041331 -0.5779351 0.4573845 -0.8839030 0.4827629 -0.6753771 0.4276183 -1.2171573 3 O -1.3013316 0.5041331 0.5779351 0.4573845 -0.8839030 -0.4827629 0.6753771 -0.4276183 -1.2171573 4 O -0.8839030 -0.4573845 0.4827629 -0.5041331 -1.3013316 0.5779351 0.4276183 0.6753771 -1.2171573 5 O -0.8839030 -0.4573845 0.4827629 -0.5041331 -1.3013316 0.5779351 0.4276183 0.6753771 -1.2171573 6 O -1.3013316 0.5041331 0.5779351 0.4573845 -0.8839030 -0.4827629 0.6753771 -0.4276183 -1.2171573 7 O -1.3013316 0.5041331 -0.5779351 0.4573845 -0.8839030 0.4827629 -0.6753771 0.4276183 -1.2171573 8 O -0.8839030 -0.4573845 -0.4827629 -0.5041331 -1.3013316 -0.5779351 -0.4276183 -0.6753771 -1.2171573 9 K 1.4145583 0.0644336 0.0000000 -0.0644336 1.4145583 0.0000000 0.0000000 0.0000000 1.3061853 10 K 1.4145583 0.0644336 0.0000000 -0.0644336 1.4145583 0.0000000 0.0000000 0.0000000 1.3061853 11 Re 2.9559108 -0.1579309 0.0000000 0.1579309 2.9559108 0.0000000 0.0000000 0.0000000 3.5624437 12 Re 2.9559108 -0.1579309 0.0000000 0.1579309 2.9559108 0.0000000 0.0000000 0.0000000 3.5624437 ---------------------------------------------------------------------------- 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: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.410 Solver_block: 200 / 240 - Time: 0.414 Solver_block: 240 / 240 - Time: 0.188 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.019 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), 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 20:24:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:24:57]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.871686280000000 2.871686280000000 6.288030030000000 b 2.871686280000000 -2.871686280000000 6.288030030000000 c 2.871686280000000 2.871686280000000 -6.288030030000000 Atomic positions (fractional): 1 O 0.70452956028783 0.79536429045911 0.65822481607760 15.999 2 O 0.79630474421023 0.95452956028783 0.40916526982872 15.999 3 O 0.54536429045911 0.38713947438150 0.59083473017128 15.999 4 O 0.13713947438151 0.04630474421023 0.34177518392240 15.999 5 O 0.61286052561850 0.20369525578977 0.15822481607760 15.999 6 O 0.20463570954089 0.86286052561849 0.90916526982872 15.999 7 O 0.95369525578977 0.29547043971217 0.09083473017128 15.999 8 O 0.04547043971217 0.45463570954089 0.84177518392240 15.999 9 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 10 K 0.25000000000000 0.75000000000000 0.50000000000000 39.098 11 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 12 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.486745119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.486745119999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.576060060000000 Atomic positions (fractional): 1 O 0.18726488656222 0.14184752147658 0.42083451733467 15.999 > 1 2 O 0.68726488656222 0.14184752147658 0.42083451733467 15.999 > 1 3 O 0.18726488656222 0.64184752147658 0.42083451733467 15.999 > 1 4 O 0.68726488656222 0.64184752147658 0.42083451733467 15.999 > 1 5 O 0.39184752147658 0.31273511343778 0.17083451733467 15.999 > 5 6 O 0.89184752147658 0.31273511343778 0.17083451733467 15.999 > 5 7 O 0.39184752147658 0.81273511343778 0.17083451733467 15.999 > 5 8 O 0.89184752147658 0.81273511343778 0.17083451733467 15.999 > 5 9 O 0.10815247852342 0.18726488656222 0.17083451733467 15.999 > 9 10 O 0.60815247852342 0.18726488656222 0.17083451733467 15.999 > 9 11 O 0.10815247852342 0.68726488656222 0.17083451733467 15.999 > 9 12 O 0.60815247852342 0.68726488656222 0.17083451733467 15.999 > 9 13 O 0.31273511343778 0.35815247852342 0.42083451733467 15.999 > 13 14 O 0.81273511343778 0.35815247852342 0.42083451733467 15.999 > 13 15 O 0.31273511343778 0.85815247852342 0.42083451733467 15.999 > 13 16 O 0.81273511343778 0.85815247852342 0.42083451733467 15.999 > 13 17 O 0.43726488656222 0.14184752147658 0.32916548266533 15.999 > 17 18 O 0.93726488656222 0.14184752147658 0.32916548266533 15.999 > 17 19 O 0.43726488656222 0.64184752147658 0.32916548266533 15.999 > 17 20 O 0.93726488656222 0.64184752147658 0.32916548266533 15.999 > 17 21 O 0.39184752147658 0.06273511343778 0.07916548266533 15.999 > 21 22 O 0.89184752147658 0.06273511343778 0.07916548266533 15.999 > 21 23 O 0.39184752147658 0.56273511343778 0.07916548266533 15.999 > 21 24 O 0.89184752147658 0.56273511343778 0.07916548266533 15.999 > 21 25 O 0.10815247852342 0.43726488656222 0.07916548266533 15.999 > 25 26 O 0.60815247852342 0.43726488656222 0.07916548266533 15.999 > 25 27 O 0.10815247852342 0.93726488656222 0.07916548266533 15.999 > 25 28 O 0.60815247852342 0.93726488656222 0.07916548266533 15.999 > 25 29 O 0.06273511343778 0.35815247852342 0.32916548266533 15.999 > 29 30 O 0.56273511343778 0.35815247852342 0.32916548266533 15.999 > 29 31 O 0.06273511343778 0.85815247852342 0.32916548266533 15.999 > 29 32 O 0.56273511343778 0.85815247852342 0.32916548266533 15.999 > 29 33 O 0.43726488656222 0.39184752147658 0.92083451733467 15.999 > 1 34 O 0.93726488656222 0.39184752147658 0.92083451733467 15.999 > 1 35 O 0.43726488656222 0.89184752147658 0.92083451733467 15.999 > 1 36 O 0.93726488656222 0.89184752147658 0.92083451733467 15.999 > 1 37 O 0.14184752147658 0.06273511343778 0.67083451733467 15.999 > 5 38 O 0.64184752147658 0.06273511343778 0.67083451733467 15.999 > 5 39 O 0.14184752147658 0.56273511343778 0.67083451733467 15.999 > 5 40 O 0.64184752147658 0.56273511343778 0.67083451733467 15.999 > 5 41 O 0.35815247852342 0.43726488656222 0.67083451733467 15.999 > 9 42 O 0.85815247852342 0.43726488656222 0.67083451733467 15.999 > 9 43 O 0.35815247852342 0.93726488656222 0.67083451733467 15.999 > 9 44 O 0.85815247852342 0.93726488656222 0.67083451733467 15.999 > 9 45 O 0.06273511343778 0.10815247852342 0.92083451733467 15.999 > 13 46 O 0.56273511343778 0.10815247852342 0.92083451733467 15.999 > 13 47 O 0.06273511343778 0.60815247852342 0.92083451733467 15.999 > 13 48 O 0.56273511343778 0.60815247852342 0.92083451733467 15.999 > 13 49 O 0.18726488656222 0.39184752147658 0.82916548266533 15.999 > 17 50 O 0.68726488656222 0.39184752147658 0.82916548266533 15.999 > 17 51 O 0.18726488656222 0.89184752147658 0.82916548266533 15.999 > 17 52 O 0.68726488656222 0.89184752147658 0.82916548266533 15.999 > 17 53 O 0.14184752147658 0.31273511343778 0.57916548266533 15.999 > 21 54 O 0.64184752147658 0.31273511343778 0.57916548266533 15.999 > 21 55 O 0.14184752147658 0.81273511343778 0.57916548266533 15.999 > 21 56 O 0.64184752147658 0.81273511343778 0.57916548266533 15.999 > 21 57 O 0.35815247852342 0.18726488656222 0.57916548266533 15.999 > 25 58 O 0.85815247852342 0.18726488656222 0.57916548266533 15.999 > 25 59 O 0.35815247852342 0.68726488656222 0.57916548266533 15.999 > 25 60 O 0.85815247852342 0.68726488656222 0.57916548266533 15.999 > 25 61 O 0.31273511343778 0.10815247852342 0.82916548266533 15.999 > 29 62 O 0.81273511343778 0.10815247852342 0.82916548266533 15.999 > 29 63 O 0.31273511343778 0.60815247852342 0.82916548266533 15.999 > 29 64 O 0.81273511343778 0.60815247852342 0.82916548266533 15.999 > 29 65 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 65 66 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 65 67 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 65 68 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 65 69 K 0.25000000000000 0.00000000000000 0.25000000000000 39.098 > 69 70 K 0.75000000000000 0.00000000000000 0.25000000000000 39.098 > 69 71 K 0.25000000000000 0.50000000000000 0.25000000000000 39.098 > 69 72 K 0.75000000000000 0.50000000000000 0.25000000000000 39.098 > 69 73 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 65 74 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 65 75 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 65 76 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 65 77 K 0.00000000000000 0.25000000000000 0.75000000000000 39.098 > 69 78 K 0.50000000000000 0.25000000000000 0.75000000000000 39.098 > 69 79 K 0.00000000000000 0.75000000000000 0.75000000000000 39.098 > 69 80 K 0.50000000000000 0.75000000000000 0.75000000000000 39.098 > 69 81 Re 0.00000000000000 0.25000000000000 0.25000000000000 186.207 > 81 82 Re 0.50000000000000 0.25000000000000 0.25000000000000 186.207 > 81 83 Re 0.00000000000000 0.75000000000000 0.25000000000000 186.207 > 81 84 Re 0.50000000000000 0.75000000000000 0.25000000000000 186.207 > 81 85 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 85 86 Re 0.50000000000000 0.00000000000000 0.00000000000000 186.207 > 85 87 Re 0.00000000000000 0.50000000000000 0.00000000000000 186.207 > 85 88 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 > 85 89 Re 0.25000000000000 0.00000000000000 0.75000000000000 186.207 > 81 90 Re 0.75000000000000 0.00000000000000 0.75000000000000 186.207 > 81 91 Re 0.25000000000000 0.50000000000000 0.75000000000000 186.207 > 81 92 Re 0.75000000000000 0.50000000000000 0.75000000000000 186.207 > 81 93 Re 0.25000000000000 0.25000000000000 0.50000000000000 186.207 > 85 94 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 > 85 95 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 > 85 96 Re 0.75000000000000 0.75000000000000 0.50000000000000 186.207 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6944893 -0.0000018 0.0000000 0.0000018 2.6944893 0.0000000 0.0000000 0.0000000 2.8553868 -------------------------- Born effective charges -------------------------- 1 O -0.8839030 -0.4573845 -0.4827629 -0.5041331 -1.3013316 -0.5779351 -0.4276183 -0.6753771 -1.2171573 2 O -1.3013316 0.5041331 -0.5779351 0.4573845 -0.8839030 0.4827629 -0.6753771 0.4276183 -1.2171573 3 O -1.3013316 0.5041331 0.5779351 0.4573845 -0.8839030 -0.4827629 0.6753771 -0.4276183 -1.2171573 4 O -0.8839030 -0.4573845 0.4827629 -0.5041331 -1.3013316 0.5779351 0.4276183 0.6753771 -1.2171573 5 O -0.8839030 -0.4573845 0.4827629 -0.5041331 -1.3013316 0.5779351 0.4276183 0.6753771 -1.2171573 6 O -1.3013316 0.5041331 0.5779351 0.4573845 -0.8839030 -0.4827629 0.6753771 -0.4276183 -1.2171573 7 O -1.3013316 0.5041331 -0.5779351 0.4573845 -0.8839030 0.4827629 -0.6753771 0.4276183 -1.2171573 8 O -0.8839030 -0.4573845 -0.4827629 -0.5041331 -1.3013316 -0.5779351 -0.4276183 -0.6753771 -1.2171573 9 K 1.4145583 0.0644336 0.0000000 -0.0644336 1.4145583 0.0000000 0.0000000 0.0000000 1.3061853 10 K 1.4145583 0.0644336 0.0000000 -0.0644336 1.4145583 0.0000000 0.0000000 0.0000000 1.3061853 11 Re 2.9559108 -0.1579309 0.0000000 0.1579309 2.9559108 0.0000000 0.0000000 0.0000000 3.5624437 12 Re 2.9559108 -0.1579309 0.0000000 0.1579309 2.9559108 0.0000000 0.0000000 0.0000000 3.5624437 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xzy) 0.00000003 (xzy) 0.00000003 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000007 (xy) -0.00000007 (xy) 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 20:25:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:25:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.871686280000000 2.871686280000000 6.288030030000000 b 2.871686280000000 -2.871686280000000 6.288030030000000 c 2.871686280000000 2.871686280000000 -6.288030030000000 Atomic positions (fractional): 1 O 0.70452956028783 0.79536429045911 0.65822481607760 15.999 2 O 0.79630474421023 0.95452956028783 0.40916526982872 15.999 3 O 0.54536429045911 0.38713947438150 0.59083473017128 15.999 4 O 0.13713947438151 0.04630474421023 0.34177518392240 15.999 5 O 0.61286052561850 0.20369525578977 0.15822481607760 15.999 6 O 0.20463570954089 0.86286052561849 0.90916526982872 15.999 7 O 0.95369525578977 0.29547043971217 0.09083473017128 15.999 8 O 0.04547043971217 0.45463570954089 0.84177518392240 15.999 9 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 10 K 0.25000000000000 0.75000000000000 0.50000000000000 39.098 11 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 12 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.486745119999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.486745119999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.576060060000000 Atomic positions (fractional): 1 O 0.18726488656222 0.14184752147658 0.42083451733467 15.999 > 1 2 O 0.68726488656222 0.14184752147658 0.42083451733467 15.999 > 1 3 O 0.18726488656222 0.64184752147658 0.42083451733467 15.999 > 1 4 O 0.68726488656222 0.64184752147658 0.42083451733467 15.999 > 1 5 O 0.39184752147658 0.31273511343778 0.17083451733467 15.999 > 5 6 O 0.89184752147658 0.31273511343778 0.17083451733467 15.999 > 5 7 O 0.39184752147658 0.81273511343778 0.17083451733467 15.999 > 5 8 O 0.89184752147658 0.81273511343778 0.17083451733467 15.999 > 5 9 O 0.10815247852342 0.18726488656222 0.17083451733467 15.999 > 9 10 O 0.60815247852342 0.18726488656222 0.17083451733467 15.999 > 9 11 O 0.10815247852342 0.68726488656222 0.17083451733467 15.999 > 9 12 O 0.60815247852342 0.68726488656222 0.17083451733467 15.999 > 9 13 O 0.31273511343778 0.35815247852342 0.42083451733467 15.999 > 13 14 O 0.81273511343778 0.35815247852342 0.42083451733467 15.999 > 13 15 O 0.31273511343778 0.85815247852342 0.42083451733467 15.999 > 13 16 O 0.81273511343778 0.85815247852342 0.42083451733467 15.999 > 13 17 O 0.43726488656222 0.14184752147658 0.32916548266533 15.999 > 17 18 O 0.93726488656222 0.14184752147658 0.32916548266533 15.999 > 17 19 O 0.43726488656222 0.64184752147658 0.32916548266533 15.999 > 17 20 O 0.93726488656222 0.64184752147658 0.32916548266533 15.999 > 17 21 O 0.39184752147658 0.06273511343778 0.07916548266533 15.999 > 21 22 O 0.89184752147658 0.06273511343778 0.07916548266533 15.999 > 21 23 O 0.39184752147658 0.56273511343778 0.07916548266533 15.999 > 21 24 O 0.89184752147658 0.56273511343778 0.07916548266533 15.999 > 21 25 O 0.10815247852342 0.43726488656222 0.07916548266533 15.999 > 25 26 O 0.60815247852342 0.43726488656222 0.07916548266533 15.999 > 25 27 O 0.10815247852342 0.93726488656222 0.07916548266533 15.999 > 25 28 O 0.60815247852342 0.93726488656222 0.07916548266533 15.999 > 25 29 O 0.06273511343778 0.35815247852342 0.32916548266533 15.999 > 29 30 O 0.56273511343778 0.35815247852342 0.32916548266533 15.999 > 29 31 O 0.06273511343778 0.85815247852342 0.32916548266533 15.999 > 29 32 O 0.56273511343778 0.85815247852342 0.32916548266533 15.999 > 29 33 O 0.43726488656222 0.39184752147658 0.92083451733467 15.999 > 1 34 O 0.93726488656222 0.39184752147658 0.92083451733467 15.999 > 1 35 O 0.43726488656222 0.89184752147658 0.92083451733467 15.999 > 1 36 O 0.93726488656222 0.89184752147658 0.92083451733467 15.999 > 1 37 O 0.14184752147658 0.06273511343778 0.67083451733467 15.999 > 5 38 O 0.64184752147658 0.06273511343778 0.67083451733467 15.999 > 5 39 O 0.14184752147658 0.56273511343778 0.67083451733467 15.999 > 5 40 O 0.64184752147658 0.56273511343778 0.67083451733467 15.999 > 5 41 O 0.35815247852342 0.43726488656222 0.67083451733467 15.999 > 9 42 O 0.85815247852342 0.43726488656222 0.67083451733467 15.999 > 9 43 O 0.35815247852342 0.93726488656222 0.67083451733467 15.999 > 9 44 O 0.85815247852342 0.93726488656222 0.67083451733467 15.999 > 9 45 O 0.06273511343778 0.10815247852342 0.92083451733467 15.999 > 13 46 O 0.56273511343778 0.10815247852342 0.92083451733467 15.999 > 13 47 O 0.06273511343778 0.60815247852342 0.92083451733467 15.999 > 13 48 O 0.56273511343778 0.60815247852342 0.92083451733467 15.999 > 13 49 O 0.18726488656222 0.39184752147658 0.82916548266533 15.999 > 17 50 O 0.68726488656222 0.39184752147658 0.82916548266533 15.999 > 17 51 O 0.18726488656222 0.89184752147658 0.82916548266533 15.999 > 17 52 O 0.68726488656222 0.89184752147658 0.82916548266533 15.999 > 17 53 O 0.14184752147658 0.31273511343778 0.57916548266533 15.999 > 21 54 O 0.64184752147658 0.31273511343778 0.57916548266533 15.999 > 21 55 O 0.14184752147658 0.81273511343778 0.57916548266533 15.999 > 21 56 O 0.64184752147658 0.81273511343778 0.57916548266533 15.999 > 21 57 O 0.35815247852342 0.18726488656222 0.57916548266533 15.999 > 25 58 O 0.85815247852342 0.18726488656222 0.57916548266533 15.999 > 25 59 O 0.35815247852342 0.68726488656222 0.57916548266533 15.999 > 25 60 O 0.85815247852342 0.68726488656222 0.57916548266533 15.999 > 25 61 O 0.31273511343778 0.10815247852342 0.82916548266533 15.999 > 29 62 O 0.81273511343778 0.10815247852342 0.82916548266533 15.999 > 29 63 O 0.31273511343778 0.60815247852342 0.82916548266533 15.999 > 29 64 O 0.81273511343778 0.60815247852342 0.82916548266533 15.999 > 29 65 K 0.25000000000000 0.25000000000000 0.00000000000000 39.098 > 65 66 K 0.75000000000000 0.25000000000000 0.00000000000000 39.098 > 65 67 K 0.25000000000000 0.75000000000000 0.00000000000000 39.098 > 65 68 K 0.75000000000000 0.75000000000000 0.00000000000000 39.098 > 65 69 K 0.25000000000000 0.00000000000000 0.25000000000000 39.098 > 69 70 K 0.75000000000000 0.00000000000000 0.25000000000000 39.098 > 69 71 K 0.25000000000000 0.50000000000000 0.25000000000000 39.098 > 69 72 K 0.75000000000000 0.50000000000000 0.25000000000000 39.098 > 69 73 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 65 74 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 65 75 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 65 76 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 65 77 K 0.00000000000000 0.25000000000000 0.75000000000000 39.098 > 69 78 K 0.50000000000000 0.25000000000000 0.75000000000000 39.098 > 69 79 K 0.00000000000000 0.75000000000000 0.75000000000000 39.098 > 69 80 K 0.50000000000000 0.75000000000000 0.75000000000000 39.098 > 69 81 Re 0.00000000000000 0.25000000000000 0.25000000000000 186.207 > 81 82 Re 0.50000000000000 0.25000000000000 0.25000000000000 186.207 > 81 83 Re 0.00000000000000 0.75000000000000 0.25000000000000 186.207 > 81 84 Re 0.50000000000000 0.75000000000000 0.25000000000000 186.207 > 81 85 Re 0.00000000000000 0.00000000000000 0.00000000000000 186.207 > 85 86 Re 0.50000000000000 0.00000000000000 0.00000000000000 186.207 > 85 87 Re 0.00000000000000 0.50000000000000 0.00000000000000 186.207 > 85 88 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 > 85 89 Re 0.25000000000000 0.00000000000000 0.75000000000000 186.207 > 81 90 Re 0.75000000000000 0.00000000000000 0.75000000000000 186.207 > 81 91 Re 0.25000000000000 0.50000000000000 0.75000000000000 186.207 > 81 92 Re 0.75000000000000 0.50000000000000 0.75000000000000 186.207 > 81 93 Re 0.25000000000000 0.25000000000000 0.50000000000000 186.207 > 85 94 Re 0.75000000000000 0.25000000000000 0.50000000000000 186.207 > 85 95 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 > 85 96 Re 0.75000000000000 0.75000000000000 0.50000000000000 186.207 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6944893 -0.0000018 0.0000000 0.0000018 2.6944893 0.0000000 0.0000000 0.0000000 2.8553868 -------------------------- Born effective charges -------------------------- 1 O -0.8839030 -0.4573845 -0.4827629 -0.5041331 -1.3013316 -0.5779351 -0.4276183 -0.6753771 -1.2171573 2 O -1.3013316 0.5041331 -0.5779351 0.4573845 -0.8839030 0.4827629 -0.6753771 0.4276183 -1.2171573 3 O -1.3013316 0.5041331 0.5779351 0.4573845 -0.8839030 -0.4827629 0.6753771 -0.4276183 -1.2171573 4 O -0.8839030 -0.4573845 0.4827629 -0.5041331 -1.3013316 0.5779351 0.4276183 0.6753771 -1.2171573 5 O -0.8839030 -0.4573845 0.4827629 -0.5041331 -1.3013316 0.5779351 0.4276183 0.6753771 -1.2171573 6 O -1.3013316 0.5041331 0.5779351 0.4573845 -0.8839030 -0.4827629 0.6753771 -0.4276183 -1.2171573 7 O -1.3013316 0.5041331 -0.5779351 0.4573845 -0.8839030 0.4827629 -0.6753771 0.4276183 -1.2171573 8 O -0.8839030 -0.4573845 -0.4827629 -0.5041331 -1.3013316 -0.5779351 -0.4276183 -0.6753771 -1.2171573 9 K 1.4145583 0.0644336 0.0000000 -0.0644336 1.4145583 0.0000000 0.0000000 0.0000000 1.3061853 10 K 1.4145583 0.0644336 0.0000000 -0.0644336 1.4145583 0.0000000 0.0000000 0.0000000 1.3061853 11 Re 2.9559108 -0.1579309 0.0000000 0.1579309 2.9559108 0.0000000 0.0000000 0.0000000 3.5624437 12 Re 2.9559108 -0.1579309 0.0000000 0.1579309 2.9559108 0.0000000 0.0000000 0.0000000 3.5624437 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xzy) 0.00000003 (xzy) 0.00000003 (xyz) 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 ... Generalized regular grid: [ 1 9 72 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 4 4 0 ] 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: 0.70, Number of G-points: 297, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 105 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 1.513 ( -0.000 0.000 -0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.037 ( -0.000 0.000 -0.000) 0.000 2.576 ( -0.000 0.000 0.000) 0.000 2.576 ( -0.000 0.000 0.000) 0.000 3.170 ( 0.000 0.000 -0.000) 0.000 3.170 ( -0.000 0.000 0.000) 0.000 3.527 ( -0.000 0.000 0.000) 0.000 3.527 ( -0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.787 ( -0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.474 ( -0.000 0.000 -0.000) 0.000 4.474 ( -0.000 0.000 -0.000) 0.000 4.474 ( -0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.969 ( -0.000 0.000 -0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.853 ( 0.000 0.000 0.000) 0.000 10.149 ( -0.000 0.000 -0.000) 0.000 10.149 ( 0.000 0.000 0.000) 0.000 10.286 ( 0.000 0.000 -0.000) 0.000 10.433 ( 0.000 0.000 0.000) 0.000 10.573 ( -0.000 0.000 0.000) 0.000 27.182 ( 0.000 0.000 -0.000) 0.000 27.218 ( 0.000 -0.000 0.000) 0.000 27.218 ( -0.000 0.000 0.000) 0.000 27.474 ( -0.000 0.000 -0.000) 0.000 27.474 ( -0.000 0.000 0.000) 0.000 27.912 ( 0.000 0.000 0.000) 0.000 29.299 ( 0.000 0.000 0.000) 0.000 29.369 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 4.013 15.569 0.000) 16.078 0.459 ( 11.132 12.026 0.000) 16.387 0.727 ( 19.718 14.299 0.000) 24.357 1.522 ( 1.741 -0.585 -0.000) 1.837 2.006 ( -2.130 -1.243 -0.000) 2.466 2.027 ( -0.065 -1.315 -0.000) 1.317 2.583 ( -3.418 3.933 0.000) 5.210 2.794 ( 7.836 2.338 0.000) 8.178 3.091 ( -3.097 -4.011 -0.000) 5.067 3.141 ( -2.314 -0.350 -0.000) 2.340 3.487 ( 0.260 -3.435 -0.000) 3.445 3.723 ( 1.565 1.004 0.000) 1.859 3.842 ( 3.209 0.964 0.000) 3.351 4.197 ( 0.795 3.106 0.000) 3.206 4.397 ( -5.685 -3.580 -0.000) 6.718 4.426 ( 0.225 -3.044 -0.000) 3.052 4.449 ( -2.810 -0.542 -0.000) 2.862 4.522 ( 0.932 1.886 0.000) 2.104 8.571 ( 0.758 0.483 0.000) 0.899 8.983 ( 1.072 0.348 0.000) 1.127 9.296 ( -2.251 0.337 -0.000) 2.276 9.515 ( 1.832 1.719 0.000) 2.513 9.904 ( 2.269 2.578 0.000) 3.434 10.078 ( -2.809 -3.449 -0.000) 4.448 10.139 ( -0.869 -0.134 -0.000) 0.879 10.268 ( -0.621 -1.144 -0.000) 1.302 10.459 ( 0.355 1.167 0.000) 1.220 10.551 ( -0.595 -1.316 -0.000) 1.444 27.135 ( 0.080 -0.740 -0.000) 0.744 27.228 ( 0.873 0.382 0.000) 0.953 27.336 ( 3.168 4.558 0.000) 5.550 27.481 ( 0.964 -0.245 -0.000) 0.995 27.870 ( -1.946 -2.241 -0.000) 2.968 28.677 ( -2.809 -1.843 -0.000) 3.359 29.301 ( 0.139 0.043 0.000) 0.146 29.370 ( 0.026 0.079 0.000) 0.083 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 3.702 14.464 0.000) 14.931 0.877 ( 8.209 11.257 0.000) 13.932 1.283 ( 13.687 9.108 0.000) 16.440 1.557 ( 2.881 -0.545 0.000) 2.932 1.907 ( -3.681 -2.845 -0.000) 4.652 1.967 ( -1.260 -3.876 -0.000) 4.076 2.611 ( -2.325 5.306 0.000) 5.793 2.932 ( -6.004 -2.645 -0.000) 6.561 2.984 ( 7.398 -1.826 -0.000) 7.620 3.092 ( -1.201 -0.310 -0.000) 1.240 3.444 ( -0.599 0.583 0.000) 0.835 3.769 ( 1.554 0.080 0.000) 1.556 3.877 ( 1.733 -3.960 -0.000) 4.322 4.190 ( 2.673 -9.345 -0.000) 9.720 4.311 ( -6.258 11.156 0.000) 12.791 4.314 ( -4.548 -5.707 -0.000) 7.297 4.373 ( -0.053 -3.182 -0.000) 3.182 4.564 ( -1.455 2.351 0.000) 2.765 8.608 ( 2.195 0.495 0.000) 2.250 9.014 ( 0.321 0.809 0.000) 0.871 9.267 ( -1.535 1.235 0.000) 1.970 9.616 ( 3.863 2.956 0.000) 4.864 9.941 ( -3.214 -4.258 -0.000) 5.335 10.020 ( 2.684 4.020 0.000) 4.833 10.111 ( -1.765 -0.114 -0.000) 1.769 10.230 ( -0.246 -1.511 -0.000) 1.531 10.438 ( -3.731 -0.043 -0.000) 3.731 10.535 ( 1.643 -1.498 -0.000) 2.224 27.163 ( 3.915 -1.157 -0.000) 4.083 27.287 ( 1.923 3.934 0.000) 4.379 27.483 ( 1.683 5.335 0.000) 5.594 27.500 ( 1.891 -0.843 -0.000) 2.070 27.762 ( -3.079 -3.444 -0.000) 4.620 28.548 ( -5.241 -3.294 -0.000) 6.190 29.306 ( 0.513 -0.116 -0.000) 0.525 29.372 ( -0.172 0.202 0.000) 0.266 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.280 12.826 0.000) 13.239 1.185 ( 3.037 8.675 0.000) 9.192 1.496 ( 2.928 -3.743 -0.000) 4.752 1.676 ( 5.364 3.138 0.000) 6.214 1.775 ( -3.421 -3.153 -0.000) 4.653 1.827 ( -3.003 -5.778 -0.000) 6.512 2.707 ( 1.538 4.678 0.000) 4.925 2.787 ( -6.229 0.752 -0.000) 6.275 2.965 ( 3.294 -6.588 -0.000) 7.366 3.100 ( 1.312 0.827 0.000) 1.551 3.467 ( -6.072 5.777 0.000) 8.381 3.760 ( -0.998 -2.647 -0.000) 2.829 3.812 ( 4.620 -5.948 -0.000) 7.532 4.065 ( -5.927 -8.016 -0.000) 9.969 4.124 ( 3.147 -4.088 -0.000) 5.159 4.304 ( 0.039 -4.002 -0.000) 4.003 4.414 ( -3.028 7.758 0.000) 8.328 4.552 ( -3.210 1.457 0.000) 3.525 8.675 ( 3.977 0.247 0.000) 3.985 8.993 ( -3.755 0.054 -0.000) 3.755 9.318 ( 2.369 3.433 0.000) 4.171 9.765 ( 5.213 2.737 0.000) 5.888 9.796 ( -3.024 -4.494 -0.000) 5.416 10.065 ( -2.839 -0.061 -0.000) 2.840 10.155 ( 2.423 4.794 0.000) 5.371 10.213 ( 1.276 -1.005 -0.000) 1.624 10.353 ( -4.215 -0.112 -0.000) 4.216 10.519 ( 0.335 -2.548 -0.000) 2.570 27.217 ( 4.970 -1.981 -0.000) 5.350 27.475 ( 4.918 8.224 0.000) 9.582 27.495 ( -0.566 -2.240 -0.000) 2.310 27.596 ( -0.408 4.843 0.000) 4.860 27.655 ( -0.142 -2.847 -0.000) 2.851 28.349 ( -7.257 -4.791 -0.000) 8.696 29.317 ( 1.121 -0.352 -0.000) 1.175 29.369 ( -0.699 0.316 0.000) 0.767 ======================= Grid point 4 (5/105) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -2.022 4.950 0.000) 5.347 1.339 ( 1.478 4.096 0.000) 4.354 1.450 ( 2.232 0.537 0.000) 2.296 1.628 ( -2.871 -6.954 -0.000) 7.523 1.711 ( -1.549 0.624 0.000) 1.670 1.736 ( 1.674 -2.918 -0.000) 3.364 2.736 ( -4.429 4.311 0.000) 6.181 2.754 ( 3.221 -4.302 -0.000) 5.374 3.049 ( 5.144 4.934 0.000) 7.127 3.145 ( 1.347 -0.414 -0.000) 1.409 3.440 ( -5.746 5.991 0.000) 8.300 3.582 ( -3.957 -8.983 -0.000) 9.816 3.821 ( 4.790 -3.575 -0.000) 5.978 3.873 ( -3.114 -2.018 -0.000) 3.710 4.144 ( 2.127 0.852 0.000) 2.291 4.221 ( -1.032 -3.445 -0.000) 3.596 4.481 ( -0.836 3.105 0.000) 3.216 4.515 ( -1.859 0.139 -0.000) 1.865 8.771 ( 5.366 0.333 0.000) 5.376 8.890 ( -5.688 -0.544 -0.000) 5.714 9.468 ( 3.787 5.183 0.000) 6.419 9.642 ( -3.372 -5.235 -0.000) 6.227 9.903 ( 5.009 1.001 0.000) 5.108 9.998 ( -4.011 -0.035 -0.000) 4.011 10.233 ( 2.600 -0.642 -0.000) 2.678 10.281 ( -3.569 0.509 -0.000) 3.605 10.305 ( 2.455 5.292 0.000) 5.833 10.441 ( -1.482 -4.360 -0.000) 4.605 27.289 ( 4.986 -0.401 0.000) 5.002 27.395 ( -4.395 -1.738 -0.000) 4.726 27.646 ( -3.844 5.153 0.000) 6.429 27.647 ( 3.921 -3.251 -0.000) 5.093 27.772 ( 8.661 7.567 0.000) 11.501 28.083 ( -8.598 -6.657 -0.000) 10.874 29.336 ( 1.532 -0.436 -0.000) 1.593 29.356 ( -1.324 0.390 0.000) 1.380 ======================= Grid point 9 (6/105) ======================= q-point: (-0.24 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -1.042 -14.431 -1.602) 14.557 0.709 ( -3.804 -14.257 -8.037) 16.803 1.186 ( 1.325 -19.265 -12.074) 22.775 1.530 ( 1.310 1.881 -2.885) 3.685 1.922 ( -0.359 2.063 4.851) 5.283 1.961 ( 0.986 0.548 4.913) 5.041 2.713 ( -7.760 -2.957 -4.434) 9.414 2.892 ( 6.634 -7.379 -0.855) 9.959 3.001 ( 0.688 7.512 -1.889) 7.777 3.145 ( -0.813 0.300 2.888) 3.015 3.446 ( 3.109 3.671 -4.679) 6.711 3.612 ( -2.491 -0.256 5.628) 6.160 3.854 ( 1.769 -1.436 0.861) 2.436 4.098 ( -2.011 0.776 -2.232) 3.103 4.275 ( 2.106 0.825 9.189) 9.463 4.440 ( -1.049 -0.729 3.762) 3.973 4.466 ( 2.500 1.664 2.234) 3.743 4.526 ( -3.046 -1.556 1.628) 3.788 8.666 ( 0.268 1.379 -6.240) 6.396 8.972 ( 0.323 -0.473 0.475) 0.745 9.299 ( -1.661 -0.532 -0.788) 1.914 9.563 ( 0.321 -2.492 -1.607) 2.983 9.938 ( -1.284 -1.851 0.770) 2.380 9.989 ( 1.692 3.481 0.260) 3.879 10.194 ( -1.751 -0.815 0.228) 1.945 10.244 ( 1.178 -0.637 0.053) 1.340 10.446 ( -0.985 3.069 -0.875) 3.340 10.545 ( 0.973 0.849 0.396) 1.350 27.180 ( 1.382 2.006 -4.453) 5.076 27.239 ( -0.909 -1.638 1.619) 2.476 27.348 ( -1.479 -4.751 3.189) 5.910 27.484 ( 1.613 1.088 -3.406) 3.923 27.841 ( 0.431 4.980 -2.873) 5.765 28.675 ( -0.782 0.377 2.371) 2.525 29.307 ( 0.141 -0.211 -0.360) 0.441 29.368 ( -0.094 0.009 0.194) 0.216 ======================= Grid point 10 (7/105) ======================= q-point: (-0.24 -0.01 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 7.130 -10.415 -4.915) 13.545 0.515 ( 11.605 -3.503 -11.157) 16.474 0.952 ( 12.330 -14.128 -16.491) 24.972 1.560 ( -0.479 -0.686 -3.583) 3.679 1.934 ( -1.082 1.204 6.506) 6.704 1.969 ( 0.128 -0.511 5.365) 5.391 2.629 ( 2.000 3.309 -4.094) 5.631 2.840 ( 3.639 -8.072 -3.970) 9.704 3.098 ( -4.834 1.291 0.867) 5.078 3.143 ( 0.101 3.815 -1.176) 3.994 3.507 ( -3.392 -0.926 -0.701) 3.586 3.633 ( 5.145 -1.440 3.940) 6.638 3.828 ( 0.663 -2.560 1.392) 2.988 4.103 ( 2.062 0.661 8.163) 8.445 4.283 ( -2.816 0.481 5.414) 6.121 4.415 ( -1.669 0.876 2.530) 3.155 4.441 ( -0.362 0.493 2.041) 2.131 4.525 ( 2.367 -0.608 1.200) 2.722 8.695 ( -3.107 2.998 -8.420) 9.462 8.975 ( 0.404 -1.069 0.837) 1.417 9.281 ( 2.364 -0.449 0.625) 2.486 9.535 ( 1.415 -1.646 -2.044) 2.982 9.902 ( 1.914 -1.565 -0.324) 2.493 10.065 ( -3.851 2.363 2.129) 4.994 10.155 ( 0.505 1.318 -1.510) 2.067 10.242 ( 0.200 -0.898 1.383) 1.661 10.483 ( 0.251 0.602 -1.689) 1.811 10.553 ( -2.057 1.182 0.359) 2.399 27.193 ( -0.393 -1.121 2.161) 2.466 27.243 ( 0.948 0.731 -3.059) 3.284 27.304 ( 0.422 0.465 -1.251) 1.400 27.511 ( -0.683 -0.834 -2.558) 2.776 27.903 ( -2.319 1.729 -3.204) 4.317 28.648 ( -0.656 1.465 2.883) 3.299 29.304 ( -0.007 -0.068 -0.341) 0.348 29.370 ( 0.145 -0.090 0.094) 0.195 ======================= Grid point 12 (8/105) ======================= q-point: (-0.24 -0.01 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 12.496 2.481 -3.435) 13.195 0.949 ( 13.506 0.067 -2.835) 13.800 1.516 ( 3.445 1.029 -1.049) 3.746 1.559 ( 5.751 3.814 -3.259) 7.632 1.849 ( -3.127 -1.515 2.229) 4.129 1.953 ( -2.000 -0.233 2.233) 3.007 2.652 ( 4.023 -4.527 -1.444) 6.226 2.853 ( -6.667 -0.703 -4.433) 8.037 3.051 ( -0.030 1.657 4.949) 5.219 3.172 ( 3.686 -1.481 -2.516) 4.702 3.471 ( 0.545 -0.726 -6.205) 6.271 3.602 ( -2.429 5.945 9.423) 11.403 3.932 ( 0.268 4.128 4.173) 5.876 4.030 ( -1.126 -2.372 -4.967) 5.618 4.273 ( -2.938 -0.622 2.285) 3.774 4.345 ( 0.773 -7.442 7.270) 10.432 4.464 ( -3.250 2.360 0.053) 4.017 4.504 ( 1.031 -2.088 -2.330) 3.294 8.681 ( 1.847 0.612 -2.164) 2.910 8.983 ( -0.898 0.535 -0.483) 1.152 9.281 ( 0.996 -0.644 -1.669) 2.047 9.646 ( 3.313 2.609 -0.354) 4.232 9.859 ( -4.224 -0.813 1.488) 4.552 10.061 ( 3.769 1.555 -1.780) 4.449 10.144 ( 0.011 -3.641 1.358) 3.886 10.264 ( 0.372 -0.429 -1.678) 1.772 10.365 ( -4.144 0.266 -0.784) 4.225 10.543 ( -0.551 -0.000 1.397) 1.502 27.221 ( 1.252 4.407 -3.303) 5.648 27.291 ( 2.958 0.795 3.175) 4.412 27.398 ( 2.993 -1.467 4.866) 5.898 27.523 ( 0.215 2.760 -2.647) 3.830 27.736 ( -6.098 0.014 -3.926) 7.253 28.587 ( -1.557 -5.749 0.591) 5.985 29.317 ( 0.569 0.068 0.144) 0.591 29.367 ( -0.281 0.180 -0.179) 0.379 ======================= Grid point 13 (9/105) ======================= q-point: (-0.24 -0.01 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 7.412 4.097 -2.251) 8.763 1.182 ( 9.291 0.542 -3.351) 9.892 1.509 ( -3.191 1.296 1.984) 3.974 1.674 ( -1.318 0.094 3.852) 4.072 1.761 ( -2.212 -2.754 0.738) 3.609 1.898 ( 0.130 -1.723 -2.363) 2.927 2.668 ( 0.591 -1.390 -0.360) 1.553 2.774 ( 1.773 -0.035 -1.933) 2.623 3.062 ( 1.462 -1.474 5.383) 5.770 3.157 ( -2.793 1.700 -3.312) 4.654 3.395 ( -0.211 -4.677 -7.254) 8.634 3.704 ( -0.032 1.889 4.583) 4.957 3.977 ( -2.712 2.476 6.247) 7.247 3.987 ( 0.328 -2.372 -0.710) 2.497 4.160 ( -0.680 -3.004 2.736) 4.120 4.229 ( -0.539 -6.184 3.895) 7.328 4.453 ( -2.629 2.829 -1.732) 4.233 4.481 ( -0.900 -0.025 -6.355) 6.419 8.746 ( 3.103 0.799 1.255) 3.441 8.946 ( -2.311 -0.962 -2.259) 3.372 9.329 ( 2.565 1.804 -0.792) 3.234 9.765 ( -2.436 -1.990 1.257) 3.387 9.787 ( 3.034 4.699 1.502) 5.791 10.061 ( -1.669 -3.047 -0.179) 3.479 10.163 ( 3.560 1.344 -2.129) 4.361 10.264 ( 0.250 0.003 -0.394) 0.467 10.301 ( -2.177 -0.050 -2.263) 3.140 10.516 ( -1.310 -1.123 2.260) 2.844 27.345 ( -0.620 1.968 2.361) 3.136 27.355 ( 3.223 1.255 -0.104) 3.461 27.456 ( 1.845 4.050 2.952) 5.341 27.573 ( 2.519 -0.390 -0.376) 2.577 27.640 ( -4.700 3.287 -4.033) 7.011 28.412 ( -1.710 -8.671 -0.906) 8.885 29.328 ( 0.294 0.023 0.909) 0.956 29.365 ( -0.048 0.129 -0.818) 0.830 ======================= Grid point 14 (10/105) ======================= q-point: ( 0.76 -0.01 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -2.445 2.978 -0.764) 3.928 1.374 ( 5.989 2.141 -1.675) 6.577 1.477 ( 1.421 -0.825 0.224) 1.659 1.606 ( -4.303 0.766 3.259) 5.452 1.684 ( -0.260 -2.015 0.649) 2.133 1.846 ( -0.361 -4.193 -1.638) 4.516 2.626 ( -1.433 0.170 -0.554) 1.546 2.849 ( 3.595 -1.893 4.710) 6.220 3.096 ( 2.982 1.789 -0.238) 3.485 3.206 ( 0.318 5.188 -2.172) 5.633 3.318 ( 0.455 -3.579 -4.553) 5.809 3.633 ( -0.504 -4.862 2.159) 5.344 3.875 ( -3.874 -3.706 -1.357) 5.531 3.984 ( 0.229 -1.693 -1.594) 2.337 4.106 ( -0.882 -2.407 4.772) 5.417 4.154 ( 0.416 -0.502 6.777) 6.808 4.454 ( -1.163 1.897 -4.312) 4.852 4.510 ( 0.008 3.342 -4.403) 5.527 8.791 ( -1.408 -0.059 1.862) 2.335 8.902 ( 2.358 -1.100 -2.343) 3.501 9.431 ( 1.857 3.523 1.327) 4.198 9.666 ( -1.590 -3.731 -0.302) 4.067 9.913 ( -0.888 2.144 2.812) 3.646 9.991 ( 0.743 -0.200 -1.213) 1.437 10.244 ( -1.747 0.600 -1.652) 2.478 10.250 ( 2.106 1.934 -1.506) 3.232 10.318 ( 2.736 0.065 -0.898) 2.881 10.445 ( -2.075 -2.736 2.249) 4.105 27.314 ( -2.996 -0.226 2.187) 3.716 27.416 ( 1.492 -2.524 -1.419) 3.257 27.451 ( -3.931 4.606 -2.026) 6.385 27.650 ( -3.255 3.836 -0.414) 5.048 27.783 ( 8.776 5.532 4.869) 11.459 28.203 ( -0.023 -10.082 -2.953) 10.506 29.323 ( -0.930 0.197 0.248) 0.983 29.373 ( 0.920 -0.302 -0.164) 0.982 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.76 -0.01 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -2.002 5.751 1.014) 6.173 1.433 ( 1.747 -1.247 1.941) 2.894 1.531 ( -1.864 0.311 4.395) 4.784 1.579 ( 1.736 -4.620 0.363) 4.948 1.641 ( 2.536 0.984 -2.367) 3.606 1.796 ( 0.863 -0.020 -4.076) 4.167 2.650 ( 0.965 2.641 1.252) 3.078 2.827 ( 1.136 -3.223 3.270) 4.730 3.079 ( -4.063 -3.564 0.187) 5.408 3.253 ( 2.867 -3.314 -6.426) 7.778 3.419 ( 4.148 6.623 5.642) 9.639 3.621 ( 5.575 -1.664 0.794) 5.872 3.741 ( -5.782 0.780 -5.098) 7.748 3.931 ( 0.253 -1.393 -2.788) 3.127 4.097 ( -0.723 -0.013 1.614) 1.768 4.132 ( 0.537 -0.538 3.876) 3.950 4.504 ( 0.547 3.107 -0.222) 3.163 4.572 ( 1.476 0.939 -2.127) 2.754 8.721 ( -2.601 -1.273 -1.114) 3.103 8.973 ( 3.782 0.457 0.600) 3.857 9.453 ( -3.252 -1.440 2.900) 4.589 9.635 ( 2.894 1.143 -2.351) 3.900 9.839 ( -4.305 -1.260 0.255) 4.493 10.060 ( 2.599 0.787 1.571) 3.137 10.233 ( -0.486 0.208 -3.363) 3.404 10.309 ( -1.090 0.186 2.055) 2.334 10.354 ( -0.402 -0.401 0.105) 0.577 10.379 ( 2.817 -0.089 0.039) 2.819 27.231 ( -3.460 -1.213 -2.190) 4.271 27.389 ( -2.906 2.738 -0.044) 3.992 27.510 ( -0.091 3.799 -1.215) 3.990 27.616 ( -4.677 0.256 1.307) 4.863 27.866 ( -0.089 -7.805 4.725) 9.124 28.206 ( 10.050 2.078 -2.385) 10.536 29.308 ( -0.871 0.201 -0.350) 0.960 29.382 ( 0.594 -0.347 0.203) 0.718 ======================= Grid point 18 (12/105) ======================= q-point: (-0.24 -0.01 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -3.150 -6.352 4.249) 8.266 1.348 ( -1.085 -10.447 -0.595) 10.520 1.397 ( -3.033 1.218 -2.534) 4.135 1.648 ( 3.664 2.645 3.142) 5.504 1.759 ( 3.163 2.152 0.927) 3.936 1.814 ( -0.294 0.408 -3.810) 3.844 2.746 ( 1.310 4.379 0.772) 4.636 2.823 ( 5.501 -3.514 3.160) 7.252 2.948 ( -2.672 -0.808 -3.593) 4.550 3.225 ( 1.944 -4.500 -1.911) 5.261 3.468 ( -5.247 0.155 1.431) 5.441 3.710 ( -3.587 3.173 -1.897) 5.151 3.738 ( 5.980 0.858 1.141) 6.148 4.008 ( 3.285 4.612 -0.123) 5.663 4.055 ( -1.266 0.739 -2.833) 3.190 4.204 ( 4.023 1.991 3.551) 5.723 4.551 ( -0.271 0.359 1.297) 1.373 4.595 ( 1.179 -0.872 0.848) 1.694 8.666 ( -0.736 -0.953 -2.215) 2.521 9.024 ( 0.404 -0.024 1.079) 1.152 9.355 ( -1.311 -2.171 -0.306) 2.555 9.722 ( -3.025 -2.194 0.556) 3.778 9.745 ( 1.364 3.835 -0.592) 4.113 10.104 ( 1.533 -0.919 2.523) 3.092 10.219 ( -0.558 -1.325 -1.440) 2.035 10.236 ( 0.378 -2.417 -2.574) 3.551 10.400 ( -1.888 4.054 1.652) 4.767 10.430 ( 2.855 -0.075 0.304) 2.872 27.159 ( -1.998 -0.459 -3.250) 3.843 27.398 ( -3.536 4.098 -0.730) 5.461 27.473 ( -5.053 -3.009 1.243) 6.011 27.607 ( 1.218 4.168 -1.488) 4.590 27.690 ( -0.818 -8.135 4.010) 9.106 28.450 ( 8.548 2.607 -0.057) 8.937 29.301 ( -0.158 0.151 -0.401) 0.457 29.382 ( -0.097 -0.173 0.069) 0.210 ======================= Grid point 19 (13/105) ======================= q-point: (-0.24 -0.01 -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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -5.527 -14.355 3.622) 15.803 1.059 ( -2.845 -14.196 -4.386) 15.128 1.427 ( 0.069 0.482 -4.781) 4.805 1.562 ( -2.386 -9.429 -4.684) 10.796 1.854 ( 1.456 3.765 4.270) 5.876 1.894 ( 2.012 3.275 1.541) 4.141 2.844 ( -0.479 3.411 -1.734) 3.856 2.865 ( 7.893 -5.557 2.826) 10.058 2.932 ( -2.813 0.999 -4.531) 5.426 3.153 ( -1.708 -1.320 4.172) 4.698 3.385 ( -2.029 1.240 -5.216) 5.733 3.673 ( -4.061 0.986 1.630) 4.485 3.832 ( 1.920 0.448 1.133) 2.274 4.068 ( 0.240 3.188 -5.102) 6.021 4.183 ( 3.375 3.357 6.238) 7.847 4.343 ( 4.921 2.620 2.310) 6.035 4.505 ( -1.034 -2.701 3.273) 4.368 4.584 ( -1.029 -0.709 1.930) 2.300 8.651 ( 0.450 -0.470 -3.698) 3.755 8.998 ( -1.402 -0.748 0.642) 1.715 9.324 ( -0.192 -0.459 -1.385) 1.472 9.622 ( -1.673 -2.515 -0.426) 3.050 9.859 ( 1.059 4.970 0.587) 5.115 10.050 ( -0.818 -4.500 1.631) 4.856 10.210 ( 0.798 -0.138 -0.637) 1.030 10.231 ( 1.575 -1.065 -2.262) 2.955 10.420 ( -3.053 3.662 1.048) 4.882 10.492 ( 2.563 0.737 0.464) 2.708 27.140 ( -0.077 0.618 -3.844) 3.894 27.317 ( -3.247 -2.679 1.071) 4.343 27.429 ( -0.427 1.598 -1.244) 2.069 27.517 ( -2.354 -6.219 3.552) 7.538 27.725 ( 0.828 5.502 -1.895) 5.878 28.618 ( 4.675 1.399 0.883) 4.959 29.304 ( 0.294 -0.034 -0.334) 0.446 29.374 ( -0.394 -0.054 0.069) 0.404 ======================= Grid point 20 (14/105) ======================= q-point: (-0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -1.150 -9.139 -2.055) 9.438 1.298 ( -0.491 -5.628 -1.465) 5.836 1.378 ( 0.854 6.592 -2.228) 7.010 1.736 ( -1.435 1.694 0.285) 2.239 1.788 ( 0.798 -2.561 -1.050) 2.880 1.851 ( 1.355 0.185 2.500) 2.850 2.834 ( -3.546 -0.601 3.901) 5.306 2.869 ( 0.987 1.681 -4.020) 4.468 2.934 ( 0.119 -0.747 0.802) 1.103 3.233 ( 7.504 -3.472 0.159) 8.270 3.330 ( -5.179 4.589 -1.860) 7.165 3.717 ( -1.437 -2.769 -3.852) 4.957 3.807 ( 1.240 1.160 2.258) 2.825 4.078 ( 0.614 0.966 1.767) 2.105 4.242 ( -0.081 -2.491 -0.365) 2.519 4.269 ( -1.828 1.557 4.056) 4.714 4.385 ( 1.046 0.214 0.674) 1.262 4.559 ( 0.412 -0.715 0.146) 0.838 8.718 ( -0.161 0.430 -1.332) 1.409 8.984 ( 0.241 -0.311 0.267) 0.476 9.336 ( -0.458 0.175 -0.850) 0.981 9.653 ( 0.188 -0.446 -0.826) 0.957 9.791 ( -0.149 1.377 0.853) 1.626 10.125 ( 1.522 -1.877 -0.705) 2.517 10.197 ( -1.711 -2.686 0.691) 3.259 10.282 ( -0.754 4.189 0.113) 4.258 10.318 ( 0.757 -0.290 -0.372) 0.892 10.495 ( 0.291 0.516 0.338) 0.682 27.223 ( 0.426 -0.627 0.793) 1.098 27.259 ( -0.772 0.118 -1.440) 1.638 27.451 ( -2.624 -3.553 2.906) 5.288 27.510 ( 2.140 0.701 -1.681) 2.810 27.693 ( 1.194 4.078 -2.336) 4.848 28.618 ( -0.302 -0.045 1.105) 1.146 29.322 ( -0.000 -0.094 -0.174) 0.198 29.361 ( -0.026 0.038 0.157) 0.163 ======================= Grid point 21 (15/105) ======================= q-point: (-0.47 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 3.778 -9.440 -5.170) 11.407 1.093 ( -0.895 -10.943 -10.187) 14.977 1.532 ( 1.647 3.814 -0.688) 4.211 1.645 ( 0.300 -4.991 -4.530) 6.747 1.800 ( -0.857 0.571 2.584) 2.782 1.876 ( 0.722 -0.623 5.496) 5.578 2.682 ( -5.332 -1.845 -1.149) 5.758 2.935 ( -1.393 3.410 -0.732) 3.756 2.965 ( 2.768 2.090 0.188) 3.473 3.254 ( 0.573 -2.375 -5.195) 5.741 3.465 ( 7.007 3.056 3.605) 8.452 3.597 ( -2.642 -1.968 -5.224) 6.176 3.842 ( -0.570 0.569 3.625) 3.714 4.077 ( -5.067 -2.173 2.785) 6.177 4.133 ( 1.411 -0.901 8.472) 8.636 4.236 ( -4.846 1.608 3.121) 5.984 4.454 ( 2.392 0.758 0.899) 2.666 4.546 ( 0.826 -2.173 -1.170) 2.603 8.726 ( -0.476 1.158 -2.099) 2.445 8.991 ( 0.887 -0.394 -0.259) 1.005 9.326 ( -0.061 -0.223 -2.862) 2.872 9.662 ( 2.097 -1.528 -1.225) 2.869 9.823 ( -1.241 3.240 2.166) 4.090 10.082 ( 0.023 -5.085 0.026) 5.085 10.140 ( -0.470 0.936 -1.570) 1.888 10.293 ( -0.630 -0.083 -0.674) 0.926 10.378 ( 0.613 3.293 -0.354) 3.369 10.509 ( -0.919 0.991 1.628) 2.116 27.226 ( 2.071 -2.086 3.124) 4.290 27.263 ( 1.267 -1.042 2.315) 2.838 27.342 ( -0.489 -1.493 -2.758) 3.174 27.560 ( 1.052 0.110 -0.996) 1.453 27.841 ( 1.654 6.313 -6.350) 9.106 28.552 ( -5.303 -0.217 2.972) 6.083 29.313 ( -0.481 -0.161 0.226) 0.555 29.370 ( 0.702 0.043 -0.142) 0.718 ======================= Grid point 22 (16/105) ======================= q-point: (-0.47 -0.03 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 6.199 -7.611 -5.525) 11.265 1.018 ( 9.680 -4.096 -10.558) 14.898 1.560 ( 2.377 -2.122 -6.249) 7.014 1.605 ( 1.167 -2.556 -1.289) 3.091 1.772 ( -1.769 0.121 3.731) 4.131 1.869 ( -0.550 0.043 5.220) 5.249 2.637 ( 0.357 2.969 -1.137) 3.200 2.937 ( -2.820 1.848 1.735) 3.792 3.082 ( 1.885 1.153 -1.251) 2.540 3.155 ( -2.797 -3.788 -6.575) 8.087 3.489 ( -1.341 -0.556 -0.171) 1.461 3.730 ( 6.790 3.049 -1.387) 7.571 3.811 ( -0.792 -0.381 7.207) 7.260 3.934 ( -2.431 -3.491 2.517) 4.943 4.147 ( -2.516 1.933 0.881) 3.293 4.223 ( -1.183 4.471 4.814) 6.675 4.460 ( 1.198 -2.732 2.472) 3.874 4.525 ( 0.566 -1.386 2.884) 3.249 8.743 ( -0.763 1.436 -3.757) 4.094 8.986 ( 0.038 -1.136 1.055) 1.550 9.344 ( 1.319 0.523 -3.414) 3.697 9.661 ( 2.103 -2.691 -1.845) 3.882 9.858 ( -2.155 3.056 1.727) 4.119 9.995 ( 0.083 -2.721 1.550) 3.133 10.185 ( 1.889 1.682 -2.017) 3.235 10.270 ( -0.426 -1.145 -1.292) 1.778 10.444 ( -0.407 3.122 0.035) 3.149 10.481 ( -2.754 -0.270 2.018) 3.425 27.193 ( 0.841 -2.356 1.195) 2.773 27.309 ( 4.561 -0.557 5.080) 6.850 27.365 ( 2.602 -0.498 -5.062) 5.713 27.543 ( -1.998 -0.916 -1.157) 2.484 27.899 ( -4.641 0.945 -6.281) 7.866 28.494 ( -2.409 4.215 4.077) 6.340 29.306 ( -0.107 0.108 0.041) 0.157 29.380 ( 0.352 -0.259 -0.227) 0.493 ======================= Grid point 23 (17/105) ======================= q-point: (-0.47 -0.03 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 11.566 -3.529 -3.728) 12.654 1.175 ( 10.233 -2.286 -6.834) 12.515 1.496 ( -5.275 -0.555 -1.711) 5.574 1.673 ( 7.142 -0.051 -4.858) 8.638 1.763 ( -1.203 1.758 3.632) 4.210 1.846 ( -1.323 -0.307 3.090) 3.375 2.790 ( 2.895 6.824 4.232) 8.535 2.898 ( -3.919 1.504 -1.674) 4.519 2.992 ( 0.743 -7.743 -0.803) 7.820 3.101 ( -1.425 1.159 -1.574) 2.419 3.485 ( -1.136 -0.897 -4.144) 4.389 3.706 ( 0.335 -5.132 -4.550) 6.867 3.799 ( -1.202 2.067 1.922) 3.068 4.018 ( 3.192 4.277 8.902) 10.379 4.172 ( 0.384 2.488 -4.699) 5.331 4.286 ( -1.926 4.552 3.158) 5.866 4.418 ( 0.864 -4.430 5.559) 7.161 4.525 ( 1.567 0.009 3.932) 4.232 8.738 ( -1.340 0.255 -4.626) 4.823 8.973 ( 0.729 -0.535 1.860) 2.069 9.359 ( -0.221 -0.559 -1.953) 2.043 9.651 ( 1.466 -1.749 -2.463) 3.357 9.834 ( -3.430 0.867 1.726) 3.936 10.022 ( 3.854 0.975 0.971) 4.093 10.219 ( -0.177 -1.294 -0.339) 1.350 10.273 ( 1.584 1.405 -1.235) 2.451 10.391 ( -4.193 -1.404 1.605) 4.704 10.485 ( -0.666 1.912 0.057) 2.026 27.193 ( 1.573 -0.254 -0.480) 1.664 27.340 ( -0.230 -5.150 -3.239) 6.088 27.390 ( 4.475 -0.415 3.487) 5.688 27.504 ( -0.407 0.536 -1.544) 1.684 27.776 ( -6.878 0.700 -3.264) 7.645 28.578 ( -0.089 4.409 3.208) 5.454 29.313 ( 0.176 0.463 -0.468) 0.681 29.372 ( -0.073 -0.719 0.177) 0.744 ======================= Grid point 25 (18/105) ======================= q-point: ( 0.53 -0.03 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -7.412 2.079 0.037) 7.698 1.317 ( -3.291 1.575 -0.538) 3.688 1.396 ( 3.604 2.585 4.083) 6.028 1.683 ( 2.704 -4.895 -2.981) 6.337 1.781 ( -1.170 -1.883 -1.301) 2.571 1.858 ( -2.308 2.147 2.664) 4.127 2.810 ( 2.612 -3.614 0.479) 4.485 2.841 ( -0.007 -2.945 -3.608) 4.658 2.988 ( 1.444 2.988 2.281) 4.027 3.130 ( -4.428 -0.523 -2.192) 4.968 3.460 ( 1.284 5.539 3.944) 6.919 3.703 ( 1.364 -1.184 -0.281) 1.828 3.791 ( -0.939 -0.851 1.765) 2.173 4.046 ( -0.457 -2.531 -2.833) 3.826 4.177 ( 0.302 -4.128 7.658) 8.705 4.262 ( 0.670 -3.856 -2.502) 4.645 4.426 ( -0.275 4.368 -5.415) 6.963 4.556 ( -1.392 -0.049 -3.021) 3.327 8.719 ( 0.614 0.009 2.947) 3.011 8.986 ( -0.584 0.303 -1.898) 2.009 9.348 ( 0.758 0.664 0.525) 1.136 9.675 ( -0.971 2.362 1.618) 3.023 9.782 ( 1.737 -1.005 -0.163) 2.013 10.088 ( -2.637 -1.982 -1.049) 3.461 10.227 ( -1.214 1.123 0.120) 1.659 10.279 ( 2.653 -0.876 -0.600) 2.857 10.326 ( 0.968 1.420 -0.926) 1.952 10.478 ( -0.075 -1.356 0.714) 1.535 27.222 ( -1.330 0.362 2.863) 3.178 27.323 ( 1.460 5.397 1.227) 5.724 27.430 ( 0.400 -1.902 0.613) 2.038 27.553 ( -4.251 3.755 -3.465) 6.646 27.663 ( 3.618 -1.788 0.879) 4.131 28.571 ( 0.519 -5.017 -1.458) 5.250 29.316 ( -0.109 -0.442 0.638) 0.784 29.370 ( 0.102 0.671 -0.347) 0.762 ======================= Grid point 26 (19/105) ======================= q-point: ( 0.53 -0.03 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -9.736 5.136 1.283) 11.082 1.218 ( -10.028 2.277 6.793) 12.324 1.518 ( 3.867 1.329 1.590) 4.387 1.652 ( 0.718 -1.704 0.070) 1.850 1.742 ( 0.939 -0.664 -2.667) 2.905 1.855 ( -0.310 0.335 -0.404) 0.610 2.671 ( -2.701 -4.753 -2.069) 5.845 2.869 ( 3.976 -1.570 1.997) 4.718 3.082 ( 3.681 1.085 4.528) 5.936 3.131 ( -2.615 3.639 -2.017) 4.914 3.471 ( 0.361 -1.059 0.663) 1.300 3.739 ( 2.378 -3.490 -0.600) 4.265 3.844 ( 0.853 7.062 4.373) 8.350 3.933 ( -3.491 -3.815 -8.020) 9.543 4.111 ( 0.729 -3.234 1.857) 3.800 4.192 ( 2.006 -4.745 -1.842) 5.471 4.498 ( -2.292 2.888 -2.828) 4.646 4.525 ( 0.247 0.536 -4.249) 4.290 8.731 ( 0.458 -0.252 3.904) 3.939 8.984 ( 0.071 0.319 -2.173) 2.197 9.363 ( -0.545 0.138 2.617) 2.677 9.698 ( -1.551 2.497 1.080) 3.131 9.810 ( 2.419 -1.173 0.244) 2.700 10.015 ( -1.883 0.212 -2.258) 2.948 10.219 ( -1.341 -0.992 1.197) 2.053 10.267 ( -0.219 0.722 1.647) 1.812 10.413 ( 3.198 0.380 -2.713) 4.211 10.442 ( 0.548 -2.170 0.328) 2.262 27.209 ( -1.006 1.386 1.641) 2.372 27.388 ( -3.658 1.358 -1.646) 4.235 27.459 ( -5.958 3.887 -1.160) 7.208 27.493 ( 2.559 0.398 0.892) 2.739 27.779 ( 7.154 0.864 4.625) 8.562 28.459 ( 1.386 -7.259 -3.049) 7.995 29.307 ( -0.203 -0.088 0.167) 0.277 29.382 ( 0.087 0.282 0.152) 0.332 ======================= Grid point 27 (20/105) ======================= q-point: ( 0.53 -0.03 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -4.917 8.464 2.316) 10.059 1.127 ( -5.192 7.345 10.396) 13.747 1.554 ( -0.120 -2.354 0.646) 2.444 1.653 ( -0.093 0.994 1.531) 1.827 1.770 ( 2.166 -0.635 -2.196) 3.149 1.871 ( 1.026 0.700 -3.999) 4.187 2.618 ( 1.378 1.013 0.892) 1.929 2.889 ( 2.916 -3.220 0.249) 4.351 3.023 ( -3.329 -2.662 2.096) 4.750 3.237 ( 2.069 2.901 5.164) 6.274 3.496 ( 2.692 -0.256 -0.160) 2.709 3.665 ( -6.465 -2.367 0.847) 6.936 3.807 ( 1.744 -0.534 -9.644) 9.815 4.003 ( 2.286 2.181 -1.077) 3.338 4.123 ( 3.821 -0.603 -0.645) 3.922 4.158 ( 1.726 -1.718 -4.388) 5.019 4.482 ( -0.937 0.093 -1.617) 1.872 4.561 ( -0.591 1.761 1.092) 2.154 8.723 ( -0.193 -0.589 1.324) 1.462 8.997 ( 0.427 0.033 0.237) 0.490 9.341 ( -1.461 0.329 3.396) 3.711 9.710 ( -2.172 2.155 -0.473) 3.096 9.797 ( 0.890 -2.962 -0.941) 3.233 10.051 ( 1.984 2.541 -0.579) 3.276 10.169 ( -2.264 0.534 2.675) 3.545 10.283 ( 0.293 0.062 0.975) 1.020 10.384 ( 0.051 -2.873 0.711) 2.960 10.478 ( 2.181 -0.587 -2.763) 3.568 27.248 ( 0.384 3.072 -1.451) 3.419 27.312 ( -4.645 -0.149 -5.607) 7.282 27.386 ( -4.418 1.875 3.685) 6.051 27.562 ( 0.755 0.844 0.332) 1.180 27.852 ( 0.943 -4.149 7.091) 8.270 28.432 ( 6.503 -1.918 -2.863) 7.360 29.307 ( 0.085 0.193 -0.473) 0.518 29.381 ( -0.347 -0.099 0.440) 0.569 ======================= Grid point 28 (21/105) ======================= q-point: ( 0.53 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -1.534 8.056 2.818) 8.671 1.291 ( 0.290 8.440 5.090) 9.860 1.421 ( -3.114 -6.906 -0.146) 7.577 1.677 ( 3.174 -1.054 1.086) 3.517 1.793 ( 1.253 -0.248 -0.318) 1.316 1.883 ( -1.537 -0.076 -3.522) 3.844 2.739 ( 4.737 3.716 -1.567) 6.221 2.868 ( 1.406 -2.434 6.385) 6.976 2.962 ( -1.620 0.858 -3.653) 4.087 3.228 ( 1.214 -4.515 3.874) 6.072 3.440 ( -8.983 0.475 -4.076) 9.876 3.653 ( 3.982 3.299 5.415) 7.487 3.821 ( 0.501 -1.530 -4.480) 4.761 4.062 ( 2.360 -1.469 -0.495) 2.824 4.170 ( 3.522 0.710 -10.088) 10.709 4.238 ( 3.555 1.706 0.495) 3.974 4.436 ( -3.276 -0.814 2.657) 4.296 4.570 ( -0.486 0.182 2.512) 2.565 8.714 ( 0.129 -0.126 -0.487) 0.519 8.993 ( -0.495 -0.150 1.278) 1.379 9.334 ( -0.330 0.591 1.402) 1.557 9.682 ( -2.770 0.397 -0.249) 2.809 9.776 ( 1.415 -1.239 -1.255) 2.261 10.120 ( 2.135 -0.926 0.626) 2.410 10.189 ( -1.079 5.299 1.661) 5.657 10.269 ( 0.402 -2.384 -0.084) 2.420 10.335 ( -0.779 -1.119 0.803) 1.582 10.489 ( 0.894 -0.917 -1.459) 1.941 27.241 ( -1.657 -0.477 -4.207) 4.546 27.288 ( -2.946 1.836 0.093) 3.472 27.394 ( 1.618 3.030 -0.506) 3.472 27.566 ( -2.163 0.910 0.627) 2.429 27.713 ( -1.188 -6.426 5.150) 8.320 28.560 ( 5.481 0.533 -0.665) 5.547 29.316 ( 0.450 0.116 -0.568) 0.734 29.369 ( -0.657 -0.031 0.338) 0.740 ======================= Grid point 29 (22/105) ======================= q-point: ( 0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 2.502 14.750 -1.318) 15.018 0.991 ( 3.596 14.558 5.075) 15.831 1.467 ( -3.687 -1.893 2.549) 4.866 1.527 ( 0.935 12.490 4.788) 13.409 1.866 ( 0.160 -3.786 -2.924) 4.787 1.934 ( -1.844 -2.170 -2.867) 4.041 2.774 ( 6.787 2.684 3.155) 7.951 2.871 ( 1.405 -4.890 2.999) 5.906 2.998 ( -3.448 1.753 -3.165) 4.998 3.170 ( -3.291 3.893 -2.571) 5.709 3.389 ( -3.156 -1.899 2.786) 4.618 3.608 ( 3.030 -0.198 -2.719) 4.076 3.866 ( -2.327 -0.196 -0.252) 2.349 4.066 ( 0.962 -2.077 5.603) 6.052 4.245 ( -2.854 -2.923 -4.060) 5.760 4.419 ( -2.835 -2.730 -1.113) 4.090 4.460 ( 4.030 0.833 -6.613) 7.789 4.549 ( 2.351 0.959 -0.691) 2.631 8.666 ( -0.880 1.080 3.111) 3.409 8.979 ( 0.354 0.203 0.044) 0.410 9.305 ( 1.512 0.428 1.331) 2.060 9.613 ( -0.696 2.613 0.390) 2.732 9.868 ( 0.060 -4.790 -0.542) 4.821 10.043 ( -0.267 4.686 0.192) 4.698 10.202 ( 1.717 0.175 -1.527) 2.304 10.261 ( -0.909 1.024 2.117) 2.521 10.371 ( 1.473 -4.445 0.297) 4.692 10.530 ( -1.305 -0.813 -0.858) 1.761 27.159 ( -2.020 -0.131 4.137) 4.605 27.278 ( 0.447 2.034 -3.274) 3.880 27.448 ( 0.648 4.010 -3.071) 5.092 27.468 ( -0.090 0.607 2.271) 2.352 27.735 ( -0.215 -5.635 2.508) 6.172 28.656 ( 0.946 -1.419 -0.964) 1.960 29.312 ( -0.394 0.329 0.286) 0.587 29.367 ( 0.253 -0.138 -0.180) 0.339 ======================= Grid point 30 (23/105) ======================= q-point: ( 0.29 -0.04 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 3.657 9.839 -4.368) 11.369 1.304 ( 2.824 9.054 1.686) 9.633 1.360 ( 0.455 -2.075 0.218) 2.135 1.724 ( -3.374 2.710 0.315) 4.339 1.772 ( 1.469 -1.874 0.200) 2.389 1.838 ( -2.719 -2.465 -0.339) 3.686 2.761 ( -0.577 -3.729 0.947) 3.890 2.895 ( 1.504 -2.003 5.729) 6.253 2.973 ( -6.203 3.644 -5.993) 9.364 3.209 ( 2.210 4.424 -4.184) 6.478 3.386 ( 2.659 0.918 3.678) 4.630 3.663 ( 1.166 0.100 0.787) 1.410 3.821 ( -2.199 -0.674 -1.149) 2.571 4.021 ( 0.070 -1.784 6.522) 6.762 4.093 ( -3.618 -5.183 -1.500) 6.496 4.291 ( -4.484 -2.943 -0.515) 5.388 4.528 ( 2.220 -0.446 -4.303) 4.862 4.599 ( 0.846 0.674 -1.162) 1.588 8.671 ( -1.079 1.548 1.776) 2.592 9.008 ( 1.590 0.253 -0.414) 1.663 9.338 ( 0.767 1.076 0.369) 1.372 9.669 ( 1.709 2.297 -0.851) 2.986 9.776 ( -1.226 -3.421 0.768) 3.714 10.122 ( -0.402 2.481 -2.196) 3.338 10.218 ( -0.363 1.434 0.411) 1.536 10.253 ( -1.260 0.621 3.000) 3.313 10.344 ( 3.577 -3.868 -0.984) 5.359 10.481 ( -2.240 -0.286 -0.620) 2.342 27.140 ( -0.144 0.580 3.791) 3.838 27.331 ( 2.732 -1.670 -0.886) 3.323 27.420 ( 0.474 0.926 0.360) 1.101 27.606 ( 1.903 -2.036 -0.841) 2.911 27.671 ( 0.734 5.156 -2.160) 5.638 28.583 ( -4.800 -2.233 0.146) 5.296 29.305 ( -0.558 0.044 0.414) 0.696 29.375 ( 0.595 -0.020 -0.145) 0.612 ======================= Grid point 31 (24/105) ======================= q-point: (-0.71 -0.04 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 2.084 -5.777 -3.048) 6.856 1.444 ( 0.860 -2.512 -6.764) 7.266 1.477 ( 2.685 5.386 -0.663) 6.055 1.630 ( -3.479 3.407 -0.942) 4.960 1.722 ( -4.401 -1.395 1.257) 4.785 1.801 ( 0.282 -1.652 5.907) 6.140 2.681 ( -1.629 -2.222 -1.835) 3.310 2.853 ( -1.740 0.516 0.859) 2.008 3.014 ( 1.870 4.733 -3.268) 6.048 3.303 ( -1.455 3.196 1.175) 3.703 3.471 ( 0.171 0.359 -0.880) 0.965 3.632 ( 2.411 -4.438 4.349) 6.665 3.740 ( -5.039 0.901 -2.530) 5.710 3.946 ( -1.402 -1.331 2.936) 3.516 4.060 ( 2.607 0.755 3.638) 4.539 4.168 ( -2.899 -1.385 -2.066) 3.820 4.515 ( -0.240 -2.882 -1.726) 3.368 4.595 ( -0.783 -1.251 0.870) 1.713 8.693 ( 0.231 1.833 1.038) 2.119 9.019 ( -0.721 -0.616 -0.701) 1.179 9.397 ( 2.315 1.935 -2.353) 3.826 9.683 ( -1.766 -2.332 2.845) 4.080 9.768 ( 2.753 2.433 -1.459) 3.953 10.105 ( -2.118 -0.775 -2.041) 3.042 10.229 ( 0.055 -0.713 2.577) 2.674 10.278 ( 1.637 0.508 -1.935) 2.584 10.342 ( 1.005 -0.022 0.966) 1.395 10.437 ( -2.861 0.540 -0.121) 2.914 27.178 ( 1.936 1.406 3.546) 4.277 27.316 ( 3.465 -4.242 0.810) 5.537 27.485 ( 3.245 -1.390 -2.605) 4.387 27.565 ( 0.190 -0.404 1.067) 1.157 27.856 ( 1.226 8.647 -4.941) 10.035 28.393 ( -8.855 -3.065 1.803) 9.542 29.298 ( 0.033 -0.083 0.471) 0.479 29.386 ( 0.277 0.175 -0.207) 0.387 ======================= Grid point 33 (25/105) ======================= q-point: (-0.71 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 3.306 -4.122 -2.670) 5.921 1.401 ( 2.442 -2.930 -5.183) 6.435 1.537 ( -0.025 -0.320 -0.628) 0.706 1.587 ( -5.701 -0.145 2.392) 6.185 1.691 ( -0.985 2.346 0.793) 2.665 1.817 ( 2.537 1.961 2.881) 4.310 2.624 ( -1.146 0.067 -1.429) 1.833 2.879 ( 0.261 1.882 -2.336) 3.011 3.117 ( 0.530 0.333 -0.974) 1.158 3.258 ( -4.594 -4.782 -2.306) 7.020 3.360 ( -3.675 2.975 5.096) 6.952 3.643 ( -0.404 1.228 2.487) 2.803 3.786 ( 4.351 4.464 -0.274) 6.239 3.975 ( 1.170 2.024 1.965) 3.054 4.098 ( -0.162 0.909 -3.455) 3.576 4.153 ( 0.761 0.963 -3.434) 3.647 4.440 ( 0.035 -2.871 3.094) 4.221 4.522 ( -1.088 -4.135 3.823) 5.735 8.752 ( 1.723 1.947 -0.217) 2.608 8.963 ( -3.014 -0.651 0.275) 3.095 9.446 ( 0.343 -1.511 -4.055) 4.341 9.650 ( 0.064 2.022 3.767) 4.276 9.864 ( 2.969 1.107 -2.457) 4.010 10.026 ( -2.025 -2.776 -1.269) 3.663 10.217 ( 1.034 -0.959 1.761) 2.256 10.277 ( -0.639 -0.970 1.251) 1.707 10.380 ( -3.392 0.260 0.099) 3.403 10.409 ( 1.391 2.840 -0.888) 3.284 27.251 ( 2.977 0.462 0.195) 3.019 27.336 ( 5.637 -2.379 2.610) 6.652 27.472 ( -1.439 0.034 -0.388) 1.491 27.582 ( 3.018 -3.145 -0.935) 4.458 27.937 ( -6.270 -1.047 -7.523) 9.849 28.237 ( -3.754 5.876 5.488) 8.874 29.306 ( 0.714 0.035 0.156) 0.732 29.388 ( -0.433 0.110 -0.167) 0.477 ======================= Grid point 34 (26/105) ======================= q-point: (-0.71 -0.04 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 1.515 -0.699 -1.301) 2.116 1.340 ( -4.648 -1.485 1.261) 5.040 1.490 ( -3.601 -0.141 1.192) 3.796 1.597 ( 5.360 0.466 -3.388) 6.358 1.718 ( 1.560 1.836 -0.761) 2.526 1.902 ( 0.824 1.238 1.181) 1.899 2.651 ( 0.775 2.383 2.582) 3.598 2.864 ( -4.354 0.407 -3.077) 5.347 3.087 ( -0.496 -5.431 -0.140) 5.456 3.106 ( 0.025 1.555 -1.266) 2.005 3.413 ( -1.538 5.573 6.927) 9.023 3.702 ( 0.447 1.610 -2.065) 2.656 3.939 ( 1.346 -1.537 -5.518) 5.884 3.963 ( 2.466 0.533 0.402) 2.555 4.166 ( -0.995 1.841 -3.033) 3.685 4.200 ( 2.227 5.820 -3.402) 7.100 4.417 ( 0.900 -4.887 4.723) 6.856 4.451 ( 2.104 0.539 6.374) 6.734 8.792 ( -1.139 -0.058 -3.384) 3.571 8.921 ( -0.166 0.834 3.389) 3.494 9.379 ( -2.432 -1.862 -0.580) 3.117 9.719 ( 1.946 1.560 0.163) 2.499 9.841 ( -2.029 -4.360 -3.734) 6.089 10.020 ( 2.309 2.605 0.979) 3.616 10.228 ( -2.676 -0.661 2.609) 3.796 10.238 ( 1.509 0.233 1.206) 1.946 10.315 ( -2.529 -0.428 0.829) 2.696 10.485 ( 1.653 1.517 -1.924) 2.956 27.294 ( 3.323 -2.825 -1.858) 4.741 27.405 ( 1.296 0.595 0.614) 1.553 27.457 ( -1.059 0.168 0.299) 1.113 27.548 ( 3.619 -5.059 0.694) 6.258 27.698 ( -8.609 -2.939 -2.644) 9.473 28.390 ( 0.699 8.857 2.477) 9.223 29.323 ( 0.658 0.195 -0.523) 0.863 29.373 ( -0.688 -0.349 0.343) 0.844 ======================= Grid point 36 (27/105) ======================= q-point: ( 0.29 -0.04 -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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -10.131 0.040 -0.420) 10.140 1.200 ( -11.596 2.065 3.981) 12.434 1.455 ( 4.229 -3.746 -2.389) 6.134 1.681 ( -0.657 1.047 -2.201) 2.525 1.801 ( 1.227 1.056 -0.139) 1.625 1.907 ( 1.873 -0.615 1.153) 2.284 2.715 ( 0.212 2.969 2.836) 4.111 2.798 ( -3.560 2.847 1.754) 4.885 3.023 ( 2.996 -4.271 -2.054) 5.607 3.189 ( 0.647 4.299 -0.942) 4.449 3.517 ( -0.513 6.503 4.529) 7.941 3.581 ( -3.083 -9.782 -7.016) 12.426 3.914 ( 1.608 -3.428 -1.647) 4.129 4.020 ( 0.462 1.137 2.410) 2.704 4.208 ( 2.958 0.256 1.827) 3.486 4.351 ( 1.085 5.758 -6.401) 8.678 4.397 ( 3.272 -1.591 1.097) 3.800 4.511 ( 0.325 2.405 2.742) 3.661 8.728 ( -2.819 -1.200 -0.755) 3.155 8.960 ( 1.275 0.690 1.733) 2.260 9.312 ( -2.070 -0.024 0.819) 2.227 9.704 ( -2.492 -3.470 -1.566) 4.550 9.789 ( 2.688 0.587 -0.150) 2.756 10.117 ( -0.255 1.595 -0.197) 1.627 10.161 ( -2.932 2.060 0.985) 3.717 10.264 ( 0.752 0.039 0.481) 0.894 10.297 ( 1.989 -0.573 2.243) 3.052 10.526 ( 1.089 -0.050 -1.682) 2.005 27.242 ( -0.478 -5.011 1.824) 5.355 27.342 ( -2.403 -2.755 -3.924) 5.363 27.456 ( -2.285 3.697 -4.065) 5.951 27.532 ( -0.036 -4.471 2.340) 5.047 27.628 ( 3.251 1.630 3.349) 4.944 28.557 ( 1.449 5.862 0.708) 6.080 29.328 ( -0.455 -0.122 -0.568) 0.738 29.360 ( 0.266 -0.213 0.490) 0.597 ======================= Grid point 38 (28/105) ======================= q-point: ( 0.29 -0.04 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -13.841 7.483 -1.744) 15.831 0.778 ( -14.496 2.679 7.260) 16.432 1.230 ( -15.203 6.034 12.841) 20.795 1.535 ( 1.897 1.601 2.956) 3.860 1.906 ( 1.912 -1.803 -5.833) 6.398 1.951 ( 2.123 -0.223 -2.992) 3.675 2.722 ( -6.760 -7.131 0.781) 9.856 2.892 ( -1.344 7.378 4.978) 9.001 2.986 ( 5.662 -0.660 -0.137) 5.702 3.144 ( -0.048 -1.949 -1.161) 2.270 3.435 ( 3.584 1.820 3.164) 5.116 3.685 ( -0.371 4.236 -2.322) 4.845 3.835 ( -0.135 -0.126 -1.358) 1.370 4.127 ( 1.430 0.964 -1.669) 2.400 4.220 ( 1.828 -3.636 -8.603) 9.517 4.393 ( 2.154 -4.183 -2.851) 5.502 4.449 ( -2.218 -0.074 -1.503) 2.681 4.564 ( -1.542 0.820 -1.311) 2.184 8.656 ( 1.027 -0.506 5.922) 6.032 8.984 ( -0.614 1.321 -0.760) 1.644 9.313 ( -0.916 -0.576 1.118) 1.556 9.574 ( -2.383 1.609 1.412) 3.203 9.950 ( 0.413 -1.704 -1.423) 2.258 9.978 ( 1.212 1.951 -0.968) 2.493 10.184 ( -1.920 -2.357 1.989) 3.633 10.234 ( 0.734 0.197 -0.245) 0.799 10.476 ( 1.565 1.499 0.245) 2.181 10.511 ( 1.647 -2.046 -0.638) 2.703 27.165 ( 1.914 0.199 3.026) 3.586 27.262 ( -2.335 1.073 1.490) 2.971 27.384 ( -5.640 2.324 -4.773) 7.746 27.483 ( 1.823 1.268 2.321) 3.213 27.829 ( 4.946 -0.887 2.714) 5.711 28.637 ( 0.656 -4.179 -1.744) 4.575 29.304 ( -0.007 -0.072 0.278) 0.287 29.372 ( -0.133 0.241 -0.020) 0.276 ======================= Grid point 39 (29/105) ======================= q-point: ( 0.29 -0.04 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -7.367 9.631 7.098) 14.050 0.689 ( -3.079 13.200 3.192) 13.926 1.258 ( -5.663 16.064 10.515) 20.017 1.566 ( -1.547 -0.322 1.854) 2.437 1.902 ( 1.581 -2.190 -4.547) 5.289 1.974 ( 0.166 -0.237 -4.180) 4.190 2.604 ( 2.520 0.662 3.355) 4.248 2.994 ( -4.012 6.932 1.419) 8.134 3.004 ( 0.665 -8.089 3.272) 8.752 3.102 ( 3.433 0.964 -1.110) 3.735 3.499 ( 0.474 -1.921 4.164) 4.610 3.637 ( -5.797 -0.894 -7.979) 9.903 3.893 ( -1.306 3.335 -2.641) 4.450 4.069 ( -0.074 -2.428 -1.802) 3.024 4.285 ( 2.374 0.764 -7.449) 7.855 4.370 ( 4.898 -2.807 -3.006) 6.395 4.472 ( 1.933 2.162 1.086) 3.097 4.513 ( -2.436 -1.677 -0.575) 3.013 8.664 ( 0.358 -0.255 5.307) 5.325 8.989 ( -1.086 0.265 -0.521) 1.233 9.276 ( 0.264 -0.371 1.602) 1.666 9.583 ( -1.720 3.056 1.540) 3.830 9.924 ( 0.339 -0.912 -1.892) 2.128 10.017 ( -0.900 -0.613 0.694) 1.292 10.144 ( 2.384 -0.047 -0.006) 2.385 10.255 ( 0.223 0.518 0.573) 0.804 10.441 ( -0.179 -3.432 0.654) 3.498 10.546 ( 0.772 0.081 -0.769) 1.093 27.211 ( -1.686 -0.503 5.440) 5.718 27.234 ( 0.110 2.555 -2.703) 3.721 27.343 ( -1.957 2.802 -4.430) 5.596 27.520 ( -1.200 0.171 2.511) 2.788 27.841 ( 0.728 -4.525 3.663) 5.867 28.617 ( 4.253 -1.611 -1.645) 4.836 29.308 ( 0.037 0.327 0.147) 0.360 29.370 ( -0.225 -0.065 0.020) 0.235 ======================= Grid point 40 (30/105) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 7.847 14.479 0.000) 16.468 0.327 ( 0.326 16.766 0.000) 16.769 0.539 ( -3.693 27.128 0.000) 27.378 1.511 ( -1.185 -0.237 -0.000) 1.208 2.022 ( 0.458 -1.607 -0.000) 1.671 2.033 ( -0.556 -0.470 -0.000) 0.728 2.602 ( 5.125 2.444 0.000) 5.678 2.737 ( -3.948 5.088 0.000) 6.440 3.110 ( -0.280 -5.692 -0.000) 5.699 3.175 ( 0.590 0.592 0.000) 0.836 3.480 ( -2.525 -4.325 -0.000) 5.008 3.707 ( -0.183 1.114 0.000) 1.129 3.816 ( -0.664 2.270 0.000) 2.365 4.123 ( 1.579 -3.010 -0.000) 3.399 4.434 ( -0.867 -2.572 -0.000) 2.714 4.487 ( 2.256 1.291 0.000) 2.599 4.492 ( -1.399 0.209 -0.000) 1.414 4.504 ( 0.662 0.764 0.000) 1.011 8.565 ( -0.072 0.671 0.000) 0.675 8.972 ( -0.411 0.229 0.000) 0.470 9.308 ( 1.371 -0.867 -0.000) 1.622 9.499 ( -0.001 1.848 0.000) 1.848 9.880 ( 0.090 2.675 0.000) 2.676 10.096 ( -0.165 -4.821 -0.000) 4.823 10.160 ( 0.188 1.160 0.000) 1.175 10.278 ( -0.250 -0.809 -0.000) 0.847 10.446 ( 0.184 0.651 0.000) 0.676 10.562 ( -0.159 -0.966 -0.000) 0.979 27.137 ( -0.192 -2.228 -0.000) 2.236 27.232 ( -0.502 1.435 0.000) 1.520 27.289 ( 0.714 4.919 0.000) 4.970 27.465 ( -0.578 -0.892 -0.000) 1.063 27.885 ( -0.147 -2.693 -0.000) 2.697 28.716 ( 0.459 -0.649 -0.000) 0.795 29.300 ( -0.025 0.104 0.000) 0.107 29.370 ( 0.014 0.046 0.000) 0.048 ======================= Grid point 41 (31/105) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 4.124 15.846 0.000) 16.374 0.728 ( 6.674 14.918 0.000) 16.343 1.061 ( 7.261 18.815 0.000) 20.167 1.501 ( 2.129 -1.331 -0.000) 2.510 1.971 ( -2.628 -2.420 -0.000) 3.572 1.981 ( -0.455 -3.387 -0.000) 3.417 2.712 ( -7.121 8.613 0.000) 11.175 2.836 ( 7.321 1.626 0.000) 7.499 2.982 ( -0.142 -6.210 -0.000) 6.211 3.161 ( -4.116 1.789 0.000) 4.488 3.395 ( 4.057 -5.080 -0.000) 6.502 3.733 ( 1.687 -0.059 0.000) 1.688 3.848 ( 1.234 -0.321 -0.000) 1.275 4.121 ( 3.893 -6.762 -0.000) 7.803 4.352 ( -0.767 -4.615 -0.000) 4.679 4.423 ( -3.593 -2.226 -0.000) 4.227 4.457 ( -7.141 5.429 0.000) 8.970 4.566 ( 1.221 2.324 0.000) 2.625 8.584 ( 0.393 0.982 0.000) 1.058 8.991 ( 1.482 0.518 0.000) 1.570 9.302 ( -1.183 0.241 -0.000) 1.207 9.561 ( 1.749 2.894 0.000) 3.382 9.975 ( 1.906 4.567 0.000) 4.949 9.977 ( -0.813 -6.027 -0.000) 6.082 10.160 ( -2.794 1.606 0.000) 3.223 10.241 ( -0.897 -1.453 -0.000) 1.707 10.471 ( 1.655 -0.485 -0.000) 1.725 10.518 ( -1.441 -1.696 -0.000) 2.226 27.111 ( 1.357 -1.279 -0.000) 1.864 27.265 ( 0.318 3.173 0.000) 3.188 27.441 ( 2.602 6.018 0.000) 6.556 27.455 ( 2.261 -2.177 -0.000) 3.139 27.802 ( -1.137 -4.554 -0.000) 4.694 28.651 ( -4.796 -1.144 -0.000) 4.931 29.301 ( 0.031 0.004 0.000) 0.031 29.372 ( 0.087 0.136 0.000) 0.161 ======================= Grid point 42 (32/105) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 1.061 15.725 0.000) 15.761 1.108 ( 4.696 12.066 0.000) 12.947 1.408 ( 4.919 0.964 0.000) 5.013 1.582 ( 4.300 5.119 0.000) 6.685 1.844 ( -3.713 -3.540 -0.000) 5.130 1.873 ( -1.734 -5.650 -0.000) 5.910 2.743 ( -5.263 7.465 0.000) 9.134 2.875 ( -1.888 -2.815 -0.000) 3.390 2.902 ( 3.245 -5.420 -0.000) 6.317 3.120 ( -3.648 2.702 0.000) 4.540 3.472 ( 6.289 1.692 0.000) 6.512 3.754 ( 1.399 -1.597 -0.000) 2.124 3.793 ( -2.966 -3.972 -0.000) 4.957 4.053 ( 3.734 -4.682 -0.000) 5.988 4.177 ( -4.981 -8.073 -0.000) 9.486 4.314 ( -1.493 -3.159 -0.000) 3.494 4.482 ( -3.706 6.323 0.000) 7.329 4.599 ( -1.421 1.119 0.000) 1.809 8.620 ( 1.633 0.824 0.000) 1.829 9.028 ( 0.215 0.585 0.000) 0.624 9.299 ( -0.412 2.153 0.000) 2.192 9.676 ( 3.847 3.038 0.000) 4.902 9.842 ( -1.645 -5.420 -0.000) 5.664 10.110 ( 2.149 5.100 0.000) 5.534 10.124 ( -3.341 1.066 0.000) 3.507 10.202 ( -0.128 -1.208 -0.000) 1.214 10.432 ( -3.768 -0.402 -0.000) 3.789 10.493 ( 2.333 -2.821 -0.000) 3.661 27.134 ( 3.355 -1.223 -0.000) 3.571 27.389 ( 3.626 5.790 0.000) 6.832 27.460 ( 3.287 -3.025 -0.000) 4.468 27.597 ( 0.735 6.395 0.000) 6.437 27.678 ( -1.716 -4.803 -0.000) 5.100 28.497 ( -7.639 -2.321 -0.000) 7.984 29.302 ( 0.407 -0.273 -0.000) 0.490 29.377 ( -0.113 0.286 0.000) 0.307 ======================= Grid point 43 (33/105) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -0.733 10.198 0.000) 10.225 1.346 ( -0.283 7.393 0.000) 7.398 1.404 ( 2.697 -3.314 -0.000) 4.273 1.692 ( -3.743 -5.554 -0.000) 6.698 1.699 ( 1.714 -1.026 -0.000) 1.998 1.739 ( -1.466 -2.451 -0.000) 2.856 2.730 ( -0.947 -2.856 -0.000) 3.009 2.816 ( -3.022 2.223 0.000) 3.752 2.953 ( 4.119 5.745 0.000) 7.069 3.129 ( -0.583 1.710 0.000) 1.807 3.574 ( -6.427 5.107 0.000) 8.209 3.668 ( -3.820 -7.175 -0.000) 8.129 3.700 ( 6.608 -4.867 -0.000) 8.207 3.933 ( -3.632 -4.572 -0.000) 5.839 4.086 ( 3.827 -0.025 0.000) 3.828 4.233 ( -0.454 -3.337 -0.000) 3.368 4.514 ( -2.331 2.612 0.000) 3.501 4.561 ( -2.570 -0.633 -0.000) 2.647 8.684 ( 3.458 0.785 0.000) 3.546 8.989 ( -4.141 -0.372 -0.000) 4.157 9.398 ( 3.238 4.721 0.000) 5.725 9.700 ( -2.553 -5.296 -0.000) 5.879 9.810 ( 4.516 1.998 0.000) 4.938 10.074 ( -3.765 0.714 -0.000) 3.832 10.194 ( 1.430 -0.730 -0.000) 1.605 10.256 ( 2.411 5.158 0.000) 5.694 10.354 ( -3.843 0.179 -0.000) 3.847 10.453 ( 0.340 -4.235 -0.000) 4.248 27.195 ( 4.495 -0.270 0.000) 4.503 27.446 ( 0.267 -2.709 -0.000) 2.722 27.579 ( 1.665 -4.638 -0.000) 4.928 27.603 ( 6.727 3.724 0.000) 7.689 27.721 ( -1.751 8.984 0.000) 9.153 28.265 ( -9.777 -4.235 -0.000) 10.654 29.310 ( 1.074 -0.384 -0.000) 1.141 29.376 ( -0.704 0.417 0.000) 0.818 ======================= Grid point 44 (34/105) ======================= q-point: ( 0.06 -0.06 -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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 1.160 -4.664 -0.000) 4.806 1.390 ( -3.289 1.211 0.000) 3.505 1.504 ( -3.732 -4.421 -0.000) 5.785 1.583 ( 1.622 8.128 0.000) 8.288 1.676 ( 2.029 -2.876 -0.000) 3.520 1.750 ( 0.374 3.154 0.000) 3.176 2.671 ( 1.891 -3.686 -0.000) 4.143 2.832 ( -3.940 5.191 0.000) 6.517 3.119 ( -1.594 -2.308 -0.000) 2.805 3.147 ( 1.600 4.239 0.000) 4.531 3.397 ( -2.159 -9.404 -0.000) 9.649 3.555 ( -1.629 5.809 0.000) 6.033 3.797 ( 4.964 1.557 0.000) 5.202 3.882 ( -1.764 2.639 0.000) 3.175 4.171 ( -0.770 -1.560 -0.000) 1.739 4.185 ( 2.783 3.161 0.000) 4.212 4.486 ( -1.277 -3.349 -0.000) 3.584 4.498 ( -0.180 -1.152 -0.000) 1.166 8.784 ( 4.930 1.042 0.000) 5.039 8.882 ( -5.708 -0.346 -0.000) 5.718 9.538 ( -3.406 -5.226 -0.000) 6.238 9.571 ( 3.893 5.224 0.000) 6.515 9.920 ( 3.959 1.075 0.000) 4.102 9.999 ( -4.767 -0.254 -0.000) 4.774 10.221 ( 2.641 -0.579 -0.000) 2.703 10.290 ( -3.149 0.069 -0.000) 3.149 10.346 ( -1.782 -4.880 -0.000) 5.195 10.400 ( 2.554 4.343 0.000) 5.038 27.300 ( 5.111 1.477 0.000) 5.320 27.377 ( -3.729 -0.028 -0.000) 3.729 27.552 ( 5.124 -5.989 -0.000) 7.882 27.689 ( 0.448 -0.307 -0.000) 0.543 27.954 ( 4.060 10.606 0.000) 11.357 27.963 ( -10.629 -6.102 -0.000) 12.256 29.328 ( 1.454 -0.279 0.000) 1.481 29.365 ( -1.355 0.440 0.000) 1.425 ======================= Grid point 46 (35/105) ======================= q-point: ( 0.06 -0.06 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -7.363 -7.444 -0.000) 10.471 1.222 ( -0.731 -4.689 -0.000) 4.746 1.509 ( 1.080 3.013 0.000) 3.200 1.710 ( 3.439 1.656 0.000) 3.817 1.760 ( 3.626 5.002 0.000) 6.178 1.776 ( -4.252 0.932 0.000) 4.353 2.676 ( 4.590 -1.817 -0.000) 4.937 2.789 ( -6.238 -1.551 -0.000) 6.428 3.029 ( -3.310 4.315 0.000) 5.438 3.148 ( -3.168 0.326 -0.000) 3.185 3.325 ( 7.174 -5.746 -0.000) 9.191 3.716 ( 3.151 4.649 0.000) 5.616 3.903 ( -3.848 3.832 0.000) 5.430 3.962 ( 4.686 6.654 0.000) 8.138 4.166 ( -1.128 3.511 0.000) 3.688 4.298 ( 0.993 4.403 0.000) 4.513 4.375 ( 0.802 -7.821 -0.000) 7.862 4.487 ( 3.124 -2.542 -0.000) 4.028 8.768 ( -5.408 -0.137 -0.000) 5.410 8.903 ( 5.023 0.775 0.000) 5.083 9.378 ( -3.541 -3.939 -0.000) 5.297 9.731 ( 3.574 3.754 0.000) 5.183 9.871 ( -5.554 -2.564 -0.000) 6.117 10.011 ( 2.888 1.483 0.000) 3.246 10.201 ( -2.296 -4.281 -0.000) 4.858 10.251 ( -2.598 0.451 -0.000) 2.637 10.275 ( 3.755 -0.148 0.000) 3.758 10.508 ( 1.455 2.490 0.000) 2.884 27.316 ( -4.928 2.299 0.000) 5.438 27.439 ( 4.500 2.717 0.000) 5.256 27.505 ( 2.633 -8.211 -0.000) 8.623 27.657 ( -7.676 -5.078 -0.000) 9.203 27.663 ( -0.195 -1.593 -0.000) 1.605 28.229 ( 4.822 8.458 0.000) 9.736 29.343 ( -1.497 0.291 -0.000) 1.525 29.350 ( 1.190 -0.192 0.000) 1.206 ======================= Grid point 47 (36/105) ======================= q-point: ( 0.06 -0.06 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -9.378 -7.668 -0.000) 12.114 1.031 ( -7.423 -6.721 -0.000) 10.014 1.526 ( -7.948 -0.857 -0.000) 7.994 1.606 ( -4.648 -3.286 -0.000) 5.692 1.831 ( 4.160 2.657 0.000) 4.936 1.925 ( 3.335 3.928 0.000) 5.153 2.629 ( -3.981 -2.358 -0.000) 4.627 2.785 ( 7.799 0.400 0.000) 7.809 3.104 ( -4.377 5.066 0.000) 6.695 3.110 ( -2.304 1.936 0.000) 3.009 3.371 ( 5.959 -2.788 -0.000) 6.579 3.784 ( 0.016 -0.009 -0.000) 0.018 3.909 ( -1.376 3.753 0.000) 3.997 4.192 ( 1.342 -8.594 -0.000) 8.698 4.207 ( 5.985 6.019 0.000) 8.488 4.270 ( -0.857 4.285 0.000) 4.369 4.387 ( -0.752 4.499 0.000) 4.561 4.512 ( 3.736 -2.458 -0.000) 4.472 8.670 ( -4.103 -0.412 -0.000) 4.123 8.987 ( 2.924 -0.476 0.000) 2.963 9.269 ( -1.784 -1.465 -0.000) 2.308 9.704 ( -5.002 -3.389 -0.000) 6.042 9.862 ( 4.465 2.006 0.000) 4.895 10.077 ( -3.163 -3.066 -0.000) 4.404 10.088 ( 0.981 2.588 0.000) 2.768 10.234 ( -0.702 0.975 0.000) 1.202 10.357 ( 4.430 0.110 0.000) 4.432 10.552 ( -0.085 0.894 0.000) 0.898 27.257 ( -5.502 0.608 -0.000) 5.535 27.333 ( -2.561 -4.845 -0.000) 5.480 27.510 ( -1.455 -3.886 -0.000) 4.149 27.519 ( 0.004 -0.268 -0.000) 0.268 27.684 ( 4.713 0.510 0.000) 4.740 28.460 ( 3.802 6.644 0.000) 7.655 29.321 ( -1.040 0.043 -0.000) 1.041 29.365 ( 0.598 -0.131 -0.000) 0.612 ======================= Grid point 48 (37/105) ======================= q-point: ( 0.06 -0.06 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -11.773 -5.689 -0.000) 13.075 0.698 ( -12.894 -6.532 -0.000) 14.454 1.128 ( -20.389 -6.460 -0.000) 21.388 1.549 ( -0.647 -1.768 -0.000) 1.883 1.952 ( 3.387 1.768 0.000) 3.820 2.016 ( 1.182 1.154 0.000) 1.653 2.565 ( -1.569 1.232 0.000) 1.995 2.963 ( 8.496 0.762 0.000) 8.530 2.964 ( -9.160 -3.177 -0.000) 9.696 3.137 ( -0.971 3.666 0.000) 3.793 3.445 ( 3.891 -0.644 0.000) 3.944 3.751 ( -1.109 -1.570 -0.000) 1.922 3.922 ( -4.466 -0.884 -0.000) 4.553 4.081 ( 9.336 -9.137 -0.000) 13.063 4.379 ( 4.290 1.050 0.000) 4.417 4.393 ( -2.214 10.129 0.000) 10.369 4.447 ( -1.520 4.137 0.000) 4.408 4.518 ( 1.442 -2.124 -0.000) 2.567 8.598 ( -2.190 -0.571 -0.000) 2.263 8.995 ( 0.112 -1.215 -0.000) 1.220 9.259 ( 0.996 0.754 0.000) 1.250 9.568 ( -3.492 -1.889 -0.000) 3.970 9.962 ( -3.616 -1.833 -0.000) 4.054 9.986 ( 5.737 0.585 0.000) 5.767 10.145 ( -0.915 3.108 0.000) 3.240 10.255 ( 0.662 0.887 0.000) 1.107 10.432 ( 3.132 -0.550 0.000) 3.179 10.553 ( -0.532 0.371 0.000) 0.649 27.147 ( -1.348 -2.349 -0.000) 2.708 27.266 ( -2.897 1.033 0.000) 3.075 27.399 ( -3.252 -2.891 -0.000) 4.351 27.486 ( 0.283 -2.195 -0.000) 2.213 27.804 ( 4.728 1.046 0.000) 4.843 28.630 ( 2.138 4.851 0.000) 5.301 29.306 ( -0.451 -0.098 -0.000) 0.461 29.370 ( 0.126 -0.044 -0.000) 0.133 ======================= Grid point 50 (38/105) ======================= q-point: (-0.18 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 1.514 -7.091 -10.722) 12.943 0.457 ( -3.463 -11.032 -12.585) 17.090 0.804 ( 1.001 -19.204 -18.863) 26.937 1.555 ( 0.441 0.786 -4.198) 4.293 1.949 ( -0.010 0.721 6.624) 6.663 1.960 ( 0.038 -0.415 6.630) 6.643 2.666 ( -4.532 -1.887 -5.383) 7.286 2.753 ( 4.162 -7.024 -2.550) 8.553 3.128 ( 1.716 4.346 -0.112) 4.674 3.154 ( -1.587 0.529 1.183) 2.049 3.516 ( 2.664 3.215 -3.027) 5.157 3.584 ( -2.589 -2.461 4.336) 5.618 3.812 ( 0.576 -2.737 1.029) 2.980 4.093 ( -0.920 -0.803 5.113) 5.257 4.295 ( 0.632 0.910 7.032) 7.119 4.430 ( 1.194 -0.211 3.543) 3.745 4.478 ( 1.792 -1.306 3.423) 4.078 4.484 ( -3.166 -2.137 1.434) 4.080 8.744 ( 0.007 7.865 -9.445) 12.291 8.963 ( 0.378 -0.359 0.792) 0.949 9.256 ( -0.842 -5.278 2.295) 5.816 9.521 ( 0.065 -1.595 -2.217) 2.732 9.885 ( -0.071 -1.905 -1.018) 2.161 10.090 ( 0.499 5.237 1.485) 5.467 10.174 ( -0.773 -1.012 -1.084) 1.673 10.229 ( 0.382 -1.229 2.807) 3.088 10.481 ( -0.192 0.587 -2.399) 2.477 10.574 ( 0.206 2.342 0.200) 2.360 27.192 ( 0.822 -0.809 2.745) 2.977 27.219 ( -0.974 -2.518 2.350) 3.580 27.344 ( -0.456 7.648 -8.612) 11.527 27.503 ( 0.783 0.717 -3.141) 3.315 27.918 ( 0.236 2.771 -3.157) 4.208 28.662 ( -0.314 -2.089 4.112) 4.622 29.304 ( 0.021 -0.075 -0.420) 0.427 29.368 ( -0.017 -0.033 0.171) 0.175 ======================= Grid point 53 (39/105) ======================= q-point: (-0.18 -0.07 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 8.662 6.987 -6.797) 13.040 1.014 ( 8.753 6.484 1.098) 10.948 1.536 ( 2.500 0.349 -0.858) 2.666 1.621 ( 4.322 2.693 -1.413) 5.284 1.811 ( -2.914 -2.331 1.811) 4.148 1.918 ( -1.594 -3.309 0.967) 3.798 2.617 ( 2.289 0.801 0.602) 2.499 2.840 ( -6.288 -0.832 -4.150) 7.580 3.041 ( 0.443 -1.878 3.642) 4.121 3.150 ( 3.700 -1.723 -3.327) 5.266 3.438 ( -3.540 0.209 -4.961) 6.098 3.711 ( -0.717 2.639 4.901) 5.612 3.950 ( 3.317 -3.081 -1.209) 4.685 4.039 ( -3.491 3.123 8.605) 9.797 4.187 ( -0.752 -6.849 3.815) 7.876 4.233 ( -1.363 -3.980 2.912) 5.116 4.478 ( 0.457 -0.107 -4.324) 4.350 4.516 ( -2.810 2.550 -0.939) 3.909 8.689 ( 2.495 0.314 -1.698) 3.034 8.991 ( -1.957 0.233 -0.314) 1.996 9.288 ( 1.273 1.427 -1.859) 2.667 9.705 ( 4.320 3.210 -0.259) 5.388 9.835 ( -3.725 -1.867 2.179) 4.702 10.074 ( 1.366 -1.678 1.114) 2.434 10.111 ( 0.458 2.057 -2.644) 3.381 10.251 ( 0.672 -0.772 -1.659) 1.949 10.367 ( -3.922 -0.124 -0.860) 4.017 10.531 ( -0.132 -1.245 2.088) 2.434 27.265 ( 4.480 -2.089 -0.122) 4.945 27.335 ( 2.576 6.531 -0.950) 7.084 27.430 ( 0.059 3.917 5.629) 6.858 27.548 ( 1.129 -0.078 -1.039) 1.536 27.733 ( -4.323 -0.702 -4.574) 6.333 28.461 ( -3.383 -6.579 0.280) 7.403 29.316 ( 0.683 -0.071 0.431) 0.811 29.371 ( -0.349 0.207 -0.523) 0.662 ======================= Grid point 54 (40/105) ======================= q-point: (-0.18 -0.07 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 4.258 3.906 -1.363) 5.937 1.237 ( 4.340 7.191 -3.549) 9.118 1.496 ( -1.795 -2.343 1.017) 3.122 1.667 ( -1.120 -1.600 4.222) 4.652 1.709 ( -2.586 -2.018 0.930) 3.409 1.840 ( 0.543 -4.017 -2.308) 4.665 2.666 ( -1.539 1.153 0.896) 2.122 2.777 ( 1.908 -0.578 1.056) 2.256 3.034 ( 2.825 0.099 -1.047) 3.014 3.182 ( 2.565 0.445 -3.414) 4.294 3.371 ( -5.448 1.878 -3.218) 6.601 3.663 ( -2.060 -5.409 4.257) 7.184 3.925 ( -0.503 -3.430 -1.296) 3.701 3.975 ( -0.367 -2.781 -0.862) 2.934 4.116 ( 0.123 -2.560 4.548) 5.220 4.151 ( -0.327 -0.982 7.488) 7.559 4.481 ( -1.611 1.903 -3.587) 4.368 4.521 ( -1.083 2.059 -3.631) 4.312 8.762 ( 3.575 0.834 0.606) 3.720 8.921 ( -3.490 -1.527 -1.573) 4.121 9.383 ( 2.861 3.703 -0.507) 4.707 9.709 ( -2.658 -3.776 1.787) 4.952 9.869 ( 4.152 3.407 0.439) 5.389 10.017 ( -2.337 -1.352 -0.586) 2.763 10.205 ( 2.286 2.969 -0.914) 3.858 10.264 ( 1.197 0.017 -1.118) 1.638 10.300 ( -2.296 0.066 -1.969) 3.025 10.480 ( -1.391 -2.605 2.672) 3.982 27.308 ( 3.682 -1.488 0.823) 4.056 27.424 ( -3.042 0.449 1.394) 3.376 27.529 ( -2.777 4.320 -2.061) 5.534 27.619 ( 7.376 4.867 3.222) 9.406 27.692 ( -0.645 1.968 -2.723) 3.421 28.240 ( -3.912 -8.730 -0.696) 9.591 29.330 ( 0.465 0.234 0.737) 0.903 29.363 ( -0.244 -0.281 -0.734) 0.823 ======================= Grid point 55 (41/105) ======================= q-point: ( 0.82 -0.07 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -1.624 4.233 -0.728) 4.592 1.388 ( 2.356 -1.875 0.211) 3.019 1.500 ( 2.997 4.000 -0.016) 4.998 1.578 ( -0.967 -5.008 1.261) 5.254 1.664 ( -3.184 1.081 0.170) 3.367 1.766 ( 1.961 -3.002 -1.039) 3.733 2.660 ( -2.000 3.104 0.585) 3.738 2.789 ( 2.953 -3.901 3.327) 5.917 3.140 ( -0.726 1.136 -1.256) 1.842 3.206 ( 1.868 -3.322 -5.152) 6.408 3.366 ( -0.211 7.158 2.797) 7.688 3.530 ( 3.016 -5.329 2.140) 6.486 3.839 ( -3.925 0.322 -4.246) 5.791 3.923 ( 0.902 -3.071 -3.536) 4.770 4.100 ( -0.136 0.979 5.407) 5.496 4.132 ( 0.098 -1.659 5.151) 5.413 4.504 ( -0.622 2.622 -2.037) 3.378 4.546 ( 1.011 0.329 -2.704) 2.906 8.789 ( -4.159 -0.243 -0.322) 4.178 8.885 ( 4.863 -0.376 -0.329) 4.888 9.505 ( -0.906 3.106 2.128) 3.872 9.587 ( 0.840 -3.295 -0.730) 3.478 9.924 ( -4.255 -0.233 -0.461) 4.286 10.000 ( 3.656 0.496 -0.014) 3.689 10.251 ( -1.472 0.272 -2.594) 2.995 10.293 ( 2.241 0.788 -0.335) 2.399 10.337 ( 1.703 3.088 0.791) 3.614 10.380 ( -2.005 -3.852 1.937) 4.755 27.307 ( -4.135 -0.560 -0.504) 4.203 27.381 ( 2.938 -0.523 -0.451) 3.018 27.554 ( -3.996 5.404 -0.411) 6.734 27.679 ( -0.450 -0.750 0.993) 1.323 27.879 ( -0.579 1.768 3.605) 4.056 28.033 ( 5.788 -4.932 -3.133) 8.225 29.329 ( -1.265 0.410 -0.091) 1.333 29.364 ( 1.193 -0.524 0.052) 1.304 ======================= Grid point 58 (42/105) ======================= q-point: (-0.18 -0.07 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -1.688 -6.082 2.710) 6.869 1.352 ( 0.211 -6.013 -1.269) 6.149 1.447 ( -1.640 -1.123 -3.309) 3.860 1.605 ( 0.553 4.525 5.375) 7.048 1.699 ( 2.450 3.579 0.270) 4.345 1.806 ( 1.367 0.721 -3.526) 3.850 2.707 ( 1.277 1.517 2.068) 2.866 2.772 ( 1.667 -1.091 2.446) 3.155 3.007 ( -3.467 -2.930 -3.817) 5.931 3.184 ( 1.155 -3.521 -4.608) 5.913 3.519 ( 1.126 1.101 6.062) 6.264 3.606 ( 6.397 2.667 1.300) 7.052 3.799 ( -4.902 4.006 -5.986) 8.712 3.945 ( 2.723 3.086 -1.096) 4.259 4.085 ( -1.315 -0.395 0.317) 1.409 4.147 ( 1.773 1.374 6.732) 7.095 4.546 ( 0.589 0.774 -0.957) 1.365 4.562 ( 1.979 -1.510 -0.633) 2.568 8.703 ( -3.017 -0.627 -1.756) 3.547 8.983 ( 3.793 0.475 0.835) 3.912 9.398 ( -3.089 -3.552 -0.114) 4.709 9.689 ( 3.089 3.713 0.936) 4.920 9.815 ( -5.015 -1.324 -0.917) 5.267 10.064 ( 2.593 -0.274 1.187) 2.865 10.231 ( -0.643 -0.309 -3.128) 3.208 10.249 ( -1.720 -3.914 0.397) 4.294 10.363 ( 3.311 -0.154 -0.799) 3.409 10.427 ( -0.247 3.954 2.548) 4.710 27.215 ( -3.747 -0.180 -1.954) 4.230 27.442 ( -0.141 2.714 0.358) 2.741 27.579 ( -2.626 -1.411 1.639) 3.402 27.610 ( -4.857 3.311 -2.217) 6.282 27.694 ( 0.001 -8.873 2.080) 9.113 28.268 ( 9.822 3.741 -0.011) 10.510 29.312 ( -0.937 0.200 -0.214) 0.981 29.377 ( 0.656 -0.224 -0.007) 0.693 ======================= Grid point 59 (43/105) ======================= q-point: (-0.18 -0.07 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -4.924 -12.360 3.304) 13.709 1.102 ( -2.458 -13.666 -4.127) 14.485 1.459 ( -2.814 2.004 -3.700) 5.062 1.613 ( -2.727 -5.001 -2.721) 6.312 1.813 ( 2.545 3.024 3.435) 5.237 1.863 ( 1.290 4.311 0.352) 4.514 2.717 ( 5.472 -5.811 2.182) 8.274 2.850 ( 0.506 5.321 0.332) 5.355 2.980 ( -1.567 3.183 -5.208) 6.302 3.139 ( 2.227 -4.149 -1.266) 4.876 3.471 ( -4.819 0.008 0.378) 4.833 3.737 ( 0.903 0.528 0.509) 1.163 3.796 ( -1.708 4.127 -0.603) 4.507 4.073 ( -0.499 3.141 -1.303) 3.437 4.115 ( 3.416 3.294 6.818) 8.307 4.243 ( 4.906 2.438 3.769) 6.649 4.513 ( -0.006 -3.410 -1.204) 3.617 4.584 ( 1.029 -0.616 1.702) 2.082 8.655 ( -1.057 -0.196 -3.246) 3.419 9.018 ( -0.195 -0.538 1.083) 1.224 9.318 ( 0.307 -1.691 -1.754) 2.455 9.677 ( -3.815 -2.519 -0.457) 4.595 9.828 ( 2.076 4.473 1.238) 5.084 10.066 ( -0.553 -2.688 2.584) 3.770 10.176 ( 1.674 -2.400 -2.841) 4.079 10.223 ( -0.346 0.498 -2.039) 2.127 10.433 ( 3.459 0.467 -0.072) 3.491 10.472 ( -1.987 3.052 2.082) 4.195 27.163 ( -2.355 0.956 -2.508) 3.571 27.387 ( -3.942 -5.281 -0.120) 6.591 27.470 ( -2.918 3.224 -0.823) 4.426 27.545 ( -0.570 -6.873 4.566) 8.271 27.706 ( 0.981 5.411 -2.649) 6.104 28.494 ( 7.499 2.169 0.596) 7.830 29.304 ( -0.258 0.134 -0.145) 0.325 29.379 ( -0.013 -0.168 -0.171) 0.240 ======================= Grid point 61 (44/105) ======================= q-point: (-0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.269 -11.365 -5.581) 12.664 1.129 ( -2.352 -10.599 -8.354) 13.699 1.502 ( 1.164 5.333 -1.003) 5.550 1.654 ( -1.235 -9.047 -6.761) 11.361 1.799 ( 1.182 1.860 3.354) 4.014 1.853 ( 1.114 -0.140 5.348) 5.464 2.817 ( -8.051 -1.232 1.684) 8.317 2.905 ( 3.787 -0.635 3.044) 4.900 2.934 ( 1.167 3.622 -3.258) 5.010 3.176 ( 6.207 -2.159 -3.176) 7.299 3.426 ( -3.135 5.053 -2.189) 6.337 3.649 ( -2.069 -3.566 -4.744) 6.285 3.831 ( 1.320 1.059 1.643) 2.359 4.089 ( 2.963 -1.541 9.208) 9.795 4.170 ( -3.193 -3.160 -0.451) 4.515 4.315 ( -2.923 2.622 5.430) 6.701 4.393 ( 3.162 0.530 1.947) 3.751 4.530 ( 0.675 -2.242 1.271) 2.664 8.736 ( -0.424 1.518 -3.645) 3.971 8.973 ( 0.651 -0.758 0.703) 1.222 9.340 ( -1.140 0.064 -2.077) 2.371 9.638 ( 0.351 -1.099 -2.164) 2.452 9.839 ( -0.353 3.337 2.394) 4.122 10.052 ( 1.997 -4.704 -0.600) 5.146 10.180 ( -2.500 0.274 0.253) 2.527 10.297 ( 0.570 -1.326 -0.823) 1.662 10.371 ( -0.342 4.431 0.256) 4.452 10.511 ( 0.664 1.051 0.761) 1.457 27.200 ( 0.845 -1.727 2.034) 2.799 27.262 ( -2.071 -0.120 -1.893) 2.809 27.374 ( -1.728 -3.223 1.216) 3.854 27.527 ( 1.932 1.049 -2.227) 3.129 27.803 ( 1.913 6.470 -4.358) 8.032 28.615 ( -0.748 -0.379 3.250) 3.357 29.320 ( 0.012 -0.182 -0.433) 0.470 29.362 ( -0.074 0.062 0.354) 0.367 ======================= Grid point 62 (45/105) ======================= q-point: (-0.42 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 4.604 -7.093 -9.174) 12.477 0.895 ( 1.663 -8.935 -13.240) 16.060 1.470 ( 4.235 -9.528 -9.778) 14.294 1.607 ( 0.508 1.584 -1.002) 1.942 1.803 ( -1.368 -0.391 4.431) 4.654 1.857 ( 1.552 -1.281 7.146) 7.424 2.672 ( -4.119 0.733 -2.924) 5.104 2.954 ( 1.711 -0.629 3.859) 4.268 3.060 ( 0.639 5.226 -2.481) 5.820 3.181 ( 0.176 -3.322 -7.290) 8.013 3.506 ( 0.348 0.130 1.831) 1.868 3.597 ( 3.729 2.142 -1.709) 4.627 3.837 ( -0.781 -1.185 2.288) 2.693 3.990 ( -2.780 -4.714 5.921) 8.063 4.156 ( 1.064 2.053 4.285) 4.870 4.279 ( -4.394 2.528 5.456) 7.448 4.444 ( 1.017 -2.510 3.285) 4.257 4.501 ( 1.815 -1.763 1.419) 2.901 8.762 ( -1.160 2.563 -3.918) 4.824 8.978 ( 0.883 -1.003 0.581) 1.457 9.322 ( 0.583 -0.458 -3.147) 3.233 9.626 ( 1.336 -2.127 -2.425) 3.491 9.889 ( -1.162 3.178 2.091) 3.978 9.999 ( 0.191 -3.093 1.500) 3.443 10.163 ( -0.117 1.354 -1.803) 2.257 10.276 ( 0.038 -1.511 -0.948) 1.785 10.448 ( -0.134 3.653 0.031) 3.655 10.524 ( -1.443 0.523 1.268) 1.992 27.177 ( 0.662 -2.540 2.611) 3.702 27.231 ( 2.819 -2.201 4.257) 5.560 27.355 ( -0.937 2.730 -6.283) 6.914 27.565 ( -0.102 0.199 -1.682) 1.697 27.944 ( -0.090 4.057 -6.467) 7.635 28.554 ( -3.384 0.363 4.776) 5.864 29.311 ( -0.404 0.003 -0.166) 0.437 29.370 ( 0.624 -0.096 0.051) 0.634 ======================= Grid point 63 (46/105) ======================= q-point: (-0.42 -0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 7.579 -4.443 -9.361) 12.838 0.960 ( 11.265 -2.194 -10.346) 15.451 1.484 ( 10.955 -4.324 -11.496) 16.458 1.582 ( -3.403 -0.360 -0.371) 3.442 1.784 ( -0.773 1.186 4.851) 5.054 1.861 ( 0.500 -0.980 5.986) 6.086 2.729 ( 2.661 6.349 0.201) 6.887 2.938 ( 0.833 -4.237 3.400) 5.496 3.021 ( -4.534 -1.858 -5.886) 7.659 3.144 ( -2.284 0.109 -2.326) 3.261 3.502 ( -0.712 1.918 -3.506) 4.059 3.694 ( 1.727 -6.543 -1.951) 7.043 3.814 ( 0.100 1.365 -0.069) 1.371 3.938 ( 3.185 3.112 11.658) 12.479 4.184 ( -1.406 1.145 -0.615) 1.915 4.315 ( -0.466 4.738 4.711) 6.697 4.393 ( 1.248 -3.271 4.165) 5.441 4.501 ( 1.089 -1.427 4.825) 5.149 8.772 ( -2.221 1.313 -5.129) 5.742 8.960 ( 0.468 -1.093 1.439) 1.866 9.348 ( 1.560 -0.420 -2.456) 2.940 9.619 ( 1.789 -1.347 -2.826) 3.606 9.908 ( -3.858 1.719 3.270) 5.342 9.956 ( 2.437 -0.830 0.253) 2.587 10.217 ( 0.998 0.680 -0.915) 1.515 10.246 ( 0.688 -0.608 -1.293) 1.586 10.469 ( -3.645 -0.804 0.990) 3.862 10.499 ( -0.762 2.411 0.383) 2.557 27.162 ( 1.574 -0.792 1.755) 2.487 27.274 ( 5.363 -2.908 4.545) 7.608 27.374 ( -2.181 1.110 -6.429) 6.879 27.533 ( -1.920 0.026 -2.452) 3.114 27.906 ( -6.084 0.309 -4.915) 7.827 28.573 ( 0.497 3.273 4.629) 5.691 29.311 ( -0.003 0.387 -0.373) 0.538 29.371 ( 0.158 -0.600 0.104) 0.629 ======================= Grid point 66 (47/105) ======================= q-point: ( 0.58 -0.08 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -5.414 3.046 -1.889) 6.493 1.353 ( -2.701 1.851 -0.104) 3.276 1.463 ( 1.804 3.753 3.816) 5.648 1.583 ( 2.397 -4.967 -2.582) 6.090 1.732 ( 0.119 -2.695 -1.560) 3.117 1.886 ( -1.669 0.093 2.693) 3.169 2.719 ( -0.980 -4.859 -3.653) 6.158 2.794 ( 2.583 -1.573 2.520) 3.937 3.023 ( 2.117 1.806 3.382) 4.379 3.188 ( -3.137 4.185 -4.772) 7.080 3.474 ( -0.517 -3.325 0.696) 3.436 3.693 ( 2.213 -2.750 -1.687) 3.912 3.809 ( 1.615 4.815 6.498) 8.248 3.993 ( -1.839 -2.609 -1.869) 3.699 4.104 ( 0.113 -3.493 2.444) 4.264 4.167 ( 0.459 -5.069 0.416) 5.106 4.501 ( 0.987 2.699 -3.567) 4.580 4.554 ( -2.057 0.111 -3.570) 4.122 8.724 ( 0.353 0.590 3.352) 3.422 8.985 ( -0.202 -0.709 -2.831) 2.925 9.365 ( 0.288 1.331 0.655) 1.511 9.719 ( -0.810 -0.030 0.083) 0.814 9.773 ( 1.367 2.083 2.555) 3.568 10.054 ( -1.730 -1.579 -2.334) 3.307 10.240 ( -1.119 0.223 0.803) 1.395 10.268 ( 0.851 0.086 -0.372) 0.933 10.352 ( 2.359 1.032 -2.677) 3.715 10.443 ( -0.570 -2.249 1.763) 2.914 27.236 ( -1.678 1.042 3.892) 4.364 27.413 ( 3.305 1.396 0.327) 3.603 27.454 ( -1.213 5.805 -0.208) 5.934 27.598 ( -6.529 0.657 -3.893) 7.630 27.649 ( 5.019 1.144 2.003) 5.523 28.435 ( 1.133 -8.628 -1.637) 8.855 29.311 ( -0.155 0.006 0.593) 0.613 29.379 ( 0.159 0.200 -0.229) 0.343 ======================= Grid point 67 (48/105) ======================= q-point: ( 0.58 -0.08 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -6.635 6.058 0.104) 8.985 1.270 ( -8.164 3.198 6.953) 11.191 1.527 ( 2.355 -0.799 0.846) 2.627 1.623 ( 3.937 -1.141 -1.661) 4.423 1.726 ( 2.124 -1.405 -2.191) 3.359 1.854 ( 0.359 -0.317 -0.452) 0.658 2.620 ( -1.341 -0.420 -1.259) 1.887 2.831 ( 3.116 -2.565 1.744) 4.396 3.079 ( -1.463 -0.895 3.725) 4.101 3.198 ( 0.243 3.681 3.206) 4.888 3.449 ( 2.332 -1.945 -3.654) 4.751 3.663 ( 4.000 -3.878 0.364) 5.583 3.869 ( -5.549 -1.358 -8.095) 9.908 3.969 ( 2.067 3.901 3.238) 5.475 4.057 ( 1.706 -2.100 -0.528) 2.757 4.119 ( 2.607 -2.551 -0.567) 3.691 4.505 ( -1.488 -0.296 -2.569) 2.983 4.565 ( 0.070 1.896 -0.252) 1.914 8.733 ( -0.774 0.441 1.719) 1.936 8.977 ( 1.473 -1.078 -0.920) 2.044 9.376 ( -1.958 1.295 2.898) 3.729 9.709 ( 1.893 -1.540 -2.229) 3.305 9.817 ( -2.400 1.896 1.916) 3.609 10.025 ( 0.545 0.655 -1.290) 1.546 10.211 ( -1.951 0.551 1.820) 2.724 10.283 ( -0.152 0.682 1.590) 1.737 10.379 ( 0.242 -2.797 0.753) 2.907 10.427 ( 2.911 -0.336 -3.321) 4.429 27.245 ( -0.397 2.192 0.758) 2.353 27.415 ( -5.436 -0.345 -4.915) 7.337 27.466 ( -1.727 2.006 0.130) 2.650 27.559 ( -2.493 2.871 1.104) 3.959 27.796 ( 4.753 0.321 6.381) 7.963 28.321 ( 4.694 -6.334 -2.775) 8.358 29.310 ( -0.348 0.338 -0.247) 0.544 29.382 ( 0.222 -0.259 0.379) 0.510 ======================= Grid point 68 (49/105) ======================= q-point: ( 0.58 -0.08 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -4.033 5.902 2.101) 7.451 1.293 ( -0.930 8.826 7.270) 11.473 1.477 ( -2.003 -4.938 -0.737) 5.380 1.628 ( 1.774 -3.371 -0.873) 3.908 1.744 ( 3.375 -1.394 -0.916) 3.765 1.893 ( 0.751 0.885 -2.817) 3.046 2.669 ( 2.424 3.827 -0.219) 4.536 2.820 ( 2.899 -3.413 2.746) 5.253 3.001 ( -2.698 0.173 -1.130) 2.930 3.243 ( -1.832 -1.991 4.907) 5.603 3.485 ( 4.548 -0.597 0.498) 4.614 3.657 ( -2.635 1.204 1.222) 3.144 3.796 ( -0.042 -0.262 -8.731) 8.735 4.012 ( 2.029 -0.552 -2.229) 3.064 4.113 ( 3.315 -0.694 -0.264) 3.397 4.156 ( 3.969 0.796 -3.127) 5.115 4.485 ( -1.643 0.484 1.452) 2.245 4.577 ( -0.411 -0.181 2.927) 2.961 8.719 ( -0.709 0.097 -1.422) 1.592 8.992 ( 0.942 -0.412 2.019) 2.266 9.354 ( -1.785 0.798 1.784) 2.647 9.735 ( 2.275 -0.195 -2.004) 3.039 9.757 ( -4.230 -0.335 -0.801) 4.318 10.073 ( 2.382 -0.148 1.120) 2.637 10.215 ( -1.388 3.590 2.762) 4.737 10.269 ( -0.435 -1.426 -0.106) 1.495 10.343 ( -0.020 -1.106 1.387) 1.774 10.461 ( 1.990 -1.058 -2.679) 3.501 27.269 ( -0.577 -1.344 -4.949) 5.161 27.340 ( -2.789 3.551 -1.501) 4.759 27.439 ( -5.933 2.873 1.508) 6.763 27.576 ( 0.893 1.137 -0.137) 1.452 27.743 ( -1.639 -6.755 5.875) 9.101 28.419 ( 8.681 0.347 -0.486) 8.701 29.311 ( -0.008 0.168 -0.765) 0.784 29.379 ( -0.220 -0.103 0.507) 0.562 ======================= Grid point 70 (50/105) ======================= q-point: ( 0.35 -0.10 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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 3.129 11.439 -2.824) 12.191 1.250 ( 2.813 10.600 2.768) 11.310 1.385 ( -2.927 -3.970 -1.346) 5.113 1.715 ( 2.312 3.427 0.477) 4.162 1.793 ( -1.835 -1.726 -0.519) 2.572 1.883 ( -1.756 -2.857 -0.399) 3.378 2.758 ( 1.228 -2.646 3.409) 4.487 2.870 ( 2.403 2.574 3.581) 5.022 2.976 ( 1.454 -2.161 -3.585) 4.431 3.258 ( -0.360 3.557 -1.760) 3.985 3.377 ( -6.565 0.500 -6.235) 9.068 3.629 ( 3.647 2.824 3.135) 5.577 3.854 ( -2.386 -0.896 1.259) 2.842 4.029 ( -0.245 -1.668 4.835) 5.120 4.164 ( -3.654 -4.792 0.565) 6.053 4.359 ( -2.316 -3.470 0.839) 4.256 4.462 ( 4.561 -0.777 -6.550) 8.019 4.563 ( 2.641 0.319 -0.168) 2.665 8.700 ( -1.630 2.268 0.553) 2.847 8.978 ( 1.288 -0.284 0.647) 1.469 9.322 ( 0.855 1.275 0.564) 1.636 9.661 ( -0.924 2.271 -1.291) 2.771 9.791 ( -0.328 -3.010 0.713) 3.110 10.125 ( -0.003 3.266 -0.547) 3.311 10.215 ( 1.569 1.549 -1.116) 2.471 10.277 ( 0.573 0.335 2.540) 2.625 10.280 ( 0.499 -4.528 0.720) 4.612 10.514 ( -1.142 -0.726 -1.140) 1.770 27.167 ( -2.640 0.681 3.079) 4.112 27.307 ( -0.402 0.822 -3.426) 3.546 27.448 ( -3.146 -0.583 3.057) 4.425 27.541 ( 4.215 1.684 -4.168) 6.163 27.657 ( 1.081 -0.084 1.468) 1.825 28.624 ( 0.712 -1.913 0.376) 2.076 29.319 ( -0.724 0.362 0.154) 0.824 29.363 ( 0.475 -0.273 -0.079) 0.554 ======================= Grid point 71 (51/105) ======================= q-point: (-0.65 -0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.440 -6.031 -4.856) 7.756 1.386 ( 3.963 2.530 -3.892) 6.104 1.455 ( 0.416 3.665 -2.952) 4.724 1.693 ( -2.180 0.557 0.596) 2.327 1.785 ( -1.294 -1.535 1.256) 2.368 1.798 ( -1.125 -1.663 2.732) 3.390 2.709 ( -1.433 -1.537 0.181) 2.109 2.864 ( 0.655 -0.947 5.745) 5.859 3.023 ( -1.178 2.104 -7.752) 8.118 3.306 ( -0.595 4.969 -3.134) 5.905 3.403 ( 5.085 0.673 -0.077) 5.130 3.669 ( -4.352 -0.258 3.123) 5.363 3.808 ( -1.289 -0.356 -0.844) 1.582 3.972 ( -0.943 -3.562 5.809) 6.879 4.032 ( -0.934 -0.373 2.718) 2.898 4.233 ( -3.483 -2.673 1.150) 4.539 4.500 ( 2.046 -2.254 -3.510) 4.646 4.594 ( 1.120 -1.485 0.209) 1.872 8.709 ( -1.671 2.285 0.115) 2.833 9.006 ( 1.666 -0.468 -0.106) 1.733 9.365 ( 1.099 1.558 -1.517) 2.437 9.691 ( 0.572 -0.854 -0.341) 1.083 9.748 ( -0.542 1.398 0.757) 1.680 10.144 ( -1.903 -0.043 -1.682) 2.540 10.214 ( 1.967 -4.033 -0.202) 4.491 10.262 ( -0.308 1.804 0.168) 1.837 10.316 ( 1.569 1.571 2.047) 3.020 10.483 ( -1.807 0.388 -0.523) 1.921 27.156 ( 0.210 0.878 3.399) 3.517 27.278 ( 0.272 -3.320 0.788) 3.423 27.431 ( 1.602 -0.089 -2.970) 3.376 27.560 ( 0.848 -1.095 1.058) 1.742 27.815 ( 2.957 8.145 -4.479) 9.754 28.533 ( -5.199 -2.861 1.757) 6.189 29.306 ( -0.802 0.071 0.373) 0.887 29.374 ( 0.858 -0.066 -0.138) 0.871 ======================= Grid point 73 (52/105) ======================= q-point: (-0.65 -0.10 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 2.138 -5.082 -5.794) 7.998 1.338 ( 2.646 -6.341 -10.132) 12.242 1.545 ( -0.064 1.044 1.765) 2.052 1.678 ( -2.917 0.321 -0.781) 3.037 1.726 ( -2.243 1.638 1.915) 3.374 1.763 ( 2.255 -1.643 6.412) 6.993 2.660 ( -2.186 -0.031 -3.320) 3.975 2.866 ( 0.483 0.843 2.584) 2.761 3.096 ( 1.357 3.345 -5.384) 6.482 3.332 ( -2.673 -0.658 -2.787) 3.918 3.465 ( -6.404 -0.946 2.610) 6.980 3.574 ( 6.321 -0.614 6.456) 9.056 3.776 ( -2.562 2.708 -3.189) 4.906 3.947 ( 1.519 0.854 3.305) 3.736 4.083 ( 2.333 1.950 2.185) 3.745 4.152 ( -1.595 -0.567 -1.657) 2.369 4.450 ( -0.603 -3.577 0.802) 3.715 4.542 ( -0.688 -4.200 2.668) 5.023 8.736 ( -0.169 2.589 -0.140) 2.598 9.001 ( -0.718 -1.170 -0.179) 1.385 9.423 ( 1.713 0.695 -4.844) 5.185 9.656 ( -0.444 -0.524 4.632) 4.683 9.817 ( 1.659 2.617 -2.328) 3.876 10.062 ( -1.683 -3.919 -1.506) 4.523 10.198 ( 1.067 -0.970 0.278) 1.469 10.280 ( 0.105 0.154 0.804) 0.826 10.386 ( 0.787 3.038 0.414) 3.166 10.447 ( -3.043 0.464 0.156) 3.082 27.205 ( 1.989 0.923 2.817) 3.570 27.239 ( 3.775 -3.364 1.381) 5.242 27.462 ( 1.910 -0.489 -3.649) 4.147 27.558 ( -0.192 -0.443 0.785) 0.921 28.001 ( -0.421 5.423 -7.545) 9.301 28.348 ( -7.047 -0.830 5.313) 8.865 29.299 ( -0.061 0.143 0.310) 0.347 29.387 ( 0.453 -0.013 -0.192) 0.492 ======================= Grid point 74 (53/105) ======================= q-point: (-0.65 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 5.061 -1.685 -6.395) 8.327 1.344 ( 4.218 -2.741 -4.919) 7.035 1.511 ( 1.261 -1.758 1.606) 2.695 1.611 ( -5.686 2.245 3.963) 7.285 1.715 ( -1.027 0.643 0.049) 1.213 1.850 ( 4.395 0.953 0.230) 4.503 2.651 ( -0.749 2.570 -0.180) 2.682 2.887 ( 0.940 -1.197 1.386) 2.059 3.115 ( -1.663 -0.386 -3.158) 3.590 3.163 ( -5.639 -3.407 -2.858) 7.181 3.444 ( -1.576 4.708 5.257) 7.230 3.681 ( 2.170 2.421 2.812) 4.299 3.875 ( 4.312 4.017 -1.676) 6.127 3.948 ( -0.290 -5.122 -3.979) 6.493 4.158 ( 1.630 4.949 -3.084) 6.054 4.178 ( 0.355 2.208 -1.355) 2.614 4.406 ( 1.819 -2.540 6.108) 6.860 4.421 ( -0.798 -4.124 5.889) 7.233 8.793 ( 0.438 2.154 -2.004) 2.974 8.946 ( -1.816 -1.120 1.306) 2.501 9.417 ( -1.395 -1.288 -2.641) 3.252 9.685 ( 1.714 1.135 2.123) 2.955 9.862 ( -0.215 -1.761 -4.421) 4.764 9.985 ( 1.011 -0.259 0.979) 1.431 10.213 ( 0.849 0.370 1.668) 1.908 10.267 ( -1.111 -0.275 1.309) 1.739 10.379 ( -3.855 -0.327 0.371) 3.887 10.458 ( 1.076 2.195 -0.942) 2.619 27.228 ( 3.382 -2.454 -0.474) 4.206 27.322 ( 5.377 0.414 3.219) 6.281 27.489 ( 1.608 -0.630 -2.064) 2.692 27.512 ( -2.319 -1.739 -0.886) 3.031 27.880 ( -9.509 -3.336 -4.988) 11.244 28.381 ( 0.264 7.624 4.267) 8.740 29.310 ( 0.555 0.417 -0.107) 0.702 29.384 ( -0.330 -0.516 -0.034) 0.614 ======================= Grid point 75 (54/105) ======================= q-point: ( 0.35 -0.10 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 1.801 1.021 -4.626) 5.068 1.311 ( -1.456 -1.307 -0.051) 1.957 1.469 ( -5.144 -1.398 -1.123) 5.448 1.633 ( 2.434 2.901 0.851) 3.882 1.759 ( 2.827 2.164 0.081) 3.561 1.893 ( 0.880 -1.884 -0.246) 2.094 2.701 ( -0.019 2.344 5.044) 5.562 2.891 ( -0.982 2.487 -1.840) 3.246 2.968 ( -1.297 -5.330 2.258) 5.932 3.181 ( 0.162 5.086 -6.594) 8.329 3.501 ( 0.352 1.264 2.282) 2.632 3.678 ( -4.792 -2.197 -1.563) 5.499 3.870 ( 2.993 -2.655 -2.423) 4.677 3.996 ( 2.356 0.776 0.536) 2.538 4.181 ( -0.360 -2.298 4.724) 5.266 4.302 ( 2.935 2.276 -1.542) 4.021 4.346 ( 2.467 1.250 -0.150) 2.770 4.489 ( 2.042 2.883 3.468) 4.951 8.782 ( -2.591 -1.143 -3.098) 4.197 8.938 ( 0.854 1.171 2.586) 2.964 9.356 ( -2.329 -0.607 -0.208) 2.416 9.718 ( 1.117 -1.591 -1.774) 2.632 9.780 ( -1.692 -1.500 -0.463) 2.308 10.082 ( 3.248 3.647 -0.313) 4.894 10.210 ( -0.704 -1.179 1.420) 1.975 10.256 ( -1.069 1.351 1.835) 2.517 10.301 ( -2.104 -0.955 0.827) 2.454 10.505 ( 0.933 0.530 -1.446) 1.801 27.229 ( 1.743 -3.370 0.820) 3.881 27.380 ( -0.514 -5.007 -2.494) 5.618 27.445 ( 3.473 1.266 -1.146) 3.870 27.502 ( -0.382 -0.819 1.507) 1.758 27.688 ( -7.118 1.931 -1.442) 7.516 28.530 ( 1.382 5.279 2.217) 5.890 29.329 ( 0.287 0.380 -0.670) 0.822 29.361 ( -0.309 -0.784 0.534) 0.998 ======================= Grid point 79 (55/105) ======================= q-point: ( 0.35 -0.10 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -10.958 6.424 2.763) 13.000 0.847 ( -12.076 6.955 2.479) 14.154 1.392 ( -7.446 9.572 8.770) 14.965 1.574 ( 0.403 2.033 1.637) 2.641 1.864 ( 2.298 -2.493 -4.194) 5.393 1.942 ( 3.157 -0.792 -2.305) 3.988 2.619 ( -3.603 -2.802 0.710) 4.620 2.950 ( 4.673 -3.361 0.770) 5.808 3.036 ( 1.535 5.684 4.830) 7.615 3.072 ( -2.321 -2.731 -0.781) 3.668 3.475 ( 0.820 0.622 1.923) 2.181 3.727 ( -2.256 -0.313 -2.470) 3.360 3.872 ( 3.162 3.980 -0.669) 5.127 4.112 ( -2.621 -3.560 -11.662) 12.472 4.173 ( 6.570 0.477 -1.437) 6.742 4.304 ( 3.201 -4.740 -2.953) 6.437 4.460 ( -1.215 1.045 2.847) 3.267 4.558 ( -1.999 -1.348 -0.695) 2.510 8.657 ( 0.267 0.811 4.207) 4.293 9.006 ( -0.699 0.515 -0.808) 1.186 9.289 ( -1.294 -1.224 2.092) 2.747 9.626 ( -2.592 3.643 1.128) 4.611 9.903 ( 2.620 -3.081 -2.601) 4.808 10.025 ( -0.930 2.708 -0.701) 2.948 10.136 ( -1.389 -2.164 2.366) 3.494 10.240 ( 1.051 0.414 1.197) 1.646 10.442 ( 0.235 -3.601 0.259) 3.618 10.519 ( 1.924 1.255 -1.509) 2.748 27.193 ( 1.951 2.693 1.822) 3.792 27.288 ( -4.597 1.868 1.116) 5.085 27.423 ( -5.600 1.191 -5.120) 7.680 27.517 ( 1.455 1.955 1.293) 2.759 27.799 ( 3.765 -2.430 3.621) 5.761 28.543 ( 3.099 -4.939 -0.944) 5.907 29.306 ( 0.115 0.317 -0.002) 0.337 29.375 ( -0.243 -0.026 0.251) 0.350 ======================= Grid point 81 (56/105) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 6.962 16.043 0.000) 17.489 0.645 ( 1.174 16.062 0.000) 16.105 1.035 ( -2.969 23.759 0.000) 23.944 1.500 ( -2.140 -0.965 -0.000) 2.348 1.975 ( 0.676 -3.179 -0.000) 3.250 2.014 ( -1.282 -1.682 -0.000) 2.114 2.662 ( 7.730 3.654 0.000) 8.550 2.878 ( -6.108 8.787 0.000) 10.701 2.974 ( 0.543 -7.682 -0.000) 7.701 3.193 ( 1.141 1.338 0.000) 1.758 3.383 ( -3.818 -5.115 -0.000) 6.383 3.723 ( -0.819 0.403 0.000) 0.913 3.845 ( -2.185 -0.021 -0.000) 2.185 4.054 ( 2.648 -3.494 -0.000) 4.384 4.372 ( -1.158 -3.883 -0.000) 4.052 4.478 ( -2.072 -1.703 -0.000) 2.682 4.521 ( 3.129 2.034 0.000) 3.732 4.522 ( 1.759 0.936 0.000) 1.993 8.587 ( -0.507 1.676 0.000) 1.750 8.976 ( -0.270 0.214 0.000) 0.345 9.292 ( 1.949 -0.595 -0.000) 2.038 9.547 ( -0.212 3.027 0.000) 3.035 9.950 ( 0.500 4.395 0.000) 4.424 9.986 ( -0.280 -6.153 -0.000) 6.160 10.189 ( 0.439 1.639 0.000) 1.696 10.258 ( -0.549 -1.134 -0.000) 1.260 10.433 ( 1.176 -2.263 -0.000) 2.551 10.547 ( -0.993 -0.454 -0.000) 1.091 27.110 ( -1.109 -0.595 -0.000) 1.258 27.272 ( -0.650 2.633 0.000) 2.712 27.392 ( 1.916 5.619 0.000) 5.936 27.441 ( -1.327 -1.542 -0.000) 2.035 27.812 ( -0.069 -4.775 -0.000) 4.775 28.697 ( 0.846 -1.377 -0.000) 1.616 29.303 ( -0.181 0.240 0.000) 0.301 29.370 ( 0.102 -0.003 0.000) 0.102 ======================= Grid point 82 (57/105) ======================= q-point: ( 0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 4.788 15.577 0.000) 16.296 1.014 ( 4.734 14.178 0.000) 14.947 1.357 ( -0.494 6.427 0.000) 6.446 1.515 ( 2.412 6.966 0.000) 7.371 1.895 ( -0.688 -5.300 -0.000) 5.345 1.914 ( -3.281 -3.428 -0.000) 4.745 2.837 ( 3.639 -0.718 0.000) 3.709 2.869 ( 1.638 -5.180 -0.000) 5.432 2.896 ( -9.298 8.758 0.000) 12.774 3.206 ( -3.762 2.824 0.000) 4.704 3.316 ( 6.752 -2.447 -0.000) 7.182 3.722 ( 1.317 -1.030 -0.000) 1.672 3.829 ( 0.989 -1.626 -0.000) 1.904 4.009 ( 0.229 -4.259 -0.000) 4.265 4.244 ( -2.363 -6.470 -0.000) 6.888 4.368 ( -3.536 -3.382 -0.000) 4.893 4.542 ( -2.008 3.168 0.000) 3.750 4.601 ( 1.211 1.165 0.000) 1.680 8.610 ( -0.486 1.767 0.000) 1.832 9.003 ( 1.753 0.630 0.000) 1.863 9.310 ( 0.014 0.694 0.000) 0.694 9.621 ( 1.665 3.252 0.000) 3.653 9.862 ( -0.590 -5.633 -0.000) 5.664 10.072 ( 1.848 5.182 0.000) 5.502 10.189 ( -2.962 1.204 0.000) 3.197 10.216 ( -1.203 -0.982 -0.000) 1.553 10.430 ( 3.730 -3.308 -0.000) 4.986 10.498 ( -2.736 -0.624 -0.000) 2.806 27.095 ( 0.610 -0.317 -0.000) 0.687 27.339 ( 1.473 4.215 0.000) 4.465 27.404 ( 1.849 -3.018 -0.000) 3.539 27.564 ( 2.537 6.728 0.000) 7.190 27.704 ( -0.785 -5.249 -0.000) 5.307 28.624 ( -4.839 -1.827 -0.000) 5.172 29.301 ( -0.245 -0.015 -0.000) 0.246 29.375 ( 0.266 0.100 0.000) 0.285 ======================= Grid point 83 (58/105) ======================= q-point: ( 0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 2.409 9.808 0.000) 10.099 1.337 ( 1.633 11.937 0.000) 12.049 1.356 ( 1.474 -3.276 -0.000) 3.592 1.685 ( -0.365 3.079 0.000) 3.100 1.761 ( -1.939 -5.497 -0.000) 5.829 1.775 ( -3.360 -3.570 -0.000) 4.903 2.773 ( -2.173 -3.972 -0.000) 4.527 2.832 ( 1.254 -1.516 -0.000) 1.967 2.925 ( -2.729 8.006 0.000) 8.459 3.183 ( -4.540 3.473 0.000) 5.716 3.490 ( 10.171 0.219 0.000) 10.174 3.704 ( -0.029 -3.728 -0.000) 3.728 3.748 ( -6.259 -0.627 -0.000) 6.290 4.002 ( 4.418 -0.715 0.000) 4.476 4.021 ( -5.054 -7.368 -0.000) 8.935 4.250 ( -1.511 -3.372 -0.000) 3.696 4.559 ( -1.988 1.748 0.000) 2.647 4.602 ( -1.351 -0.891 -0.000) 1.618 8.643 ( 0.745 1.581 0.000) 1.747 9.034 ( -0.253 -0.089 -0.000) 0.268 9.352 ( 1.379 3.359 0.000) 3.631 9.732 ( 3.339 2.863 0.000) 4.399 9.740 ( -1.605 -5.102 -0.000) 5.348 10.143 ( -3.364 0.718 -0.000) 3.439 10.178 ( 0.404 -0.144 -0.000) 0.429 10.217 ( 1.436 4.589 0.000) 4.809 10.414 ( 0.209 -3.298 -0.000) 3.305 10.438 ( -1.197 -0.968 -0.000) 1.539 27.124 ( 2.607 0.213 0.000) 2.616 27.390 ( 3.778 -4.076 -0.000) 5.558 27.489 ( 4.876 4.067 0.000) 6.350 27.589 ( -1.450 -4.096 -0.000) 4.345 27.736 ( 0.446 8.128 0.000) 8.140 28.446 ( -8.521 -3.167 -0.000) 9.090 29.297 ( 0.216 -0.252 -0.000) 0.332 29.383 ( 0.057 0.287 0.000) 0.292 ======================= Grid point 84 (59/105) ======================= q-point: ( 0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.527 -5.412 -0.000) 5.437 1.448 ( -2.341 2.593 0.000) 3.493 1.566 ( 0.551 8.600 0.000) 8.618 1.597 ( -5.562 -3.805 -0.000) 6.739 1.645 ( 0.446 -3.849 -0.000) 3.874 1.725 ( 2.023 1.058 0.000) 2.283 2.670 ( -1.737 -2.379 -0.000) 2.946 2.866 ( 0.868 2.644 0.000) 2.783 3.099 ( 2.447 7.939 0.000) 8.307 3.152 ( -3.185 0.531 -0.000) 3.229 3.495 ( -6.457 -9.812 -0.000) 11.746 3.613 ( -0.770 -1.210 -0.000) 1.434 3.695 ( 2.706 4.842 0.000) 5.547 3.900 ( -0.439 0.786 0.000) 0.901 4.113 ( 4.576 2.555 0.000) 5.241 4.180 ( -0.344 -1.969 -0.000) 1.999 4.519 ( -1.753 -1.906 -0.000) 2.590 4.523 ( -2.314 -3.399 -0.000) 4.112 8.708 ( 2.753 1.749 0.000) 3.261 8.979 ( -3.998 -0.703 -0.000) 4.059 9.494 ( 3.903 5.071 0.000) 6.399 9.599 ( -2.811 -4.985 -0.000) 5.723 9.848 ( 3.461 2.119 0.000) 4.058 10.083 ( -3.857 -0.112 -0.000) 3.859 10.182 ( 1.251 -0.412 -0.000) 1.317 10.338 ( -0.973 -3.506 -0.000) 3.639 10.349 ( 2.560 4.298 0.000) 5.002 10.383 ( -2.567 -1.133 -0.000) 2.806 27.207 ( 4.291 1.451 0.000) 4.530 27.389 ( 3.502 -3.373 -0.000) 4.862 27.498 ( -0.822 -2.987 -0.000) 3.098 27.629 ( 4.740 -0.539 0.000) 4.770 27.922 ( 0.250 11.157 0.000) 11.160 28.173 ( -10.852 -5.385 -0.000) 12.115 29.304 ( 0.977 -0.162 0.000) 0.991 29.384 ( -0.621 0.377 0.000) 0.727 ======================= Grid point 85 (60/105) ======================= q-point: ( 0.11 -0.11 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.969 -2.103 -0.000) 2.315 1.351 ( -8.450 -2.992 -0.000) 8.964 1.484 ( 0.583 0.325 0.000) 0.668 1.636 ( 4.194 -0.963 -0.000) 4.303 1.704 ( 1.883 3.918 0.000) 4.346 1.818 ( 0.066 3.464 0.000) 3.464 2.624 ( 0.650 -1.050 -0.000) 1.235 2.906 ( -4.113 1.189 0.000) 4.282 3.088 ( -2.633 0.713 0.000) 2.728 3.207 ( -2.467 2.300 0.000) 3.373 3.237 ( 0.348 -6.743 -0.000) 6.752 3.658 ( 2.449 4.659 0.000) 5.264 3.876 ( 4.430 5.917 0.000) 7.391 3.950 ( -0.988 3.281 0.000) 3.426 4.172 ( 0.271 2.096 0.000) 2.113 4.258 ( 3.234 4.176 0.000) 5.282 4.385 ( -1.654 -6.999 -0.000) 7.192 4.444 ( 1.084 -4.163 -0.000) 4.302 8.812 ( 4.082 1.843 0.000) 4.479 8.874 ( -5.293 -0.495 -0.000) 5.316 9.447 ( -3.478 -4.076 -0.000) 5.358 9.661 ( 3.687 3.883 0.000) 5.355 9.952 ( 3.105 2.309 0.000) 3.870 9.972 ( -4.760 -2.874 -0.000) 5.560 10.213 ( 2.559 -0.179 0.000) 2.566 10.241 ( -1.757 -3.541 -0.000) 3.953 10.311 ( -3.483 0.097 -0.000) 3.485 10.468 ( 2.438 2.673 0.000) 3.618 27.342 ( 5.248 2.736 0.000) 5.918 27.391 ( -0.678 0.476 0.000) 0.828 27.437 ( 1.807 -4.768 -0.000) 5.099 27.645 ( 2.085 -3.929 -0.000) 4.448 27.841 ( -10.716 -6.375 -0.000) 12.469 28.165 ( 2.037 10.813 0.000) 11.003 29.326 ( 1.292 0.005 0.000) 1.292 29.371 ( -1.281 0.170 -0.000) 1.293 ======================= Grid point 86 (61/105) ======================= q-point: ( 0.11 -0.11 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -12.167 -2.115 -0.000) 12.349 1.154 ( -4.926 -2.073 -0.000) 5.345 1.531 ( 2.905 -0.819 -0.000) 3.018 1.744 ( 4.931 1.745 0.000) 5.231 1.774 ( -8.092 -0.837 -0.000) 8.135 1.838 ( 5.334 2.992 0.000) 6.116 2.664 ( 4.269 0.401 0.000) 4.288 2.751 ( -8.020 -0.864 -0.000) 8.066 3.122 ( 2.956 -0.498 0.000) 2.997 3.171 ( -3.879 2.196 0.000) 4.457 3.270 ( 3.190 4.343 0.000) 5.389 3.769 ( 1.449 1.020 0.000) 1.772 3.935 ( -1.560 -1.266 -0.000) 2.009 4.093 ( 5.581 6.022 0.000) 8.210 4.189 ( -0.960 -10.281 -0.000) 10.326 4.281 ( 0.036 7.567 0.000) 7.567 4.385 ( 1.240 4.249 0.000) 4.426 4.430 ( 4.344 -2.769 -0.000) 5.151 8.761 ( -5.109 -0.713 -0.000) 5.158 8.919 ( 3.698 0.937 0.000) 3.815 9.321 ( -3.175 -1.938 -0.000) 3.720 9.781 ( 3.771 1.348 0.000) 4.004 9.802 ( -4.943 -4.245 -0.000) 6.516 10.061 ( 1.987 3.726 0.000) 4.222 10.140 ( -3.279 -1.922 -0.000) 3.801 10.259 ( -1.975 0.221 -0.000) 1.987 10.275 ( 3.843 0.036 0.000) 3.843 10.539 ( 1.323 0.844 0.000) 1.569 27.346 ( -1.427 -5.851 -0.000) 6.023 27.376 ( -3.060 1.306 0.000) 3.327 27.492 ( 3.204 2.261 0.000) 3.921 27.571 ( -5.780 -3.316 -0.000) 6.663 27.596 ( 3.728 -4.649 -0.000) 5.959 28.400 ( 2.475 8.705 0.000) 9.050 29.345 ( -1.305 -0.197 -0.000) 1.320 29.349 ( 0.975 0.073 0.000) 0.977 ======================= Grid point 87 (62/105) ======================= q-point: ( 0.11 -0.11 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -15.351 0.671 -0.000) 15.365 0.941 ( -11.875 -2.353 -0.000) 12.106 1.489 ( -16.019 -2.122 -0.000) 16.158 1.539 ( 1.316 -4.134 -0.000) 4.338 1.875 ( 4.623 1.773 0.000) 4.951 1.972 ( 3.550 0.961 0.000) 3.678 2.637 ( -5.665 3.368 0.000) 6.591 2.800 ( 7.688 1.227 0.000) 7.785 3.097 ( -2.257 -4.013 -0.000) 4.604 3.169 ( -2.383 3.787 0.000) 4.475 3.390 ( -0.221 1.935 0.000) 1.948 3.763 ( -0.142 -1.987 -0.000) 1.992 3.905 ( 8.191 -9.166 -0.000) 12.293 4.000 ( -3.391 -1.316 -0.000) 3.637 4.284 ( 5.485 1.746 0.000) 5.756 4.426 ( -0.983 7.985 0.000) 8.046 4.461 ( 2.832 -0.638 -0.000) 2.903 4.481 ( -0.098 3.052 0.000) 3.053 8.656 ( -3.709 -1.062 -0.000) 3.858 8.977 ( 1.628 -0.457 -0.000) 1.691 9.264 ( -1.352 0.831 0.000) 1.587 9.643 ( -4.175 -2.587 -0.000) 4.912 9.877 ( 5.274 -0.066 0.000) 5.274 10.039 ( -4.272 -0.820 -0.000) 4.350 10.160 ( -0.323 4.258 0.000) 4.270 10.246 ( 0.067 0.226 0.000) 0.236 10.355 ( 4.462 -0.233 0.000) 4.468 10.557 ( 0.251 -0.350 -0.000) 0.430 27.184 ( -2.273 -4.859 -0.000) 5.365 27.332 ( -3.626 0.841 0.000) 3.722 27.465 ( -3.846 0.010 -0.000) 3.846 27.476 ( 0.717 -3.802 -0.000) 3.869 27.695 ( 6.409 0.745 0.000) 6.453 28.589 ( 2.132 6.017 0.000) 6.384 29.318 ( -0.774 -0.353 -0.000) 0.851 29.364 ( 0.413 0.114 0.000) 0.428 ======================= Grid point 90 (63/105) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.000 -0.000 -16.525) 16.525 0.334 ( 0.000 -0.000 -16.525) 16.525 0.546 ( 0.000 -0.000 -26.624) 26.624 1.563 ( 0.000 -0.000 -4.670) 4.670 1.954 ( -0.000 0.000 7.411) 7.411 1.954 ( -0.000 0.000 7.411) 7.411 2.646 ( 0.000 -0.000 -5.873) 5.873 2.646 ( 0.000 -0.000 -5.873) 5.873 3.155 ( -0.000 0.000 0.924) 0.924 3.155 ( -0.000 0.000 0.924) 0.924 3.554 ( 0.000 -0.000 -2.333) 2.333 3.554 ( 0.000 -0.000 -2.333) 2.333 3.773 ( -0.000 0.000 1.376) 1.376 4.082 ( -0.000 0.000 6.632) 6.632 4.298 ( -0.000 0.000 2.202) 2.202 4.433 ( -0.000 0.000 4.104) 4.104 4.433 ( -0.000 0.000 4.104) 4.104 4.470 ( -0.000 0.000 0.751) 0.751 8.960 ( -0.000 0.000 0.903) 0.903 8.960 ( -0.000 0.000 0.903) 0.903 9.080 ( 0.000 -0.000 -3.846) 3.846 9.506 ( 0.000 -0.000 -2.477) 2.477 9.871 ( 0.000 -0.000 -1.678) 1.678 10.163 ( 0.000 -0.000 -1.360) 1.360 10.163 ( 0.000 -0.000 -1.360) 1.360 10.198 ( -0.000 0.000 6.950) 6.950 10.483 ( 0.000 -0.000 -3.198) 3.198 10.612 ( -0.000 0.000 1.544) 1.544 27.183 ( -0.000 0.000 2.982) 2.982 27.183 ( -0.000 0.000 2.982) 2.982 27.510 ( 0.000 -0.000 -3.051) 3.051 27.510 ( 0.000 -0.000 -3.051) 3.051 27.943 ( 0.000 -0.000 -3.071) 3.071 28.612 ( -0.000 0.000 2.411) 2.411 29.304 ( 0.000 -0.000 -0.449) 0.449 29.368 ( -0.000 0.000 0.156) 0.156 ======================= Grid point 93 (64/105) ======================= q-point: (-0.12 -0.12 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 3.966 10.306 -2.494) 11.321 1.176 ( 4.089 9.589 -0.520) 10.437 1.506 ( 1.246 -3.321 -0.976) 3.679 1.658 ( 1.691 0.113 1.599) 2.330 1.762 ( -2.670 -2.770 1.315) 4.066 1.842 ( -0.779 -3.617 -1.167) 3.880 2.665 ( -0.199 3.477 2.816) 4.478 2.811 ( -3.425 -2.431 -0.904) 4.296 2.996 ( 0.966 -1.962 -3.460) 4.093 3.133 ( 1.770 1.134 -2.958) 3.629 3.480 ( -4.255 3.100 -0.555) 5.293 3.694 ( -1.311 -3.847 3.710) 5.503 3.876 ( 4.307 -4.049 -4.170) 7.234 4.028 ( -3.982 -4.152 4.382) 7.232 4.103 ( 1.002 -2.290 2.546) 3.568 4.172 ( -2.173 -1.611 6.375) 6.925 4.507 ( -0.799 2.737 -3.824) 4.770 4.552 ( -1.960 0.971 -0.095) 2.189 8.694 ( 2.934 0.283 -1.770) 3.438 8.990 ( -3.004 -0.288 0.347) 3.037 9.333 ( 1.930 3.005 -1.473) 3.863 9.746 ( 1.052 -0.519 1.522) 1.922 9.796 ( 0.990 -0.673 -0.199) 1.213 10.057 ( -1.519 0.087 1.210) 1.944 10.170 ( 1.079 3.619 -1.693) 4.139 10.238 ( 1.131 -0.508 -2.224) 2.546 10.363 ( -3.673 -0.157 -0.800) 3.763 10.493 ( 0.181 -2.716 2.593) 3.759 27.227 ( 4.050 -1.411 -0.879) 4.378 27.466 ( 1.895 4.272 0.496) 4.700 27.496 ( 1.740 2.858 1.310) 3.594 27.559 ( 0.723 3.618 2.087) 4.239 27.694 ( -0.114 -3.451 -3.724) 5.078 28.349 ( -7.025 -4.852 0.302) 8.543 29.315 ( 0.830 -0.101 0.219) 0.864 29.374 ( -0.512 0.103 -0.403) 0.660 ======================= Grid point 94 (65/105) ======================= q-point: (-0.12 -0.12 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.414 4.611 0.226) 4.635 1.355 ( 0.883 1.379 -1.186) 2.021 1.465 ( 0.804 2.660 -1.549) 3.181 1.599 ( -0.890 -4.907 2.702) 5.672 1.687 ( 0.985 -0.785 0.904) 1.550 1.765 ( -2.298 -2.835 -1.365) 3.896 2.708 ( -1.120 2.354 2.347) 3.507 2.736 ( 0.455 -2.516 1.088) 2.779 3.085 ( 4.448 4.491 -3.007) 6.999 3.187 ( 0.855 0.039 -3.725) 3.823 3.434 ( -5.638 4.077 1.229) 7.065 3.524 ( -2.216 -8.124 4.157) 9.391 3.877 ( 2.109 -2.164 -4.638) 5.535 3.904 ( -1.209 -2.364 -3.074) 4.062 4.101 ( 0.291 0.770 3.808) 3.895 4.130 ( -0.190 -1.447 7.241) 7.387 4.526 ( -1.577 2.043 -1.997) 3.264 4.537 ( -0.115 -0.458 -2.389) 2.435 8.778 ( 4.534 0.822 -0.604) 4.648 8.893 ( -4.948 -1.130 -0.186) 5.079 9.466 ( 3.528 4.603 0.100) 5.800 9.625 ( -3.303 -4.597 1.376) 5.825 9.912 ( 4.825 1.171 -0.845) 5.037 10.005 ( -3.483 -0.187 -0.336) 3.504 10.253 ( 1.639 0.482 -1.653) 2.378 10.279 ( 0.080 2.063 -0.231) 2.078 10.313 ( -0.665 1.953 -0.612) 2.152 10.415 ( -1.361 -4.033 2.524) 4.949 27.296 ( 4.300 0.228 -0.662) 4.356 27.398 ( -3.806 -1.789 -0.131) 4.208 27.623 ( -1.316 3.516 2.125) 4.313 27.643 ( 1.881 -1.858 0.064) 2.644 27.785 ( 7.855 7.349 -1.244) 10.828 28.087 ( -8.231 -6.806 -0.142) 10.681 29.334 ( 1.216 0.025 0.118) 1.222 29.358 ( -1.068 -0.057 -0.188) 1.086 ======================= Grid point 99 (66/105) ======================= q-point: (-0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.895 -7.564 -11.212) 13.554 0.918 ( -2.339 -10.758 -11.952) 16.250 1.431 ( -0.514 -12.929 -11.254) 17.148 1.588 ( 0.955 3.314 -1.574) 3.791 1.814 ( 1.347 -0.236 4.990) 5.174 1.838 ( -0.895 -1.512 7.004) 7.222 2.789 ( -7.121 -1.506 -1.805) 7.499 2.871 ( 5.920 -2.662 2.995) 7.148 3.037 ( 1.636 6.093 -2.672) 6.852 3.157 ( 1.509 0.160 -4.563) 4.808 3.517 ( -1.595 4.136 -2.044) 4.882 3.589 ( -2.134 -2.605 -2.593) 4.250 3.836 ( 0.714 -0.936 0.057) 1.179 3.999 ( 2.221 -5.221 11.931) 13.212 4.167 ( -2.216 1.458 0.788) 2.767 4.348 ( -2.184 0.463 5.547) 5.979 4.399 ( 3.694 -0.178 4.220) 5.611 4.479 ( -0.205 -2.684 2.952) 3.995 8.781 ( -0.510 3.210 -4.793) 5.791 8.957 ( 0.800 -0.844 0.974) 1.517 9.329 ( -1.134 -1.606 -2.362) 3.073 9.610 ( 0.295 -1.734 -2.874) 3.370 9.908 ( -0.905 3.084 2.922) 4.344 9.976 ( 1.867 -2.199 0.299) 2.900 10.190 ( -2.126 0.498 -0.527) 2.247 10.264 ( 1.174 -2.006 -1.109) 2.576 10.454 ( -0.590 3.987 0.131) 4.033 10.531 ( 0.699 0.990 0.793) 1.448 27.163 ( 0.746 -1.929 2.615) 3.334 27.222 ( -1.779 -3.771 3.373) 5.363 27.379 ( -0.919 3.795 -6.014) 7.171 27.549 ( 1.359 1.128 -2.718) 3.242 27.924 ( 1.462 5.587 -5.341) 7.866 28.600 ( -0.747 -1.239 5.050) 5.253 29.316 ( 0.020 -0.115 -0.579) 0.591 29.363 ( -0.076 0.029 0.384) 0.392 ======================= Grid point 100 (67/105) ======================= q-point: (-0.36 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 1.173 -3.830 -14.397) 14.944 0.769 ( 7.211 -3.640 -13.489) 15.723 1.280 ( 9.122 -8.925 -15.393) 19.995 1.632 ( -1.662 0.925 -1.816) 2.630 1.792 ( -0.128 -0.419 6.123) 6.139 1.828 ( 2.303 -1.639 8.405) 8.868 2.709 ( -0.902 3.132 -3.141) 4.526 2.892 ( 3.783 -5.636 0.200) 6.791 3.113 ( -3.690 1.287 -3.371) 5.161 3.171 ( -0.254 0.484 -2.849) 2.901 3.514 ( -0.951 2.041 -1.341) 2.621 3.630 ( 3.536 -0.199 -0.333) 3.557 3.803 ( 0.604 -1.844 0.568) 2.022 3.929 ( -1.093 -1.097 7.865) 8.016 4.200 ( 0.194 2.045 3.299) 3.886 4.324 ( -1.576 1.534 5.997) 6.388 4.376 ( 0.950 -2.909 4.455) 5.405 4.472 ( 2.005 -1.767 3.981) 4.795 8.823 ( -2.839 3.460 -4.145) 6.100 8.954 ( 0.298 -1.279 1.071) 1.694 9.299 ( 3.105 -2.037 -2.738) 4.614 9.590 ( 1.044 -1.309 -3.017) 3.450 9.920 ( 0.750 -0.113 -1.168) 1.393 9.983 ( -2.842 1.394 5.323) 6.193 10.191 ( 0.946 1.454 -1.868) 2.549 10.239 ( 0.487 -2.114 -0.796) 2.311 10.508 ( -0.565 1.919 -0.587) 2.084 10.532 ( -2.236 0.812 1.377) 2.749 27.138 ( 0.698 -1.285 2.699) 3.070 27.184 ( 3.589 -2.405 3.935) 5.844 27.436 ( -3.750 4.946 -6.782) 9.194 27.565 ( -1.129 -0.187 -2.541) 2.787 27.993 ( -2.523 1.196 -5.779) 6.418 28.564 ( 0.211 0.542 5.437) 5.468 29.313 ( -0.179 0.164 -0.508) 0.563 29.366 ( 0.300 -0.238 0.225) 0.444 ======================= Grid point 104 (68/105) ======================= q-point: ( 0.64 -0.14 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -4.532 3.317 -2.266) 6.056 1.381 ( -1.866 0.764 1.199) 2.346 1.509 ( 5.498 -1.326 -3.684) 6.750 1.524 ( -2.795 1.500 4.289) 5.334 1.688 ( 1.653 -1.646 -0.710) 2.439 1.854 ( -0.062 -3.272 1.096) 3.452 2.656 ( -1.692 -1.248 -2.446) 3.226 2.770 ( 2.625 -1.283 2.382) 3.770 3.072 ( 0.903 3.255 2.485) 4.193 3.253 ( -4.302 2.241 0.350) 4.863 3.395 ( 3.199 -3.925 -4.814) 6.987 3.601 ( 1.685 -5.824 0.588) 6.092 3.913 ( 2.411 3.911 2.636) 5.297 3.959 ( -2.604 -0.294 0.585) 2.685 4.044 ( 0.504 -2.470 0.065) 2.522 4.083 ( 0.385 -3.545 -0.105) 3.567 4.523 ( 0.169 0.345 -2.450) 2.480 4.569 ( -0.788 0.874 -1.168) 1.658 8.746 ( -0.416 1.812 2.429) 3.059 8.951 ( 0.801 -2.726 -2.276) 3.641 9.407 ( -0.942 3.013 0.861) 3.273 9.673 ( 1.288 -3.550 -0.521) 3.813 9.853 ( -0.923 4.637 2.802) 5.496 10.027 ( -0.471 -1.260 -2.231) 2.605 10.246 ( -1.710 0.791 0.153) 1.890 10.281 ( 0.538 0.977 0.662) 1.297 10.360 ( 2.434 -0.255 -3.326) 4.130 10.393 ( -0.507 -2.776 2.244) 3.606 27.264 ( -1.354 1.989 2.708) 3.622 27.433 ( 2.634 -0.443 -0.557) 2.728 27.518 ( -4.089 1.933 -3.929) 5.991 27.662 ( -5.816 2.433 -0.925) 6.372 27.683 ( 5.988 5.265 4.662) 9.237 28.253 ( 2.322 -9.824 -1.713) 10.239 29.317 ( -0.293 0.592 0.302) 0.727 29.376 ( 0.282 -0.514 -0.087) 0.593 ======================= Grid point 105 (69/105) ======================= q-point: ( 0.64 -0.14 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -3.652 4.737 0.693) 6.021 1.345 ( -4.008 4.564 6.102) 8.610 1.483 ( 0.858 -3.139 0.173) 3.259 1.600 ( 1.899 -2.112 -2.252) 3.625 1.685 ( 1.994 -1.943 -1.699) 3.261 1.852 ( 3.387 0.174 -1.192) 3.595 2.645 ( 0.001 2.277 -0.797) 2.413 2.774 ( 1.908 -2.737 1.386) 3.613 3.066 ( -3.870 -0.252 1.486) 4.153 3.274 ( -0.952 3.332 5.113) 6.177 3.388 ( 4.274 -3.519 -2.396) 6.032 3.604 ( 5.810 -1.874 -0.444) 6.121 3.871 ( -4.992 1.422 -6.751) 8.516 3.991 ( 0.276 -0.879 -1.754) 1.982 4.041 ( 3.245 -0.038 1.403) 3.535 4.090 ( 3.285 -0.754 0.177) 3.375 4.509 ( -1.221 0.722 0.147) 1.426 4.582 ( 0.073 -0.103 1.366) 1.372 8.745 ( -1.964 0.548 -1.107) 2.320 8.953 ( 2.901 -0.940 1.440) 3.373 9.404 ( -3.327 1.167 1.794) 3.956 9.673 ( 3.697 -1.377 -1.699) 4.295 9.851 ( -4.798 1.093 -1.176) 5.059 10.033 ( 1.772 0.019 1.070) 2.070 10.242 ( -1.422 2.176 2.213) 3.414 10.285 ( -1.161 -0.773 0.679) 1.551 10.337 ( 0.555 -0.769 1.556) 1.822 10.413 ( 2.887 -1.085 -3.458) 4.634 27.279 ( -0.966 0.558 -2.177) 2.446 27.397 ( -2.093 0.202 -0.935) 2.301 27.548 ( -0.560 4.254 -2.253) 4.847 27.581 ( -5.967 0.503 1.701) 6.225 27.767 ( -1.029 -3.677 4.681) 6.041 28.241 ( 9.315 -1.566 -0.845) 9.483 29.317 ( -0.598 0.298 -0.590) 0.891 29.376 ( 0.497 -0.269 0.482) 0.742 ======================= Grid point 108 (70/105) ======================= q-point: (-0.60 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.672 -5.764 -6.326) 8.585 1.318 ( 2.453 3.721 -1.192) 4.613 1.452 ( -0.278 4.475 -3.066) 5.432 1.688 ( 2.233 -0.845 3.773) 4.465 1.790 ( 0.757 -1.764 0.261) 1.937 1.842 ( -2.965 -1.626 -1.020) 3.532 2.727 ( 0.099 -0.380 4.245) 4.263 2.871 ( -2.280 -2.249 4.057) 5.169 2.984 ( 4.415 2.922 -4.191) 6.753 3.288 ( 5.468 -0.167 -5.405) 7.690 3.407 ( -7.504 2.704 -5.369) 9.615 3.705 ( 2.183 4.329 2.635) 5.518 3.823 ( -2.158 -2.761 2.224) 4.151 3.993 ( -0.956 -2.676 3.874) 4.804 4.094 ( -4.822 -1.480 3.964) 6.415 4.289 ( -2.022 -3.398 2.806) 4.849 4.433 ( 4.663 -2.046 -4.973) 7.118 4.551 ( 3.107 -1.734 0.905) 3.672 8.748 ( -2.140 2.677 -1.476) 3.732 8.969 ( 1.906 -0.676 1.038) 2.273 9.352 ( 0.232 1.765 -0.658) 1.898 9.690 ( -0.751 0.227 -2.276) 2.407 9.763 ( -0.728 0.503 1.545) 1.781 10.152 ( 3.025 -2.079 -1.717) 4.052 10.185 ( -1.122 -2.112 0.439) 2.431 10.279 ( -0.987 2.970 0.227) 3.138 10.286 ( 1.387 1.107 2.863) 3.368 10.505 ( -0.537 -0.152 -0.979) 1.127 27.174 ( -2.060 -0.116 2.245) 3.050 27.303 ( -2.699 -1.622 -0.912) 3.278 27.430 ( -1.292 -1.108 -1.012) 1.980 27.528 ( 2.276 -0.270 0.025) 2.292 27.748 ( 3.679 7.142 -2.863) 8.529 28.584 ( 0.076 -2.196 1.977) 2.955 29.325 ( -0.934 0.262 -0.097) 0.975 29.357 ( 0.622 -0.277 0.147) 0.696 ======================= Grid point 110 (71/105) ======================= q-point: (-0.60 -0.15 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 1.346 -5.621 -8.202) 10.034 1.314 ( 0.363 -7.273 -11.445) 13.565 1.523 ( 1.998 2.698 1.946) 3.880 1.710 ( 0.694 -4.907 5.115) 7.122 1.732 ( -2.223 0.320 -0.720) 2.359 1.773 ( -0.616 -0.439 2.608) 2.715 2.701 ( -2.115 0.523 -1.421) 2.601 2.861 ( 0.628 0.495 4.897) 4.962 3.070 ( 1.301 2.937 -7.216) 7.898 3.364 ( 0.371 0.111 -5.228) 5.243 3.431 ( 3.959 2.916 0.716) 4.969 3.622 ( -7.018 -4.334 3.653) 9.021 3.825 ( -1.342 1.881 -0.849) 2.462 3.911 ( 1.908 -2.442 6.091) 6.834 4.052 ( -0.359 2.013 3.159) 3.763 4.197 ( -2.658 -1.019 1.733) 3.333 4.445 ( 1.469 -3.315 -0.648) 3.683 4.539 ( 1.206 -4.113 1.820) 4.656 8.758 ( -1.892 2.714 -1.025) 3.464 8.992 ( 1.536 -0.991 0.157) 1.834 9.393 ( 1.143 1.195 -3.644) 4.002 9.665 ( -0.475 -1.358 1.957) 2.429 9.799 ( 0.401 3.090 -0.639) 3.181 10.083 ( -0.109 -5.516 -0.243) 5.522 10.180 ( 0.350 0.557 -1.884) 1.996 10.282 ( -0.286 0.336 1.503) 1.566 10.372 ( 0.729 3.513 0.849) 3.687 10.494 ( -1.628 0.649 -0.083) 1.755 27.166 ( 1.509 -0.172 2.595) 3.007 27.210 ( -0.360 -3.502 1.748) 3.930 27.433 ( 0.718 0.811 -4.786) 4.907 27.560 ( 0.321 0.715 1.076) 1.331 27.970 ( 3.170 7.546 -6.024) 10.163 28.476 ( -5.437 -2.847 4.212) 7.443 29.309 ( -0.918 0.179 0.182) 0.953 29.372 ( 1.062 -0.124 -0.048) 1.071 ======================= Grid point 111 (72/105) ======================= q-point: (-0.60 -0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 2.482 -2.926 -10.383) 11.070 1.227 ( 5.979 -4.851 -9.760) 12.431 1.524 ( -1.555 -2.338 6.240) 6.843 1.677 ( -0.453 -0.440 -1.615) 1.734 1.744 ( 0.410 -0.552 3.994) 4.053 1.748 ( 3.106 0.759 1.203) 3.416 2.676 ( -1.802 1.681 -3.077) 3.943 2.875 ( 0.039 -0.414 4.565) 4.584 3.140 ( -0.744 1.420 -5.319) 5.555 3.277 ( -5.158 -4.068 -5.101) 8.317 3.479 ( -2.367 2.732 4.534) 5.799 3.593 ( 6.552 1.761 5.825) 8.942 3.829 ( 0.175 2.341 -3.605) 4.302 3.941 ( 1.331 -2.685 -0.753) 3.090 4.140 ( 3.091 3.305 2.221) 5.041 4.153 ( -1.085 2.015 -1.447) 2.707 4.384 ( 0.390 -3.395 4.279) 5.477 4.443 ( -0.966 -5.310 5.095) 7.422 8.791 ( -0.430 3.009 -1.147) 3.248 8.973 ( -0.678 -1.805 0.215) 1.940 9.427 ( 0.481 -0.280 -4.910) 4.942 9.653 ( 1.368 -0.069 3.383) 3.650 9.860 ( 0.176 1.417 -2.401) 2.794 9.980 ( -0.271 -3.373 0.171) 3.388 10.202 ( 0.419 0.899 0.418) 1.076 10.278 ( -0.162 -0.413 0.360) 0.571 10.443 ( -0.047 2.549 -0.021) 2.549 10.454 ( -3.071 0.436 0.551) 3.150 27.170 ( 2.459 -2.703 0.895) 3.763 27.224 ( 4.467 -0.277 3.093) 5.440 27.466 ( 0.457 0.732 -4.353) 4.438 27.557 ( -1.837 0.481 -0.034) 1.899 28.039 ( -6.085 -0.983 -7.493) 9.703 28.385 ( -1.100 4.234 6.514) 7.846 29.305 ( -0.082 0.486 0.051) 0.496 29.383 ( 0.443 -0.470 -0.093) 0.652 ======================= Grid point 112 (73/105) ======================= q-point: (-0.60 -0.15 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 6.580 -0.985 -10.066) 12.067 1.305 ( 4.319 -1.026 -5.055) 6.728 1.486 ( 1.045 -0.645 2.014) 2.358 1.659 ( -2.476 2.414 5.544) 6.534 1.730 ( 0.004 1.110 0.900) 1.429 1.844 ( 4.055 -1.674 -3.103) 5.374 2.714 ( -0.920 3.532 3.018) 4.736 2.844 ( 2.097 -2.683 4.150) 5.368 3.070 ( -5.799 -2.414 -4.613) 7.794 3.184 ( -0.693 3.797 -6.367) 7.446 3.515 ( -1.593 1.521 2.564) 3.380 3.724 ( 1.823 1.999 4.970) 5.658 3.824 ( 0.116 -6.002 -6.549) 8.884 3.925 ( 4.498 1.007 -0.433) 4.629 4.199 ( -0.432 -1.680 3.200) 3.640 4.267 ( 0.635 3.201 -1.406) 3.554 4.299 ( 1.864 -1.606 4.415) 5.055 4.435 ( 3.219 2.431 4.821) 6.286 8.823 ( -1.597 0.357 -3.695) 4.041 8.930 ( 0.009 -0.024 2.250) 2.250 9.396 ( -1.690 -0.905 -1.645) 2.526 9.689 ( 1.762 -0.520 -0.293) 1.860 9.820 ( -2.173 -1.804 -1.240) 3.084 10.011 ( 3.595 2.316 0.327) 4.289 10.215 ( -0.244 -0.598 0.672) 0.932 10.270 ( -0.167 0.644 1.312) 1.471 10.370 ( -4.288 -0.572 0.447) 4.349 10.493 ( 0.277 1.383 -0.664) 1.559 27.183 ( 2.808 -1.927 0.799) 3.498 27.305 ( 5.804 -2.786 2.752) 7.002 27.444 ( -1.689 -1.072 -4.203) 4.655 27.531 ( -2.146 0.953 -0.830) 2.490 27.848 ( -8.886 0.587 -3.544) 9.584 28.502 ( 1.639 4.364 3.822) 6.029 29.322 ( 0.392 0.752 -0.365) 0.923 29.368 ( -0.271 -1.127 0.226) 1.181 ======================= Grid point 119 (74/105) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 6.081 16.622 0.000) 17.700 0.942 ( 2.249 14.374 0.000) 14.549 1.420 ( -4.978 9.635 0.000) 10.845 1.491 ( -0.045 5.947 0.000) 5.947 1.897 ( 0.526 -4.945 -0.000) 4.973 1.964 ( -1.678 -3.470 -0.000) 3.855 2.741 ( 6.212 4.412 0.000) 7.619 2.832 ( 1.949 -6.667 -0.000) 6.946 3.023 ( -3.503 3.816 0.000) 5.181 3.229 ( 1.516 2.373 0.000) 2.816 3.327 ( -6.992 1.565 0.000) 7.165 3.723 ( -1.520 -0.302 -0.000) 1.550 3.793 ( 0.227 -5.159 -0.000) 5.164 4.013 ( 0.322 -0.735 -0.000) 0.802 4.282 ( -1.422 -5.523 -0.000) 5.703 4.426 ( -2.279 -3.597 -0.000) 4.258 4.537 ( 3.002 0.558 0.000) 3.053 4.555 ( 3.404 1.179 0.000) 3.603 8.631 ( -1.382 2.843 0.000) 3.161 8.977 ( 0.664 -0.162 -0.000) 0.684 9.291 ( 1.620 0.604 0.000) 1.729 9.612 ( -0.618 3.507 0.000) 3.561 9.871 ( -0.398 -5.472 -0.000) 5.487 10.042 ( 1.005 4.986 0.000) 5.086 10.218 ( 0.720 1.193 0.000) 1.394 10.240 ( -0.925 -0.654 -0.000) 1.133 10.366 ( 2.125 -4.355 -0.000) 4.846 10.539 ( -1.515 -0.530 -0.000) 1.605 27.112 ( -2.402 0.778 0.000) 2.525 27.330 ( -0.306 3.222 0.000) 3.237 27.407 ( -2.326 -1.912 -0.000) 3.011 27.506 ( 3.213 6.163 0.000) 6.951 27.708 ( 0.391 -5.790 -0.000) 5.803 28.663 ( 1.043 -2.091 -0.000) 2.336 29.309 ( -0.521 0.376 0.000) 0.642 29.369 ( 0.309 -0.164 -0.000) 0.350 ======================= Grid point 120 (75/105) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 3.765 11.100 0.000) 11.721 1.282 ( 4.079 11.405 0.000) 12.113 1.345 ( -0.832 -1.855 -0.000) 2.033 1.706 ( -1.493 7.852 0.000) 7.993 1.781 ( -0.540 -6.367 -0.000) 6.390 1.844 ( -3.081 -3.674 -0.000) 4.795 2.786 ( 3.048 -3.346 -0.000) 4.526 2.796 ( -1.104 -2.589 -0.000) 2.815 3.042 ( -5.222 5.542 0.000) 7.614 3.269 ( -3.374 3.617 0.000) 4.946 3.322 ( 3.597 3.166 0.000) 4.791 3.693 ( 0.363 -1.989 -0.000) 2.022 3.789 ( 3.483 -2.252 -0.000) 4.147 3.965 ( -1.739 -0.319 -0.000) 1.768 4.108 ( -3.623 -7.386 -0.000) 8.227 4.293 ( -2.779 -4.227 -0.000) 5.058 4.578 ( 0.304 0.506 0.000) 0.591 4.605 ( 1.144 -0.863 -0.000) 1.433 8.653 ( -1.585 2.579 0.000) 3.027 9.011 ( 2.086 0.095 0.000) 2.088 9.335 ( 0.817 1.939 0.000) 2.104 9.685 ( 1.431 3.335 0.000) 3.629 9.764 ( -0.950 -4.555 -0.000) 4.653 10.161 ( 1.362 3.269 0.000) 3.542 10.202 ( -2.609 0.063 -0.000) 2.609 10.214 ( -1.018 1.472 0.000) 1.790 10.355 ( 4.214 -4.326 -0.000) 6.040 10.489 ( -2.496 -0.203 -0.000) 2.504 27.100 ( -0.224 0.798 0.000) 0.829 27.341 ( 0.841 -3.473 -0.000) 3.574 27.417 ( 2.503 3.564 0.000) 4.355 27.608 ( -0.262 -4.475 -0.000) 4.483 27.703 ( 2.804 7.730 0.000) 8.223 28.578 ( -4.727 -2.903 -0.000) 5.547 29.301 ( -0.609 0.025 -0.000) 0.609 29.376 ( 0.561 0.001 0.000) 0.561 ======================= Grid point 121 (76/105) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.871 -4.748 -0.000) 4.828 1.469 ( 0.415 4.427 0.000) 4.446 1.540 ( 2.042 5.946 0.000) 6.287 1.675 ( 0.727 -2.832 -0.000) 2.923 1.686 ( -4.233 -1.422 -0.000) 4.466 1.712 ( -3.821 -2.821 -0.000) 4.749 2.720 ( -2.697 -1.282 -0.000) 2.986 2.816 ( 3.639 -0.252 0.000) 3.648 3.085 ( -1.555 7.969 0.000) 8.120 3.242 ( -5.465 2.309 0.000) 5.932 3.497 ( 7.951 0.876 0.000) 7.999 3.600 ( -3.577 -7.029 -0.000) 7.887 3.759 ( -4.104 1.526 0.000) 4.378 3.918 ( -1.921 -2.813 -0.000) 3.407 4.019 ( 4.481 2.217 0.000) 4.999 4.190 ( -0.833 -2.511 -0.000) 2.645 4.554 ( -1.422 -2.212 -0.000) 2.630 4.562 ( -1.383 -3.296 -0.000) 3.575 8.682 ( -0.068 2.443 0.000) 2.444 9.024 ( -0.550 -0.829 -0.000) 0.995 9.427 ( 2.912 4.185 0.000) 5.098 9.647 ( -2.238 -4.390 -0.000) 4.927 9.789 ( 2.598 3.012 0.000) 3.978 10.145 ( -2.579 -0.858 -0.000) 2.718 10.173 ( -0.304 -0.039 -0.000) 0.306 10.306 ( 1.838 4.288 0.000) 4.665 10.327 ( 1.756 -4.473 -0.000) 4.805 10.441 ( -3.008 0.487 -0.000) 3.047 27.141 ( 2.319 1.469 0.000) 2.745 27.308 ( 3.645 -4.308 -0.000) 5.643 27.529 ( -1.371 -2.022 -0.000) 2.443 27.537 ( 4.315 1.001 0.000) 4.430 27.912 ( 1.315 9.867 0.000) 9.954 28.370 ( -9.087 -4.736 -0.000) 10.247 29.294 ( 0.048 -0.049 -0.000) 0.069 29.387 ( 0.296 0.201 0.000) 0.358 ======================= Grid point 122 (77/105) ======================= q-point: ( 0.17 0.83 -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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.765 -2.010 -0.000) 2.151 1.447 ( -1.418 -2.186 -0.000) 2.606 1.550 ( -7.117 -1.106 -0.000) 7.203 1.557 ( 3.621 -3.875 -0.000) 5.304 1.689 ( -0.316 3.405 0.000) 3.419 1.775 ( 4.181 3.615 0.000) 5.527 2.647 ( -2.852 -0.018 -0.000) 2.852 2.898 ( 3.803 -0.111 0.000) 3.804 3.159 ( -4.856 0.913 -0.000) 4.941 3.232 ( -0.187 5.573 0.000) 5.576 3.318 ( -7.027 -8.006 -0.000) 10.652 3.616 ( 2.889 1.658 0.000) 3.331 3.803 ( 2.135 5.868 0.000) 6.244 3.945 ( 1.335 3.111 0.000) 3.385 4.164 ( 0.375 0.589 0.000) 0.698 4.175 ( 5.155 3.604 0.000) 6.290 4.429 ( -2.672 -6.191 -0.000) 6.743 4.447 ( -1.198 -5.319 -0.000) 5.452 8.752 ( 2.054 2.711 0.000) 3.401 8.962 ( -3.524 -1.080 -0.000) 3.686 9.512 ( -3.216 -3.900 -0.000) 5.055 9.586 ( 4.050 4.282 0.000) 5.894 9.895 ( 2.717 2.706 0.000) 3.834 10.049 ( -3.027 -3.868 -0.000) 4.912 10.179 ( 0.935 0.067 0.000) 0.937 10.267 ( -0.848 -2.389 -0.000) 2.535 10.382 ( -3.726 0.140 -0.000) 3.729 10.420 ( 2.382 3.038 0.000) 3.860 27.246 ( 4.499 2.382 0.000) 5.090 27.312 ( 5.100 -4.307 -0.000) 6.675 27.477 ( -2.612 0.637 0.000) 2.688 27.592 ( 3.146 -3.092 -0.000) 4.411 28.057 ( -11.304 -6.407 -0.000) 12.994 28.138 ( 1.158 10.788 0.000) 10.850 29.304 ( 0.859 0.175 0.000) 0.876 29.389 ( -0.507 0.058 -0.000) 0.510 ======================= Grid point 124 (78/105) ======================= q-point: ( 0.17 -0.17 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -0.812 1.400 0.000) 1.618 1.317 ( -9.448 -0.569 -0.000) 9.465 1.474 ( 1.662 -1.397 -0.000) 2.171 1.635 ( 6.425 0.623 0.000) 6.455 1.747 ( 3.252 1.116 0.000) 3.438 1.871 ( -1.727 1.767 0.000) 2.471 2.624 ( -0.121 0.828 0.000) 0.837 2.891 ( -3.607 -0.872 -0.000) 3.711 3.059 ( -0.258 -5.946 -0.000) 5.952 3.235 ( 1.063 7.288 0.000) 7.365 3.252 ( -4.233 2.678 0.000) 5.009 3.729 ( 2.749 2.413 0.000) 3.658 3.967 ( -1.467 -2.222 -0.000) 2.663 3.992 ( 4.902 5.266 0.000) 7.194 4.219 ( -1.685 -6.697 -0.000) 6.906 4.270 ( 0.600 4.992 0.000) 5.028 4.333 ( 3.778 0.840 0.000) 3.870 4.361 ( 2.832 -1.307 -0.000) 3.119 8.854 ( 2.911 2.407 0.000) 3.778 8.858 ( -4.707 -1.264 -0.000) 4.873 9.385 ( -3.369 -2.312 -0.000) 4.086 9.716 ( 3.049 1.747 0.000) 3.514 9.888 ( -3.802 -5.254 -0.000) 6.485 10.010 ( 3.129 3.636 0.000) 4.797 10.201 ( -2.924 -0.782 -0.000) 3.027 10.214 ( 2.300 0.307 0.000) 2.320 10.310 ( -3.205 -0.338 -0.000) 3.223 10.506 ( 1.960 1.290 0.000) 2.346 27.312 ( 3.489 -5.286 -0.000) 6.334 27.399 ( 5.792 2.796 0.000) 6.432 27.449 ( -3.583 2.324 0.000) 4.271 27.548 ( 1.648 -5.695 -0.000) 5.929 27.731 ( -10.045 -4.359 -0.000) 10.950 28.360 ( 1.699 9.106 0.000) 9.263 29.329 ( 1.063 0.335 0.000) 1.115 29.369 ( -1.106 -0.469 -0.000) 1.201 ======================= Grid point 125 (79/105) ======================= q-point: ( 0.17 -0.17 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -14.414 2.900 -0.000) 14.703 1.145 ( -8.855 1.133 -0.000) 8.927 1.481 ( 3.616 -4.041 -0.000) 5.423 1.753 ( -10.307 -1.120 -0.000) 10.367 1.772 ( 6.023 1.031 0.000) 6.110 1.879 ( 5.825 1.284 0.000) 5.964 2.684 ( 4.024 1.668 0.000) 4.356 2.775 ( -8.237 3.074 0.000) 8.792 3.036 ( 6.404 -4.906 -0.000) 8.067 3.230 ( -3.810 3.555 0.000) 5.211 3.440 ( -1.723 9.510 0.000) 9.665 3.759 ( 0.478 -1.887 -0.000) 1.946 3.798 ( 1.658 -12.601 -0.000) 12.710 4.054 ( -2.355 -2.943 -0.000) 3.769 4.170 ( 6.171 1.532 0.000) 6.358 4.375 ( 5.160 -1.854 -0.000) 5.483 4.430 ( 0.573 7.113 0.000) 7.136 4.479 ( 1.106 4.492 0.000) 4.626 8.737 ( -4.500 -1.794 -0.000) 4.845 8.940 ( 2.023 1.236 0.000) 2.370 9.303 ( -2.554 0.055 -0.000) 2.555 9.724 ( -4.002 -3.423 -0.000) 5.266 9.789 ( 3.745 -0.226 0.000) 3.752 10.123 ( -4.258 0.028 -0.000) 4.258 10.149 ( 1.732 5.094 0.000) 5.380 10.257 ( -1.237 -0.517 -0.000) 1.340 10.272 ( 3.714 -0.426 0.000) 3.739 10.544 ( 1.037 -0.338 -0.000) 1.091 27.222 ( -1.152 -5.702 -0.000) 5.817 27.400 ( -3.418 -0.278 -0.000) 3.429 27.460 ( 1.101 -5.393 -0.000) 5.505 27.560 ( -6.227 2.464 0.000) 6.697 27.566 ( 6.528 1.733 0.000) 6.754 28.547 ( 2.202 6.037 0.000) 6.426 29.335 ( -0.933 -0.766 -0.000) 1.207 29.354 ( 0.694 0.386 0.000) 0.794 ======================= Grid point 140 (80/105) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 1.012 -0.026 -15.858) 15.891 0.733 ( -1.269 -7.715 -14.202) 16.212 1.179 ( -0.035 -11.882 -17.908) 21.491 1.644 ( 0.254 2.438 -2.913) 3.807 1.795 ( 0.828 -1.422 7.885) 8.055 1.800 ( -0.953 -1.970 8.328) 8.611 2.765 ( -3.176 -0.961 -3.428) 4.771 2.804 ( 3.177 -3.928 -1.380) 5.237 3.136 ( 0.806 3.400 -2.306) 4.187 3.169 ( -0.103 0.416 -3.368) 3.395 3.564 ( -1.282 0.915 -1.112) 1.927 3.580 ( -0.276 2.249 -2.133) 3.112 3.791 ( 0.464 -3.335 0.791) 3.459 3.935 ( 0.724 -1.537 8.828) 8.990 4.206 ( -1.125 2.517 3.158) 4.192 4.336 ( 1.309 -1.253 5.568) 5.855 4.370 ( -0.287 -2.868 6.561) 7.166 4.442 ( -0.107 -1.088 3.251) 3.430 8.863 ( -0.393 5.150 -3.185) 6.068 8.943 ( 0.552 -0.560 1.142) 1.387 9.265 ( -0.386 -5.002 -3.176) 5.938 9.579 ( 0.083 -1.192 -3.148) 3.367 9.915 ( -0.101 -0.664 -1.560) 1.698 10.008 ( 0.388 3.372 5.896) 6.803 10.196 ( -1.351 0.132 -1.382) 1.937 10.223 ( 1.079 -2.107 -1.225) 2.666 10.516 ( -0.275 1.947 -0.863) 2.148 10.553 ( 0.295 1.434 1.457) 2.065 27.131 ( 0.411 -1.186 2.914) 3.173 27.151 ( -0.575 -3.018 3.458) 4.626 27.490 ( -0.688 6.772 -5.746) 8.908 27.568 ( 0.689 0.707 -3.019) 3.176 28.007 ( 0.450 2.741 -5.665) 6.309 28.567 ( -0.255 -1.971 5.494) 5.843 29.315 ( 0.007 -0.009 -0.674) 0.674 29.363 ( -0.022 0.005 0.341) 0.341 ======================= Grid point 145 (81/105) ======================= q-point: ( 0.69 -0.19 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -2.826 2.319 -0.585) 3.703 1.377 ( 1.088 -0.888 0.935) 1.688 1.501 ( -2.103 0.244 1.127) 2.399 1.552 ( 1.485 0.917 -0.620) 1.852 1.674 ( -0.299 0.185 -0.674) 0.760 1.779 ( 3.326 -3.485 -0.031) 4.818 2.666 ( -1.745 1.643 -1.402) 2.776 2.736 ( 1.982 -1.954 1.438) 3.132 3.138 ( -2.921 2.819 1.659) 4.386 3.265 ( 1.507 -1.066 2.866) 3.409 3.355 ( -0.829 0.462 -4.992) 5.081 3.493 ( 4.504 -4.351 0.941) 6.333 3.943 ( -2.203 0.969 -3.305) 4.088 3.980 ( 1.014 0.420 2.922) 3.121 4.012 ( 0.107 -0.878 -1.217) 1.505 4.034 ( 1.874 -1.344 1.036) 2.528 4.536 ( -1.211 0.913 -0.705) 1.673 4.573 ( 0.707 -0.430 0.298) 0.880 8.790 ( -2.261 2.227 0.357) 3.194 8.892 ( 2.782 -2.752 -0.287) 3.924 9.472 ( -3.164 3.138 0.964) 4.560 9.601 ( 3.275 -3.267 -0.865) 4.706 9.928 ( -2.707 2.641 0.420) 3.805 10.003 ( 1.247 -1.142 -0.358) 1.728 10.274 ( -1.961 1.873 0.400) 2.741 10.303 ( -0.033 1.158 1.058) 1.569 10.331 ( -0.406 -2.322 1.185) 2.638 10.354 ( 2.924 -1.269 -2.498) 4.049 27.309 ( -1.858 2.207 0.412) 2.914 27.393 ( 1.781 -2.345 -0.586) 3.003 27.577 ( -2.491 3.135 -1.951) 4.454 27.654 ( 0.018 -1.303 1.150) 1.738 27.820 ( -4.671 5.957 2.325) 7.919 28.078 ( 6.676 -7.100 -1.287) 9.830 29.332 ( -0.749 0.748 -0.134) 1.067 29.362 ( 0.735 -0.738 0.156) 1.053 ======================= Grid point 149 (82/105) ======================= q-point: (-0.54 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -0.523 -6.675 -10.213) 12.212 1.305 ( 0.629 -5.401 -8.631) 10.201 1.489 ( 1.077 0.944 2.354) 2.755 1.693 ( 1.094 -1.476 7.016) 7.253 1.759 ( 1.537 -1.291 1.896) 2.761 1.792 ( -3.258 -2.423 -4.541) 6.092 2.742 ( -1.551 1.703 3.583) 4.260 2.830 ( 1.911 -1.589 3.690) 4.449 3.051 ( 0.332 3.793 -5.816) 6.952 3.277 ( 5.549 -0.425 -6.908) 8.871 3.472 ( -4.665 3.700 -1.710) 6.194 3.731 ( -3.921 -5.396 -0.031) 6.670 3.786 ( 3.625 2.666 3.791) 5.884 3.918 ( -1.457 -4.482 2.717) 5.440 4.107 ( -5.011 1.818 4.585) 7.031 4.244 ( -1.929 -1.113 3.867) 4.462 4.386 ( 4.567 -2.830 -1.753) 5.652 4.495 ( 3.149 -3.978 2.301) 5.571 8.800 ( -2.187 2.662 -2.571) 4.299 8.953 ( 2.044 -0.867 1.104) 2.480 9.384 ( -0.208 1.338 -2.152) 2.543 9.676 ( -0.691 -1.273 -0.490) 1.529 9.799 ( -0.464 2.633 0.444) 2.710 10.059 ( 2.271 -5.208 0.093) 5.682 10.193 ( -1.303 1.039 -1.433) 2.198 10.283 ( 0.358 -0.333 1.993) 2.052 10.363 ( 0.030 4.369 0.518) 4.400 10.508 ( 0.092 0.417 -0.359) 0.558 27.158 ( -0.577 -1.561 1.679) 2.364 27.242 ( -2.838 -4.207 2.001) 5.455 27.434 ( -0.475 1.722 -4.707) 5.034 27.546 ( 0.875 1.724 0.352) 1.966 27.897 ( 3.843 7.905 -4.490) 9.870 28.538 ( -0.734 -2.525 3.873) 4.682 29.328 ( -0.671 0.063 -0.436) 0.803 29.354 ( 0.387 -0.094 0.434) 0.589 ======================= Grid point 150 (83/105) ======================= q-point: (-0.54 -0.21 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 2.217 -2.906 -11.792) 12.346 1.160 ( 0.778 -7.997 -12.805) 15.117 1.550 ( -0.540 -0.774 6.323) 6.393 1.609 ( 4.464 -3.499 -1.170) 5.791 1.702 ( 0.515 -2.849 3.998) 4.936 1.774 ( -0.889 -0.328 0.600) 1.121 2.720 ( -2.707 1.298 -2.375) 3.828 2.872 ( 1.123 0.130 4.321) 4.466 3.137 ( 0.812 3.753 -5.803) 6.958 3.336 ( 0.092 -2.496 -7.525) 7.929 3.490 ( 1.671 2.732 2.527) 4.079 3.544 ( -4.065 -2.258 5.287) 7.041 3.842 ( -0.702 -0.428 -2.387) 2.524 3.893 ( 3.539 -0.313 2.847) 4.553 4.092 ( 0.653 1.866 3.131) 3.703 4.194 ( -2.656 0.950 2.133) 3.536 4.372 ( 1.407 -4.413 3.142) 5.597 4.446 ( 0.848 -4.861 3.733) 6.187 8.812 ( -1.719 2.925 -1.337) 3.646 8.968 ( 1.104 -1.406 0.336) 1.819 9.406 ( 1.209 -0.019 -5.232) 5.370 9.640 ( 0.039 -1.286 2.268) 2.608 9.857 ( 0.192 2.764 -0.189) 2.777 9.985 ( 0.049 -4.070 0.334) 4.084 10.199 ( -0.267 1.104 -1.454) 1.845 10.277 ( 0.213 -0.736 0.651) 1.006 10.442 ( -0.068 3.580 0.470) 3.611 10.506 ( -1.828 0.590 0.396) 1.962 27.137 ( 1.059 -2.602 1.365) 3.124 27.159 ( 1.933 -1.824 2.699) 3.788 27.472 ( -0.978 3.151 -5.071) 6.050 27.580 ( -0.628 1.273 0.204) 1.434 28.088 ( 0.883 4.084 -7.678) 8.741 28.435 ( -3.542 -1.026 6.874) 7.800 29.314 ( -0.816 0.367 -0.088) 0.899 29.368 ( 1.000 -0.259 0.067) 1.035 ======================= Grid point 151 (84/105) ======================= q-point: (-0.54 -0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 2.846 -1.822 -14.069) 14.469 1.163 ( 8.609 -1.483 -9.371) 12.811 1.488 ( -0.761 -0.770 8.003) 8.076 1.654 ( 2.845 -2.010 -1.446) 3.771 1.726 ( 2.549 -1.194 3.424) 4.432 1.767 ( 1.897 0.963 -1.148) 2.417 2.726 ( -0.630 3.615 -0.436) 3.696 2.841 ( -1.191 -2.848 5.096) 5.958 3.161 ( -3.523 -0.167 -8.025) 8.766 3.221 ( -3.041 -0.055 -4.045) 5.061 3.548 ( -1.474 3.263 1.728) 3.975 3.623 ( 6.657 0.928 6.683) 9.479 3.829 ( 1.392 -4.599 -0.757) 4.865 3.872 ( 0.010 -0.541 -5.095) 5.124 4.186 ( 1.460 0.728 0.900) 1.863 4.233 ( 2.546 4.481 2.395) 5.683 4.295 ( -0.216 -4.431 4.892) 6.604 4.386 ( 1.342 -0.492 6.259) 6.420 8.846 ( -1.018 2.318 -2.230) 3.374 8.935 ( -0.387 -1.716 0.872) 1.963 9.413 ( 0.176 -1.049 -3.929) 4.070 9.649 ( 2.179 -0.253 0.973) 2.400 9.862 ( -2.128 -0.731 -0.103) 2.252 9.957 ( 1.831 0.573 0.266) 1.937 10.220 ( -0.151 0.572 0.400) 0.714 10.266 ( 0.457 -0.518 -0.447) 0.823 10.451 ( -3.912 -0.197 0.534) 3.953 10.494 ( -0.387 2.103 0.156) 2.144 27.130 ( 2.446 -1.334 1.227) 3.044 27.199 ( 4.913 -2.085 2.704) 5.983 27.485 ( -2.610 1.042 -4.096) 4.967 27.573 ( -2.027 0.890 -1.472) 2.659 28.015 ( -7.835 -0.393 -5.519) 9.592 28.466 ( 1.951 3.140 5.549) 6.667 29.317 ( -0.019 0.803 -0.257) 0.843 29.369 ( 0.178 -0.997 0.127) 1.020 ======================= Grid point 160 (85/105) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 5.074 13.735 0.000) 14.643 1.191 ( 3.301 10.985 0.000) 11.470 1.396 ( -4.113 -3.091 -0.000) 5.145 1.732 ( -1.144 10.210 0.000) 10.274 1.784 ( 0.236 -6.670 -0.000) 6.675 1.884 ( -0.907 -4.677 -0.000) 4.764 2.728 ( 2.754 -3.924 -0.000) 4.794 2.819 ( -0.146 2.899 0.000) 2.903 3.010 ( 3.399 -2.295 -0.000) 4.101 3.287 ( 1.585 3.577 0.000) 3.912 3.457 ( -11.813 9.256 0.000) 15.007 3.675 ( 5.683 -6.189 -0.000) 8.402 3.713 ( -2.295 -0.839 -0.000) 2.444 4.014 ( -2.218 0.688 0.000) 2.323 4.161 ( -1.890 -6.795 -0.000) 7.053 4.342 ( -1.999 -4.948 -0.000) 5.336 4.539 ( 3.880 -0.523 0.000) 3.915 4.559 ( 3.498 -0.936 -0.000) 3.621 8.694 ( -2.431 3.616 0.000) 4.357 8.970 ( 1.895 -0.599 -0.000) 1.987 9.316 ( 1.016 1.854 0.000) 2.114 9.680 ( -0.985 3.541 0.000) 3.676 9.779 ( -0.699 -3.986 -0.000) 4.047 10.135 ( 1.120 4.392 0.000) 4.533 10.232 ( 0.988 0.286 0.000) 1.029 10.239 ( -1.260 0.799 0.000) 1.492 10.272 ( 2.720 -5.245 -0.000) 5.908 10.527 ( -1.395 -0.641 -0.000) 1.535 27.134 ( -3.238 1.230 0.000) 3.464 27.366 ( -3.448 -2.443 -0.000) 4.225 27.392 ( 0.152 3.150 0.000) 3.154 27.598 ( 1.231 -5.189 -0.000) 5.333 27.633 ( 4.182 7.108 0.000) 8.246 28.617 ( 0.874 -2.681 -0.000) 2.819 29.317 ( -0.984 0.456 0.000) 1.084 29.364 ( 0.628 -0.356 -0.000) 0.722 ======================= Grid point 161 (86/105) ======================= q-point: ( 0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.600 -4.259 -0.000) 4.301 1.429 ( 3.427 5.910 0.000) 6.832 1.496 ( 2.375 6.865 0.000) 7.264 1.656 ( 0.614 -6.459 -0.000) 6.488 1.778 ( -4.652 0.201 -0.000) 4.657 1.779 ( -2.261 -2.790 -0.000) 3.591 2.743 ( 3.583 -0.995 -0.000) 3.718 2.763 ( -2.140 -0.455 -0.000) 2.188 3.118 ( 1.256 2.989 0.000) 3.242 3.340 ( -3.909 3.474 0.000) 5.230 3.407 ( -1.559 4.314 0.000) 4.587 3.637 ( -1.226 -4.092 -0.000) 4.272 3.763 ( 4.176 0.253 0.000) 4.184 3.973 ( -3.206 -6.100 -0.000) 6.891 3.986 ( -1.575 2.076 0.000) 2.606 4.214 ( -1.554 -3.627 -0.000) 3.945 4.561 ( 0.890 -2.241 -0.000) 2.411 4.566 ( 1.165 -3.241 -0.000) 3.443 8.708 ( -2.423 3.042 0.000) 3.889 9.005 ( 2.139 -0.594 -0.000) 2.220 9.383 ( 1.694 2.934 0.000) 3.388 9.686 ( -1.762 -3.520 -0.000) 3.936 9.751 ( 1.206 3.453 0.000) 3.658 10.181 ( -0.928 -2.913 -0.000) 3.057 10.189 ( -1.000 0.665 0.000) 1.200 10.278 ( 3.009 -2.730 -0.000) 4.063 10.280 ( 0.780 4.190 0.000) 4.262 10.490 ( -2.009 0.282 -0.000) 2.028 27.121 ( -0.276 1.206 0.000) 1.237 27.269 ( 0.092 -3.865 -0.000) 3.866 27.472 ( 2.272 2.163 0.000) 3.137 27.541 ( 0.188 -2.263 -0.000) 2.271 27.865 ( 3.507 8.896 0.000) 9.563 28.511 ( -5.157 -4.048 -0.000) 6.556 29.302 ( -0.926 0.135 -0.000) 0.935 29.375 ( 0.913 -0.096 0.000) 0.918 ======================= Grid point 162 (87/105) ======================= q-point: (-0.78 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.526 -2.257 -0.000) 2.317 1.471 ( -1.180 -3.646 -0.000) 3.832 1.513 ( 0.576 -5.859 -0.000) 5.887 1.658 ( 2.660 -1.279 -0.000) 2.952 1.686 ( -1.321 1.990 0.000) 2.389 1.712 ( -2.034 2.416 0.000) 3.158 2.718 ( -3.872 0.835 -0.000) 3.961 2.814 ( 4.197 -0.273 0.000) 4.206 3.222 ( 1.178 6.056 0.000) 6.169 3.265 ( -6.044 0.152 -0.000) 6.046 3.454 ( -6.095 -7.351 -0.000) 9.550 3.527 ( 5.267 2.052 0.000) 5.652 3.806 ( -1.310 3.286 0.000) 3.538 3.910 ( 1.892 1.465 0.000) 2.392 4.074 ( 4.685 3.020 0.000) 5.574 4.161 ( -0.064 -0.377 -0.000) 0.382 4.474 ( -1.576 -5.770 -0.000) 5.982 4.478 ( -1.595 -5.406 -0.000) 5.636 8.736 ( -0.468 3.102 0.000) 3.137 9.003 ( -0.632 -1.349 -0.000) 1.490 9.508 ( 3.930 3.984 0.000) 5.596 9.571 ( -2.952 -3.437 -0.000) 4.531 9.849 ( 2.017 3.122 0.000) 3.717 10.087 ( -0.928 -5.211 -0.000) 5.293 10.177 ( -0.715 0.403 0.000) 0.820 10.273 ( 0.196 -0.883 -0.000) 0.904 10.381 ( 1.585 3.496 0.000) 3.838 10.450 ( -3.114 0.316 -0.000) 3.130 27.174 ( 2.844 1.619 0.000) 3.273 27.228 ( 3.311 -3.891 -0.000) 5.110 27.515 ( -1.254 0.602 0.000) 1.391 27.536 ( 2.388 -0.829 -0.000) 2.528 28.106 ( 2.356 9.924 0.000) 10.200 28.265 ( -9.809 -5.913 -0.000) 11.453 29.296 ( -0.044 0.265 0.000) 0.268 29.389 ( 0.488 -0.044 0.000) 0.490 ======================= Grid point 164 (88/105) ======================= q-point: ( 0.22 0.78 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 1.188 2.125 0.000) 2.435 1.379 ( 0.744 -4.516 -0.000) 4.577 1.502 ( 6.845 -1.573 -0.000) 7.023 1.546 ( -6.559 0.322 -0.000) 6.567 1.720 ( -0.161 0.410 0.000) 0.440 1.846 ( 3.985 3.255 0.000) 5.146 2.661 ( -3.374 1.102 0.000) 3.549 2.856 ( 3.946 -3.525 -0.000) 5.291 3.175 ( -8.199 -3.335 -0.000) 8.851 3.230 ( -1.026 2.961 0.000) 3.134 3.320 ( -2.326 3.872 0.000) 4.517 3.662 ( 4.234 2.412 0.000) 4.873 3.906 ( 3.640 4.177 0.000) 5.541 3.979 ( 0.415 -0.389 -0.000) 0.569 4.214 ( 1.731 3.763 0.000) 4.142 4.242 ( 5.646 2.713 0.000) 6.264 4.297 ( -2.847 -6.152 -0.000) 6.779 4.333 ( -0.241 -5.281 -0.000) 5.287 8.811 ( 1.465 3.324 0.000) 3.632 8.935 ( -3.044 -1.796 -0.000) 3.535 9.450 ( -3.355 -2.486 -0.000) 4.176 9.654 ( 3.600 2.541 0.000) 4.406 9.946 ( -2.183 -5.846 -0.000) 6.241 9.950 ( 2.873 2.876 0.000) 4.065 10.187 ( 0.578 0.795 0.000) 0.983 10.248 ( -1.907 -0.059 -0.000) 1.908 10.380 ( -3.848 -0.420 -0.000) 3.870 10.469 ( 1.729 2.068 0.000) 2.695 27.234 ( 4.224 -3.672 -0.000) 5.597 27.287 ( 5.514 1.326 0.000) 5.671 27.509 ( -2.568 2.193 0.000) 3.377 27.524 ( 0.777 -3.256 -0.000) 3.347 27.940 ( -11.253 -5.097 -0.000) 12.354 28.328 ( 1.844 8.565 0.000) 8.762 29.311 ( 0.712 0.553 0.000) 0.901 29.384 ( -0.437 -0.610 -0.000) 0.751 ======================= Grid point 166 (89/105) ======================= q-point: ( 0.22 -0.22 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -3.035 3.912 0.000) 4.951 1.313 ( -3.556 -0.544 -0.000) 3.597 1.444 ( -3.038 -1.023 -0.000) 3.206 1.646 ( 6.956 0.308 0.000) 6.962 1.769 ( 4.598 1.460 0.000) 4.825 1.883 ( -3.118 -0.537 -0.000) 3.163 2.647 ( -0.107 1.477 0.000) 1.481 2.898 ( 5.323 -0.678 0.000) 5.366 2.950 ( -7.632 -2.222 -0.000) 7.949 3.312 ( -4.527 3.358 0.000) 5.637 3.406 ( 3.981 9.205 0.000) 10.029 3.740 ( 1.818 -1.455 -0.000) 2.328 3.843 ( -4.623 -10.190 -0.000) 11.190 4.050 ( 6.113 0.381 0.000) 6.125 4.099 ( -2.473 -4.076 -0.000) 4.767 4.276 ( 4.578 -2.230 -0.000) 5.092 4.404 ( 2.149 6.818 0.000) 7.148 4.432 ( 3.684 4.599 0.000) 5.893 8.822 ( -4.124 -2.476 -0.000) 4.810 8.903 ( 1.679 2.652 0.000) 3.139 9.357 ( -2.944 -0.578 -0.000) 3.000 9.730 ( 2.530 -0.163 0.000) 2.535 9.795 ( -3.292 -3.882 -0.000) 5.090 10.088 ( 4.214 4.295 0.000) 6.017 10.198 ( -3.325 0.230 -0.000) 3.333 10.222 ( 1.458 0.436 0.000) 1.522 10.297 ( -2.943 -0.937 -0.000) 3.089 10.521 ( 1.181 0.299 0.000) 1.218 27.219 ( 1.438 -4.253 -0.000) 4.489 27.398 ( 5.865 -4.555 -0.000) 7.426 27.468 ( -3.629 -0.647 -0.000) 3.686 27.486 ( 0.960 1.218 0.000) 1.551 27.706 ( -8.709 2.137 0.000) 8.967 28.504 ( 2.277 5.413 0.000) 5.873 29.339 ( 0.780 0.706 0.000) 1.052 29.353 ( -0.818 -1.177 -0.000) 1.434 ======================= Grid point 182 (90/105) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 -0.000 -15.229) 15.229 0.651 ( 0.000 -0.000 -15.229) 15.229 1.042 ( 0.000 -0.000 -22.767) 22.767 1.672 ( 0.000 -0.000 -5.477) 5.477 1.777 ( -0.000 0.000 9.861) 9.861 1.777 ( -0.000 0.000 9.861) 9.861 2.755 ( 0.000 -0.000 -3.961) 3.961 2.755 ( 0.000 -0.000 -3.961) 3.961 3.167 ( 0.000 -0.000 -2.952) 2.952 3.167 ( 0.000 -0.000 -2.952) 2.952 3.602 ( 0.000 -0.000 -2.110) 2.110 3.602 ( 0.000 -0.000 -2.110) 2.110 3.738 ( -0.000 0.000 1.908) 1.908 3.923 ( -0.000 0.000 8.575) 8.575 4.247 ( -0.000 0.000 2.456) 2.456 4.321 ( -0.000 0.000 6.719) 6.719 4.321 ( -0.000 0.000 6.719) 6.719 4.432 ( -0.000 0.000 3.180) 3.180 8.937 ( -0.000 0.000 1.209) 1.209 8.937 ( -0.000 0.000 1.209) 1.209 9.188 ( 0.000 -0.000 -6.825) 6.825 9.568 ( 0.000 -0.000 -3.264) 3.264 9.910 ( 0.000 -0.000 -1.936) 1.936 10.048 ( -0.000 0.000 7.605) 7.605 10.197 ( 0.000 -0.000 -1.849) 1.849 10.197 ( 0.000 -0.000 -1.849) 1.849 10.531 ( 0.000 -0.000 -1.446) 1.446 10.573 ( -0.000 0.000 2.112) 2.112 27.120 ( -0.000 0.000 3.017) 3.017 27.120 ( -0.000 0.000 3.017) 3.017 27.575 ( 0.000 -0.000 -3.113) 3.113 27.575 ( 0.000 -0.000 -3.113) 3.113 28.030 ( 0.000 -0.000 -5.538) 5.538 28.542 ( -0.000 0.000 4.583) 4.583 29.315 ( 0.000 -0.000 -0.709) 0.709 29.363 ( -0.000 0.000 0.313) 0.313 ======================= Grid point 191 (91/105) ======================= q-point: (-0.49 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -0.141 -3.425 -13.584) 14.009 1.158 ( 0.201 -8.731 -11.631) 14.545 1.506 ( 2.665 0.779 6.357) 6.937 1.607 ( -2.353 -5.847 0.426) 6.317 1.705 ( -0.769 -3.666 2.269) 4.380 1.780 ( 0.220 -0.550 -0.473) 0.758 2.779 ( -3.268 1.599 1.544) 3.952 2.812 ( 4.586 -0.407 2.448) 5.215 3.135 ( -1.040 4.990 -6.212) 8.036 3.277 ( 4.235 0.325 -6.712) 7.943 3.541 ( -4.139 3.175 -0.245) 5.222 3.611 ( -2.263 -5.817 4.104) 7.470 3.802 ( 3.003 -1.970 3.912) 5.311 3.868 ( -0.401 -0.090 -2.772) 2.803 4.130 ( -4.071 0.346 3.341) 5.278 4.242 ( -1.950 0.551 4.482) 4.919 4.322 ( 3.632 -3.907 2.682) 5.971 4.411 ( 2.383 -4.006 3.540) 5.853 8.851 ( -1.782 2.509 -2.277) 3.828 8.936 ( 1.753 -0.855 0.989) 2.187 9.396 ( -0.355 -0.323 -4.186) 4.214 9.644 ( -0.313 -1.936 0.690) 2.079 9.854 ( -0.001 2.904 0.896) 3.040 9.975 ( 0.883 -3.141 0.310) 3.278 10.213 ( -0.969 0.909 -1.518) 2.017 10.269 ( 0.590 -1.115 0.671) 1.429 10.446 ( -0.315 4.073 0.503) 4.116 10.520 ( 0.386 0.747 0.284) 0.888 27.120 ( 0.341 -2.096 1.510) 2.606 27.159 ( -1.536 -4.010 2.378) 4.909 27.491 ( -0.594 4.053 -4.705) 6.238 27.583 ( 0.203 1.887 -0.623) 1.998 28.041 ( 2.793 6.604 -5.960) 9.324 28.487 ( -1.113 -2.662 5.766) 6.448 29.329 ( -0.176 0.008 -0.636) 0.660 29.353 ( 0.014 0.046 0.537) 0.539 ======================= Grid point 192 (92/105) ======================= q-point: (-0.49 -0.26 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 1.553 -0.882 -14.216) 14.328 1.027 ( 3.968 -4.863 -11.897) 13.451 1.491 ( 0.853 -2.721 1.557) 3.249 1.593 ( 2.456 -1.124 -3.275) 4.245 1.645 ( 3.652 -2.082 9.050) 9.978 1.761 ( 0.029 -0.574 -0.140) 0.592 2.750 ( -1.848 1.946 -1.425) 3.038 2.850 ( 1.063 -2.347 2.873) 3.859 3.209 ( -1.378 3.617 -6.118) 7.240 3.279 ( -2.189 -2.844 -6.379) 7.319 3.534 ( 0.950 1.793 3.246) 3.828 3.565 ( -0.379 3.841 3.144) 4.978 3.812 ( 0.366 -4.334 -0.716) 4.408 3.853 ( 2.652 -1.953 -0.170) 3.298 4.143 ( 2.047 3.437 2.766) 4.864 4.217 ( -1.122 -0.244 3.214) 3.413 4.280 ( 1.723 -3.476 4.372) 5.846 4.374 ( 0.477 -2.390 5.464) 5.983 8.868 ( -1.309 2.701 -0.842) 3.118 8.938 ( 0.262 -1.666 0.498) 1.758 9.390 ( 1.791 -1.447 -6.147) 6.564 9.618 ( 0.870 -0.756 1.477) 1.874 9.896 ( -1.205 1.075 1.649) 2.308 9.939 ( 0.255 -0.665 0.129) 0.724 10.219 ( 0.019 0.957 -0.848) 1.279 10.256 ( 0.581 -1.318 -0.681) 1.594 10.503 ( -0.778 2.418 0.588) 2.608 10.515 ( -2.107 0.422 0.471) 2.200 27.095 ( 1.054 -1.452 1.565) 2.381 27.122 ( 2.910 -1.880 2.212) 4.110 27.542 ( -2.896 3.410 -3.788) 5.862 27.604 ( -1.060 0.995 -1.244) 1.914 28.125 ( -2.933 0.413 -7.249) 7.831 28.438 ( 0.474 0.888 7.014) 7.085 29.323 ( -0.458 0.512 -0.405) 0.798 29.361 ( 0.516 -0.459 0.239) 0.731 ======================= Grid point 202 (93/105) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -2.160 -3.410 -0.000) 4.037 1.349 ( 4.542 4.941 0.000) 6.711 1.453 ( 1.775 8.111 0.000) 8.303 1.649 ( 0.145 -7.036 -0.000) 7.038 1.794 ( 0.610 -4.133 -0.000) 4.178 1.851 ( -2.776 2.333 0.000) 3.627 2.684 ( 2.448 -0.510 0.000) 2.501 2.821 ( -4.019 -2.065 -0.000) 4.518 3.023 ( 6.214 3.605 0.000) 7.184 3.365 ( 1.366 4.382 0.000) 4.590 3.519 ( -2.795 -4.576 -0.000) 5.362 3.676 ( -0.623 7.809 0.000) 7.834 3.683 ( -3.531 -2.503 -0.000) 4.328 4.026 ( -2.194 -6.876 -0.000) 7.218 4.037 ( -2.926 1.655 0.000) 3.362 4.245 ( -1.523 -4.649 -0.000) 4.892 4.513 ( 4.187 -2.241 -0.000) 4.749 4.517 ( 3.758 -3.430 -0.000) 5.088 8.765 ( -3.222 3.582 0.000) 4.818 8.956 ( 2.747 -0.803 -0.000) 2.862 9.359 ( 0.724 2.539 0.000) 2.640 9.715 ( -1.240 -2.738 -0.000) 3.006 9.747 ( -1.018 3.380 0.000) 3.531 10.165 ( 2.982 -5.776 -0.000) 6.501 10.201 ( -0.139 2.281 0.000) 2.285 10.233 ( 1.068 -0.015 0.000) 1.068 10.279 ( -0.654 3.370 0.000) 3.433 10.517 ( -0.754 -0.341 -0.000) 0.827 27.151 ( -2.663 0.279 -0.000) 2.678 27.306 ( -3.755 -3.886 -0.000) 5.404 27.452 ( -0.210 3.182 0.000) 3.189 27.522 ( 1.669 -2.348 -0.000) 2.881 27.782 ( 4.709 8.256 0.000) 9.504 28.560 ( 0.199 -3.201 -0.000) 3.207 29.326 ( -1.423 0.452 0.000) 1.493 29.356 ( 0.994 -0.449 -0.000) 1.090 ======================= Grid point 203 (94/105) ======================= q-point: (-0.72 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -0.246 -2.909 -0.000) 2.919 1.480 ( 1.265 -1.892 -0.000) 2.276 1.526 ( -1.343 -3.499 -0.000) 3.748 1.540 ( 5.329 -3.932 -0.000) 6.623 1.742 ( -1.460 -1.151 -0.000) 1.859 1.770 ( -3.836 -0.138 -0.000) 3.838 2.746 ( 2.796 1.011 0.000) 2.973 2.776 ( -1.754 1.402 0.000) 2.245 3.175 ( 3.673 3.200 0.000) 4.872 3.390 ( -6.337 1.262 -0.000) 6.462 3.464 ( 0.954 1.749 0.000) 1.992 3.535 ( -2.497 -5.998 -0.000) 6.497 3.808 ( 1.114 3.884 0.000) 4.041 3.888 ( 0.096 -2.482 -0.000) 2.483 4.028 ( -0.430 1.884 0.000) 1.933 4.166 ( -0.538 -1.044 -0.000) 1.175 4.479 ( 1.215 -5.698 -0.000) 5.826 4.493 ( 0.448 -4.751 -0.000) 4.772 8.767 ( -2.615 3.049 0.000) 4.017 8.989 ( 1.874 -1.065 -0.000) 2.156 9.442 ( 2.622 3.070 0.000) 4.037 9.625 ( -2.537 -2.861 -0.000) 3.824 9.817 ( 1.156 3.355 0.000) 3.548 10.086 ( 0.967 -5.986 -0.000) 6.063 10.201 ( -1.632 0.670 0.000) 1.764 10.261 ( 1.025 0.219 0.000) 1.048 10.360 ( 0.611 4.024 0.000) 4.070 10.497 ( -1.709 0.361 -0.000) 1.746 27.138 ( 0.832 0.329 0.000) 0.895 27.193 ( 0.127 -3.878 -0.000) 3.880 27.507 ( 0.482 1.651 0.000) 1.720 27.525 ( 0.215 0.618 0.000) 0.654 28.041 ( 4.302 9.125 0.000) 10.088 28.423 ( -6.142 -4.970 -0.000) 7.901 29.307 ( -1.079 0.308 0.000) 1.122 29.372 ( 1.181 -0.179 0.000) 1.194 ======================= Grid point 205 (95/105) ======================= q-point: ( 0.28 0.72 -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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 1.311 1.453 0.000) 1.957 1.367 ( 0.399 -6.461 -0.000) 6.473 1.401 ( 2.480 -4.842 -0.000) 5.440 1.626 ( -0.124 -1.802 -0.000) 1.806 1.735 ( -1.103 0.162 -0.000) 1.115 1.748 ( 4.325 3.461 0.000) 5.539 2.741 ( -4.348 1.224 0.000) 4.517 2.793 ( 2.269 -1.959 -0.000) 2.998 3.269 ( -4.021 1.052 0.000) 4.156 3.323 ( 2.346 4.600 0.000) 5.163 3.334 ( -6.882 -4.980 -0.000) 8.494 3.571 ( 4.578 2.333 0.000) 5.138 3.867 ( 0.474 2.022 0.000) 2.077 3.945 ( 3.138 1.264 0.000) 3.383 4.128 ( 5.545 2.684 0.000) 6.161 4.184 ( 1.008 2.938 0.000) 3.106 4.345 ( -1.626 -7.189 -0.000) 7.371 4.359 ( -1.963 -6.215 -0.000) 6.517 8.800 ( -0.360 3.419 0.000) 3.438 8.972 ( -0.731 -1.916 -0.000) 2.050 9.514 ( -3.202 -2.579 -0.000) 4.112 9.575 ( 4.392 2.826 0.000) 5.223 9.904 ( 1.823 2.473 0.000) 3.072 9.974 ( -0.718 -5.674 -0.000) 5.720 10.190 ( -0.809 0.949 0.000) 1.246 10.272 ( -0.468 0.183 0.000) 0.503 10.443 ( 0.873 2.940 0.000) 3.067 10.452 ( -3.400 -0.097 -0.000) 3.402 27.161 ( 3.011 -2.930 -0.000) 4.202 27.192 ( 4.141 -0.013 0.000) 4.141 27.520 ( -0.424 -0.385 -0.000) 0.573 27.547 ( -1.330 2.430 0.000) 2.770 28.152 ( -10.314 -5.293 -0.000) 11.593 28.282 ( 3.093 7.857 0.000) 8.444 29.304 ( -0.067 0.634 0.000) 0.637 29.384 ( 0.469 -0.541 -0.000) 0.716 ======================= Grid point 207 (96/105) ======================= q-point: ( 0.28 0.72 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 1.271 5.038 0.000) 5.196 1.286 ( 2.706 -4.751 -0.000) 5.468 1.493 ( 8.793 0.319 0.000) 8.799 1.552 ( -4.427 0.140 -0.000) 4.430 1.727 ( 0.203 0.577 0.000) 0.611 1.883 ( 2.741 0.174 0.000) 2.746 2.682 ( -3.260 1.065 0.000) 3.430 2.798 ( 3.730 -1.824 -0.000) 4.152 3.112 ( -8.071 -1.929 -0.000) 8.298 3.335 ( 2.624 6.195 0.000) 6.728 3.392 ( -3.210 3.625 0.000) 4.842 3.681 ( 4.235 -1.242 -0.000) 4.413 3.923 ( -2.944 -5.179 -0.000) 5.958 3.937 ( 5.425 -1.066 0.000) 5.529 4.150 ( -2.532 -5.374 -0.000) 5.940 4.216 ( 1.548 -2.785 -0.000) 3.187 4.343 ( 5.218 4.227 0.000) 6.715 4.349 ( 3.288 6.225 0.000) 7.041 8.877 ( 1.013 3.413 0.000) 3.560 8.890 ( -2.794 -2.824 -0.000) 3.973 9.415 ( -3.008 -1.082 -0.000) 3.197 9.681 ( 2.873 0.242 0.000) 2.883 9.850 ( -2.417 -3.658 -0.000) 4.384 10.004 ( 4.075 2.742 0.000) 4.912 10.208 ( 0.104 1.374 0.000) 1.378 10.248 ( -1.789 -0.293 -0.000) 1.813 10.367 ( -4.119 -0.726 -0.000) 4.183 10.501 ( 0.786 1.238 0.000) 1.466 27.174 ( 2.914 -2.453 -0.000) 3.810 27.277 ( 6.082 -2.379 -0.000) 6.530 27.492 ( -1.168 0.081 -0.000) 1.171 27.536 ( -3.234 0.001 -0.000) 3.234 27.890 ( -10.052 0.500 -0.000) 10.064 28.457 ( 2.692 4.466 0.000) 5.215 29.326 ( 0.539 0.962 0.000) 1.102 29.365 ( -0.412 -1.378 -0.000) 1.438 ======================= Grid point 234 (97/105) ======================= q-point: (-0.43 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -0.406 -0.393 -13.713) 13.724 1.000 ( 0.522 -6.719 -12.114) 13.863 1.473 ( 0.476 -3.714 -8.525) 9.311 1.561 ( -0.252 1.146 7.923) 8.009 1.625 ( -0.614 -4.084 5.948) 7.241 1.759 ( 0.172 -1.287 -0.250) 1.322 2.792 ( -1.051 0.093 -0.028) 1.055 2.805 ( 1.459 -0.707 0.647) 1.746 3.229 ( -1.244 4.006 -6.069) 7.378 3.278 ( 2.052 -0.465 -6.448) 6.783 3.555 ( 0.186 1.581 3.012) 3.407 3.599 ( -3.353 2.351 0.448) 4.119 3.758 ( 2.935 -2.228 2.487) 4.446 3.835 ( -0.608 -4.219 0.233) 4.269 4.147 ( -2.369 2.016 3.126) 4.410 4.231 ( 3.178 -3.295 4.737) 6.588 4.251 ( -1.664 -1.674 3.573) 4.282 4.359 ( 0.669 -1.319 4.678) 4.907 8.895 ( -1.027 1.942 -0.564) 2.268 8.922 ( 1.037 -0.571 0.863) 1.465 9.369 ( -0.117 -2.115 -6.790) 7.112 9.611 ( -0.017 -1.138 1.163) 1.627 9.905 ( 0.103 2.146 2.322) 3.164 9.939 ( 0.048 -0.818 0.243) 0.855 10.226 ( -0.587 0.404 -1.365) 1.540 10.244 ( 0.516 -1.278 -0.626) 1.514 10.513 ( -0.292 2.647 0.632) 2.738 10.534 ( 0.304 0.635 0.498) 0.863 27.085 ( 0.372 -1.385 1.643) 2.181 27.095 ( -0.536 -2.423 2.000) 3.187 27.577 ( -0.166 4.235 -3.089) 5.245 27.614 ( -0.006 1.137 -1.487) 1.872 28.135 ( 0.791 2.761 -6.986) 7.553 28.445 ( -0.432 -1.403 6.664) 6.823 29.329 ( -0.005 0.058 -0.717) 0.720 29.354 ( -0.027 0.057 0.503) 0.507 ======================= Grid point 245 (98/105) ======================= q-point: (-0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -2.847 -3.480 -0.000) 4.496 1.384 ( 6.329 -0.369 0.000) 6.339 1.503 ( 0.591 -8.435 -0.000) 8.455 1.547 ( -0.657 1.031 0.000) 1.223 1.744 ( 0.862 -1.119 -0.000) 1.412 1.847 ( -3.543 -1.967 -0.000) 4.052 2.705 ( 1.479 2.472 0.000) 2.881 2.787 ( 0.156 -0.934 -0.000) 0.947 3.112 ( 1.966 5.067 0.000) 5.435 3.436 ( 3.408 -3.036 -0.000) 4.564 3.447 ( 1.181 3.754 0.000) 3.935 3.606 ( -5.429 -5.347 -0.000) 7.620 3.821 ( -3.683 6.304 0.000) 7.301 3.904 ( -1.525 -5.668 -0.000) 5.870 4.069 ( -3.203 1.317 0.000) 3.463 4.182 ( -1.096 -1.506 -0.000) 1.863 4.427 ( 3.931 -5.712 -0.000) 6.934 4.451 ( 3.872 -4.010 -0.000) 5.574 8.828 ( -3.415 2.841 0.000) 4.442 8.940 ( 3.021 -0.825 -0.000) 3.131 9.410 ( 0.664 2.636 0.000) 2.719 9.666 ( -1.605 -2.552 -0.000) 3.014 9.810 ( -0.616 3.050 0.000) 3.111 10.054 ( 2.256 -5.490 -0.000) 5.936 10.232 ( -1.322 1.097 0.000) 1.718 10.236 ( 1.423 0.361 0.000) 1.468 10.357 ( -0.252 4.341 0.000) 4.349 10.514 ( -0.036 0.013 0.000) 0.038 27.140 ( -0.984 -1.331 -0.000) 1.655 27.220 ( -2.658 -4.707 -0.000) 5.406 27.510 ( 1.198 0.901 0.000) 1.499 27.517 ( -1.279 3.413 0.000) 3.645 27.949 ( 4.713 8.879 0.000) 10.052 28.492 ( -0.899 -3.788 -0.000) 3.893 29.334 ( -1.652 0.364 0.000) 1.692 29.348 ( 1.277 -0.354 -0.000) 1.325 ======================= Grid point 247 (99/105) ======================= q-point: (-0.67 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 1.463 -0.922 -0.000) 1.729 1.354 ( 1.159 -8.342 -0.000) 8.422 1.425 ( -4.050 -5.297 -0.000) 6.668 1.528 ( 7.748 0.365 0.000) 7.756 1.725 ( -0.193 -0.812 -0.000) 0.835 1.760 ( -1.487 -1.152 -0.000) 1.881 2.767 ( 0.540 0.787 0.000) 0.955 2.802 ( -1.277 1.029 0.000) 1.640 3.247 ( 4.009 4.222 0.000) 5.822 3.378 ( -6.856 -2.184 -0.000) 7.195 3.441 ( -4.173 -2.947 -0.000) 5.109 3.497 ( 3.529 2.214 0.000) 4.166 3.869 ( 4.212 -0.043 0.000) 4.212 3.874 ( -0.884 1.491 0.000) 1.733 4.055 ( 1.318 1.329 0.000) 1.872 4.177 ( -0.153 2.051 0.000) 2.056 4.350 ( 1.196 -7.389 -0.000) 7.485 4.388 ( -0.501 -5.626 -0.000) 5.648 8.824 ( -2.059 2.771 0.000) 3.452 8.965 ( 1.353 -1.449 -0.000) 1.983 9.497 ( 3.307 2.417 0.000) 4.097 9.571 ( -2.594 -2.842 -0.000) 3.848 9.876 ( 1.123 2.595 0.000) 2.828 9.977 ( 0.310 -4.773 -0.000) 4.783 10.214 ( -1.550 0.603 0.000) 1.663 10.268 ( 0.824 0.220 0.000) 0.853 10.435 ( -0.011 3.717 0.000) 3.717 10.504 ( -1.811 0.302 -0.000) 1.836 27.125 ( 0.634 -3.081 -0.000) 3.146 27.129 ( 2.266 -1.179 -0.000) 2.554 27.542 ( -1.765 2.028 0.000) 2.689 27.560 ( 0.007 2.757 0.000) 2.757 28.206 ( 4.640 7.515 0.000) 8.832 28.325 ( -7.093 -4.919 -0.000) 8.632 29.315 ( -1.000 0.528 0.000) 1.131 29.368 ( 1.156 -0.328 -0.000) 1.202 ======================= Grid point 249 (100/105) ======================= q-point: ( 0.33 0.67 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 3.335 4.500 0.000) 5.601 1.241 ( 2.037 -6.076 -0.000) 6.409 1.344 ( 4.138 -0.886 0.000) 4.232 1.583 ( 0.998 -2.739 -0.000) 2.915 1.732 ( -0.204 -0.315 -0.000) 0.375 1.798 ( 5.329 1.208 0.000) 5.464 2.758 ( -4.029 0.555 -0.000) 4.067 2.760 ( 0.320 -0.559 -0.000) 0.644 3.255 ( -6.516 -3.155 -0.000) 7.240 3.322 ( -1.641 4.210 0.000) 4.518 3.404 ( 2.694 3.669 0.000) 4.552 3.604 ( 2.655 0.416 0.000) 2.688 3.850 ( 3.247 -3.461 -0.000) 4.746 3.941 ( 1.336 -1.503 -0.000) 2.011 4.182 ( 3.728 2.294 0.000) 4.378 4.186 ( -1.052 -6.019 -0.000) 6.110 4.272 ( 0.376 -1.721 -0.000) 1.762 4.288 ( 2.770 4.190 0.000) 5.022 8.866 ( 0.103 3.313 0.000) 3.314 8.928 ( -1.084 -2.608 -0.000) 2.824 9.471 ( -2.730 -1.673 -0.000) 3.202 9.612 ( 4.201 0.908 0.000) 4.298 9.889 ( -1.622 -2.818 -0.000) 3.251 9.942 ( 2.225 1.483 0.000) 2.674 10.214 ( -0.536 1.481 0.000) 1.576 10.268 ( -0.342 -0.700 -0.000) 0.779 10.447 ( -3.877 -0.332 -0.000) 3.891 10.493 ( 0.041 2.086 0.000) 2.086 27.117 ( 2.665 -1.507 -0.000) 3.062 27.171 ( 4.677 -1.866 -0.000) 5.035 27.527 ( -2.451 0.982 0.000) 2.640 27.588 ( -2.089 1.145 0.000) 2.382 28.084 ( -9.676 -1.100 -0.000) 9.738 28.396 ( 3.645 3.644 0.000) 5.154 29.320 ( -0.024 1.022 0.000) 1.023 29.367 ( 0.177 -1.198 -0.000) 1.211 ======================= Grid point 278 (101/105) ======================= q-point: (-0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.000 -0.000 -12.280) 12.280 0.930 ( 0.000 -0.000 -12.280) 12.280 1.435 ( 0.000 -0.000 -16.386) 16.386 1.578 ( -0.000 0.000 9.628) 9.628 1.578 ( -0.000 0.000 9.628) 9.628 1.744 ( 0.000 -0.000 -0.817) 0.817 2.792 ( 0.000 -0.000 -0.371) 0.371 2.792 ( 0.000 -0.000 -0.371) 0.371 3.270 ( 0.000 -0.000 -6.260) 6.260 3.270 ( 0.000 -0.000 -6.260) 6.260 3.626 ( 0.000 -0.000 -0.116) 0.116 3.626 ( 0.000 -0.000 -0.116) 0.116 3.703 ( -0.000 0.000 1.417) 1.417 3.771 ( -0.000 0.000 6.045) 6.045 4.189 ( -0.000 0.000 5.807) 5.807 4.189 ( -0.000 0.000 5.807) 5.807 4.220 ( 0.000 -0.000 -0.241) 0.241 4.350 ( -0.000 0.000 4.725) 4.725 8.916 ( -0.000 0.000 0.813) 0.813 8.916 ( -0.000 0.000 0.813) 0.813 9.342 ( 0.000 -0.000 -8.367) 8.367 9.601 ( -0.000 0.000 1.166) 1.166 9.927 ( -0.000 0.000 3.479) 3.479 9.933 ( 0.000 -0.000 -0.136) 0.136 10.229 ( 0.000 -0.000 -1.261) 1.261 10.229 ( 0.000 -0.000 -1.261) 1.261 10.539 ( -0.000 0.000 1.067) 1.067 10.542 ( -0.000 0.000 0.186) 0.186 27.071 ( -0.000 0.000 1.744) 1.744 27.071 ( -0.000 0.000 1.744) 1.744 27.625 ( 0.000 -0.000 -1.812) 1.812 27.625 ( 0.000 -0.000 -1.812) 1.812 28.156 ( 0.000 -0.000 -6.956) 6.956 28.433 ( -0.000 0.000 6.266) 6.266 29.330 ( 0.000 -0.000 -0.744) 0.744 29.355 ( -0.000 0.000 0.475) 0.475 ======================= Grid point 291 (102/105) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -2.629 -2.520 -0.000) 3.642 1.319 ( 2.642 -9.375 -0.000) 9.740 1.386 ( 5.842 0.533 0.000) 5.866 1.514 ( -4.423 -3.243 -0.000) 5.484 1.728 ( -0.111 -1.040 -0.000) 1.046 1.791 ( -1.473 -3.645 -0.000) 3.932 2.763 ( 0.070 2.914 0.000) 2.915 2.783 ( 2.333 0.317 0.000) 2.355 3.214 ( -0.662 5.483 0.000) 5.523 3.416 ( 4.902 1.036 0.000) 5.010 3.450 ( 0.430 -4.920 -0.000) 4.939 3.546 ( -6.446 1.413 0.000) 6.599 3.810 ( 0.939 -4.069 -0.000) 4.176 3.902 ( -2.074 1.291 0.000) 2.443 4.082 ( -3.812 0.353 -0.000) 3.828 4.187 ( -0.765 1.648 0.000) 1.817 4.304 ( 3.197 -6.684 -0.000) 7.409 4.366 ( 2.880 -4.490 -0.000) 5.334 8.874 ( -2.871 1.824 0.000) 3.402 8.925 ( 2.672 -0.736 -0.000) 2.772 9.458 ( 0.554 2.219 0.000) 2.287 9.609 ( -1.179 -3.478 -0.000) 3.673 9.864 ( -0.044 2.453 0.000) 2.454 9.965 ( 0.901 -3.405 -0.000) 3.522 10.244 ( 1.515 0.289 0.000) 1.542 10.245 ( -1.551 0.271 -0.000) 1.575 10.440 ( -0.364 4.092 0.000) 4.109 10.518 ( 0.346 0.404 0.000) 0.532 27.105 ( 0.281 -2.086 -0.000) 2.105 27.135 ( -1.508 -3.919 -0.000) 4.199 27.549 ( 1.029 2.935 0.000) 3.111 27.580 ( -1.718 2.982 0.000) 3.441 28.117 ( 3.929 8.097 0.000) 8.999 28.414 ( -1.916 -4.256 -0.000) 4.667 29.340 ( -1.500 0.228 -0.000) 1.517 29.343 ( 1.295 -0.109 0.000) 1.300 ======================= Grid point 293 (103/105) ======================= q-point: ( 0.39 0.61 -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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 4.650 0.035 0.000) 4.650 1.198 ( 2.504 -7.122 -0.000) 7.549 1.368 ( -4.406 0.061 -0.000) 4.407 1.524 ( 4.861 -1.367 -0.000) 5.050 1.713 ( 2.655 -0.251 0.000) 2.667 1.728 ( 0.476 -1.862 -0.000) 1.922 2.772 ( -1.205 0.111 -0.000) 1.210 2.810 ( -0.681 -0.232 -0.000) 0.719 3.328 ( 3.191 3.590 0.000) 4.804 3.342 ( -2.676 -1.549 -0.000) 3.092 3.420 ( -8.013 1.192 -0.000) 8.101 3.561 ( 2.921 4.430 0.000) 5.307 3.820 ( -0.193 -6.604 -0.000) 6.607 3.865 ( 6.196 -0.638 0.000) 6.229 4.105 ( 2.749 3.630 0.000) 4.553 4.198 ( -0.406 -5.531 -0.000) 5.546 4.244 ( 1.894 2.072 0.000) 2.808 4.294 ( -1.152 -3.847 -0.000) 4.016 8.874 ( -0.922 2.333 0.000) 2.509 8.933 ( 0.468 -1.758 -0.000) 1.819 9.517 ( -1.864 -2.436 -0.000) 3.067 9.532 ( 3.521 1.171 0.000) 3.711 9.914 ( -0.941 -1.721 -0.000) 1.961 9.914 ( 0.912 1.235 0.000) 1.535 10.227 ( -0.792 0.786 0.000) 1.116 10.263 ( 0.724 -0.681 -0.000) 0.994 10.498 ( -0.493 2.586 0.000) 2.633 10.508 ( -2.240 0.142 -0.000) 2.245 27.079 ( 1.151 -1.540 -0.000) 1.923 27.099 ( 2.701 -1.671 -0.000) 3.176 27.582 ( -2.966 1.926 0.000) 3.536 27.614 ( -0.573 2.245 0.000) 2.317 28.249 ( -6.886 -2.382 -0.000) 7.287 28.317 ( 4.292 3.627 0.000) 5.620 29.327 ( -0.661 0.751 0.000) 1.001 29.359 ( 0.683 -0.638 -0.000) 0.935 ======================= Grid point 336 (104/105) ======================= q-point: (-0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -1.788 -2.215 -0.000) 2.847 1.152 ( 1.773 -6.924 -0.000) 7.148 1.421 ( 4.811 2.511 0.000) 5.427 1.463 ( -4.622 -1.474 -0.000) 4.851 1.699 ( -0.837 -1.702 -0.000) 1.897 1.717 ( 0.572 -3.542 -0.000) 3.588 2.790 ( 1.754 0.280 0.000) 1.776 2.796 ( -1.111 0.304 0.000) 1.152 3.312 ( -1.069 3.891 0.000) 4.035 3.367 ( 0.266 -2.466 -0.000) 2.481 3.484 ( 4.494 6.290 0.000) 7.731 3.586 ( -6.738 2.192 0.000) 7.086 3.741 ( 4.065 -3.196 -0.000) 5.171 3.842 ( -1.546 -7.096 -0.000) 7.263 4.103 ( -2.774 1.675 0.000) 3.241 4.174 ( 3.099 -4.532 -0.000) 5.491 4.240 ( -1.724 1.704 0.000) 2.424 4.292 ( 1.516 -2.900 -0.000) 3.273 8.899 ( -1.650 0.867 0.000) 1.863 8.913 ( 1.616 -0.469 -0.000) 1.682 9.493 ( 0.307 1.292 0.000) 1.328 9.540 ( -0.414 -3.175 -0.000) 3.202 9.902 ( 0.226 1.456 0.000) 1.474 9.924 ( -0.086 -0.961 -0.000) 0.965 10.245 ( 1.054 -0.146 0.000) 1.064 10.245 ( -1.067 -0.181 -0.000) 1.082 10.507 ( -0.297 2.610 0.000) 2.626 10.528 ( 0.300 0.512 0.000) 0.594 27.068 ( 0.500 -1.488 -0.000) 1.569 27.075 ( -0.663 -2.187 -0.000) 2.285 27.610 ( 0.922 2.973 0.000) 3.113 27.626 ( -1.143 1.717 0.000) 2.063 28.248 ( 2.257 5.046 0.000) 5.528 28.336 ( -1.848 -3.453 -0.000) 3.916 29.343 ( 0.863 0.072 0.000) 0.866 29.343 ( -0.902 0.098 -0.000) 0.908 ======================= Grid point 382 (105/105) ======================= q-point: ( 0.50 0.50 -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 3.36e-05 3.36e-05 1.64e-04 1.64e-04 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.000 -0.000 -0.000) 0.000 1.081 ( 0.000 -0.000 -0.000) 0.000 1.453 ( 0.000 -0.000 -0.000) 0.000 1.453 ( 0.000 -0.000 -0.000) 0.000 1.678 ( 0.000 -0.000 -7.789) 7.789 1.678 ( -0.000 0.000 7.789) 7.789 2.793 ( 0.000 -0.000 -0.000) 0.000 2.793 ( 0.000 -0.000 -0.000) 0.000 3.349 ( 0.000 -0.000 -0.000) 0.000 3.349 ( 0.000 -0.000 -0.000) 0.000 3.619 ( 0.000 -0.000 -0.000) 0.000 3.619 ( 0.000 -0.000 -0.000) 0.000 3.698 ( 0.000 -0.000 -1.365) 1.365 3.698 ( -0.000 0.000 1.365) 1.365 4.125 ( 0.000 -0.000 -0.000) 0.000 4.125 ( 0.000 -0.000 -0.000) 0.000 4.261 ( 0.000 -0.000 -3.664) 3.664 4.261 ( -0.000 0.000 3.664) 3.664 8.908 ( 0.000 -0.000 -0.000) 0.000 8.908 ( 0.000 -0.000 -0.000) 0.000 9.506 ( 0.000 -0.000 -7.493) 7.493 9.506 ( -0.000 0.000 7.493) 7.493 9.917 ( 0.000 -0.000 -1.260) 1.260 9.917 ( -0.000 0.000 1.260) 1.260 10.242 ( 0.000 -0.000 -0.000) 0.000 10.242 ( 0.000 -0.000 -0.000) 0.000 10.533 ( 0.000 -0.000 -0.362) 0.362 10.533 ( -0.000 0.000 0.362) 0.362 27.053 ( 0.000 -0.000 -0.000) 0.000 27.053 ( 0.000 -0.000 -0.000) 0.000 27.643 ( 0.000 -0.000 -0.000) 0.000 27.643 ( 0.000 -0.000 -0.000) 0.000 28.298 ( 0.000 -0.000 -7.156) 7.156 28.298 ( -0.000 0.000 7.156) 7.156 29.344 ( 0.000 -0.000 -0.635) 0.635 29.344 ( -0.000 0.000 0.635) 0.635 =================== 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 3/23328 10.0 78.338 78.338 80.999 0.000 -0.000 0.000 3/23328 20.0 23.497 23.497 23.229 0.000 -0.000 0.000 3/23328 30.0 10.268 10.268 10.424 0.000 -0.000 0.000 3/23328 40.0 5.766 5.766 5.945 0.000 -0.000 0.000 3/23328 50.0 3.867 3.867 4.019 0.000 -0.000 0.000 3/23328 60.0 2.899 2.899 3.024 0.000 -0.000 0.000 3/23328 70.0 2.332 2.332 2.434 0.000 -0.000 0.000 3/23328 80.0 1.968 1.968 2.050 0.000 -0.000 0.000 3/23328 90.0 1.715 1.715 1.780 0.000 -0.000 0.000 3/23328 100.0 1.531 1.531 1.580 0.000 -0.000 0.000 3/23328 110.0 1.390 1.390 1.426 0.000 -0.000 0.000 3/23328 120.0 1.278 1.278 1.303 0.000 -0.000 0.000 3/23328 130.0 1.187 1.187 1.202 0.000 -0.000 0.000 3/23328 140.0 1.111 1.111 1.117 0.000 -0.000 0.000 3/23328 150.0 1.046 1.046 1.045 0.000 -0.000 0.000 3/23328 160.0 0.990 0.990 0.983 0.000 -0.000 0.000 3/23328 170.0 0.942 0.942 0.929 0.000 -0.000 0.000 3/23328 180.0 0.900 0.900 0.882 0.000 -0.000 0.000 3/23328 190.0 0.862 0.862 0.840 0.000 -0.000 0.000 3/23328 200.0 0.829 0.829 0.803 0.000 -0.000 0.000 3/23328 210.0 0.800 0.800 0.770 0.000 -0.000 0.000 3/23328 220.0 0.773 0.773 0.740 0.000 -0.000 0.000 3/23328 230.0 0.749 0.749 0.713 0.000 -0.000 0.000 3/23328 240.0 0.728 0.728 0.688 0.000 -0.000 0.000 3/23328 250.0 0.708 0.708 0.666 0.000 -0.000 0.000 3/23328 260.0 0.691 0.691 0.645 0.000 -0.000 0.000 3/23328 270.0 0.674 0.674 0.626 0.000 -0.000 0.000 3/23328 280.0 0.659 0.659 0.609 0.000 -0.000 0.000 3/23328 290.0 0.645 0.645 0.593 0.000 -0.000 0.000 3/23328 300.0 0.632 0.632 0.578 0.000 -0.000 0.000 3/23328 310.0 0.620 0.620 0.564 0.000 -0.000 0.000 3/23328 320.0 0.609 0.609 0.551 0.000 -0.000 0.000 3/23328 330.0 0.598 0.598 0.539 0.000 -0.000 0.000 3/23328 340.0 0.588 0.588 0.527 0.000 -0.000 0.000 3/23328 350.0 0.578 0.578 0.516 0.000 -0.000 0.000 3/23328 360.0 0.569 0.569 0.506 0.000 -0.000 0.000 3/23328 370.0 0.560 0.560 0.496 0.000 -0.000 0.000 3/23328 380.0 0.552 0.552 0.487 0.000 -0.000 0.000 3/23328 390.0 0.544 0.544 0.478 0.000 -0.000 0.000 3/23328 400.0 0.536 0.536 0.469 0.000 -0.000 0.000 3/23328 410.0 0.528 0.528 0.461 0.000 -0.000 0.000 3/23328 420.0 0.521 0.521 0.454 0.000 -0.000 0.000 3/23328 430.0 0.514 0.514 0.446 0.000 -0.000 0.000 3/23328 440.0 0.507 0.507 0.439 0.000 -0.000 0.000 3/23328 450.0 0.501 0.501 0.432 0.000 -0.000 0.000 3/23328 460.0 0.495 0.495 0.425 0.000 -0.000 0.000 3/23328 470.0 0.488 0.488 0.419 0.000 -0.000 0.000 3/23328 480.0 0.482 0.482 0.413 0.000 -0.000 0.000 3/23328 490.0 0.476 0.476 0.407 0.000 -0.000 0.000 3/23328 500.0 0.471 0.471 0.401 0.000 -0.000 0.000 3/23328 510.0 0.465 0.465 0.395 0.000 -0.000 0.000 3/23328 520.0 0.460 0.460 0.390 0.000 -0.000 0.000 3/23328 530.0 0.454 0.454 0.385 0.000 -0.000 0.000 3/23328 540.0 0.449 0.449 0.379 0.000 -0.000 0.000 3/23328 550.0 0.444 0.444 0.375 0.000 -0.000 0.000 3/23328 560.0 0.439 0.439 0.370 0.000 -0.000 0.000 3/23328 570.0 0.434 0.434 0.365 0.000 -0.000 0.000 3/23328 580.0 0.429 0.429 0.360 0.000 -0.000 0.000 3/23328 590.0 0.425 0.425 0.356 0.000 -0.000 0.000 3/23328 600.0 0.420 0.420 0.352 0.000 -0.000 0.000 3/23328 610.0 0.416 0.416 0.347 0.000 -0.000 0.000 3/23328 620.0 0.411 0.411 0.343 0.000 -0.000 0.000 3/23328 630.0 0.407 0.407 0.339 0.000 -0.000 0.000 3/23328 640.0 0.403 0.403 0.335 0.000 -0.000 0.000 3/23328 650.0 0.399 0.399 0.331 0.000 -0.000 0.000 3/23328 660.0 0.395 0.395 0.328 0.000 -0.000 0.000 3/23328 670.0 0.391 0.391 0.324 0.000 -0.000 0.000 3/23328 680.0 0.387 0.387 0.320 0.000 -0.000 0.000 3/23328 690.0 0.383 0.383 0.317 0.000 -0.000 0.000 3/23328 700.0 0.379 0.379 0.313 0.000 -0.000 0.000 3/23328 710.0 0.375 0.375 0.310 0.000 -0.000 0.000 3/23328 720.0 0.372 0.372 0.307 0.000 -0.000 0.000 3/23328 730.0 0.368 0.368 0.304 0.000 -0.000 0.000 3/23328 740.0 0.365 0.365 0.300 0.000 -0.000 0.000 3/23328 750.0 0.361 0.361 0.297 0.000 -0.000 0.000 3/23328 760.0 0.358 0.358 0.294 0.000 -0.000 0.000 3/23328 770.0 0.355 0.355 0.291 0.000 -0.000 0.000 3/23328 780.0 0.351 0.351 0.289 0.000 -0.000 0.000 3/23328 790.0 0.348 0.348 0.286 0.000 -0.000 0.000 3/23328 800.0 0.345 0.345 0.283 0.000 -0.000 0.000 3/23328 810.0 0.342 0.342 0.280 0.000 -0.000 0.000 3/23328 820.0 0.339 0.339 0.278 0.000 -0.000 0.000 3/23328 830.0 0.336 0.336 0.275 0.000 -0.000 0.000 3/23328 840.0 0.333 0.333 0.272 0.000 -0.000 0.000 3/23328 850.0 0.330 0.330 0.270 0.000 -0.000 0.000 3/23328 860.0 0.327 0.327 0.267 0.000 -0.000 0.000 3/23328 870.0 0.324 0.324 0.265 0.000 -0.000 0.000 3/23328 880.0 0.322 0.322 0.263 0.000 -0.000 0.000 3/23328 890.0 0.319 0.319 0.260 0.000 -0.000 0.000 3/23328 900.0 0.316 0.316 0.258 0.000 -0.000 0.000 3/23328 910.0 0.314 0.314 0.256 0.000 -0.000 0.000 3/23328 920.0 0.311 0.311 0.254 0.000 -0.000 0.000 3/23328 930.0 0.308 0.308 0.251 0.000 -0.000 0.000 3/23328 940.0 0.306 0.306 0.249 0.000 -0.000 0.000 3/23328 950.0 0.303 0.303 0.247 0.000 -0.000 0.000 3/23328 960.0 0.301 0.301 0.245 0.000 -0.000 0.000 3/23328 970.0 0.299 0.299 0.243 0.000 -0.000 0.000 3/23328 980.0 0.296 0.296 0.241 0.000 -0.000 0.000 3/23328 990.0 0.294 0.294 0.239 0.000 -0.000 0.000 3/23328 1000.0 0.292 0.292 0.237 0.000 -0.000 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m1972.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:25:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|