----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:04:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pcca (54) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.419557880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.155527499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.868935209999998 Atomic positions (fractional): *1 Ga 0.25000000000000 0.50000000000000 0.14153925719658 69.723 2 Ga 0.25000000000000 0.50000000000000 0.64153925719658 69.723 3 Ga 0.75000000000000 0.50000000000000 0.35846074280342 69.723 4 Ga 0.75000000000000 0.50000000000000 0.85846074280342 69.723 *5 Bi 0.75000000000000 0.00000000000000 0.61421162473799 208.980 6 Bi 0.25000000000000 0.00000000000000 0.38578837526201 208.980 7 Bi 0.75000000000000 0.00000000000000 0.11421162473799 208.980 8 Bi 0.25000000000000 0.00000000000000 0.88578837526201 208.980 *9 O 0.59364454779706 0.23143708355566 0.44704372243621 15.999 10 O 0.40635545220294 0.76856291644434 0.55295627756379 15.999 11 O 0.09364454779707 0.76856291644434 0.05295627756379 15.999 12 O 0.90635545220294 0.23143708355566 0.94704372243621 15.999 13 O 0.40635545220294 0.23143708355566 0.05295627756379 15.999 *14 O 0.50000000000000 0.64603337021509 0.25000000000000 15.999 15 O 0.00000000000000 0.64603337021509 0.75000000000000 15.999 16 O 0.09364454779707 0.23143708355566 0.55295627756379 15.999 17 O 0.90635545220294 0.76856291644434 0.44704372243621 15.999 18 O 0.00000000000000 0.35396662978491 0.25000000000000 15.999 19 O 0.59364454779706 0.76856291644434 0.94704372243621 15.999 20 O 0.50000000000000 0.35396662978491 0.75000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.419557880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.155527499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.868935209999998 Atomic positions (fractional): *1 Ga 0.25000000000000 0.50000000000000 0.14153925719658 69.723 > 1 2 Ga 0.25000000000000 0.50000000000000 0.64153925719658 69.723 > 2 3 Ga 0.75000000000000 0.50000000000000 0.35846074280342 69.723 > 3 4 Ga 0.75000000000000 0.50000000000000 0.85846074280342 69.723 > 4 *5 Bi 0.75000000000000 0.00000000000000 0.61421162473799 208.980 > 5 6 Bi 0.25000000000000 0.00000000000000 0.38578837526201 208.980 > 6 7 Bi 0.75000000000000 0.00000000000000 0.11421162473799 208.980 > 7 8 Bi 0.25000000000000 0.00000000000000 0.88578837526201 208.980 > 8 *9 O 0.59364454779706 0.23143708355566 0.44704372243621 15.999 > 9 10 O 0.40635545220294 0.76856291644434 0.55295627756379 15.999 > 10 11 O 0.09364454779707 0.76856291644434 0.05295627756379 15.999 > 11 12 O 0.90635545220294 0.23143708355566 0.94704372243621 15.999 > 12 13 O 0.40635545220294 0.23143708355566 0.05295627756379 15.999 > 13 *14 O 0.50000000000000 0.64603337021509 0.25000000000000 15.999 > 14 15 O 0.00000000000000 0.64603337021509 0.75000000000000 15.999 > 15 16 O 0.09364454779707 0.23143708355566 0.55295627756379 15.999 > 16 17 O 0.90635545220294 0.76856291644434 0.44704372243621 15.999 > 17 18 O 0.00000000000000 0.35396662978491 0.25000000000000 15.999 > 18 19 O 0.59364454779706 0.76856291644434 0.94704372243621 15.999 > 19 20 O 0.50000000000000 0.35396662978491 0.75000000000000 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.839115760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.311054999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.868935209999998 Atomic positions (fractional): *1 Ga 0.12500000000000 0.25000000000000 0.14153925719658 69.723 > 1 2 Ga 0.62500000000000 0.25000000000000 0.14153925719658 69.723 > 1 3 Ga 0.12500000000000 0.75000000000000 0.14153925719658 69.723 > 1 4 Ga 0.62500000000000 0.75000000000000 0.14153925719658 69.723 > 1 5 Ga 0.12500000000000 0.25000000000000 0.64153925719658 69.723 > 2 6 Ga 0.62500000000000 0.25000000000000 0.64153925719658 69.723 > 2 7 Ga 0.12500000000000 0.75000000000000 0.64153925719658 69.723 > 2 8 Ga 0.62500000000000 0.75000000000000 0.64153925719658 69.723 > 2 9 Ga 0.37500000000000 0.25000000000000 0.35846074280342 69.723 > 3 10 Ga 0.87500000000000 0.25000000000000 0.35846074280342 69.723 > 3 11 Ga 0.37500000000000 0.75000000000000 0.35846074280342 69.723 > 3 12 Ga 0.87500000000000 0.75000000000000 0.35846074280342 69.723 > 3 13 Ga 0.37500000000000 0.25000000000000 0.85846074280342 69.723 > 4 14 Ga 0.87500000000000 0.25000000000000 0.85846074280342 69.723 > 4 15 Ga 0.37500000000000 0.75000000000000 0.85846074280342 69.723 > 4 16 Ga 0.87500000000000 0.75000000000000 0.85846074280342 69.723 > 4 *17 Bi 0.37500000000000 0.00000000000000 0.61421162473799 208.980 > 5 18 Bi 0.87500000000000 0.00000000000000 0.61421162473799 208.980 > 5 19 Bi 0.37500000000000 0.50000000000000 0.61421162473799 208.980 > 5 20 Bi 0.87500000000000 0.50000000000000 0.61421162473799 208.980 > 5 21 Bi 0.12500000000000 0.00000000000000 0.38578837526201 208.980 > 6 22 Bi 0.62500000000000 0.00000000000000 0.38578837526201 208.980 > 6 23 Bi 0.12500000000000 0.50000000000000 0.38578837526201 208.980 > 6 24 Bi 0.62500000000000 0.50000000000000 0.38578837526201 208.980 > 6 25 Bi 0.37500000000000 0.00000000000000 0.11421162473799 208.980 > 7 26 Bi 0.87500000000000 0.00000000000000 0.11421162473799 208.980 > 7 27 Bi 0.37500000000000 0.50000000000000 0.11421162473799 208.980 > 7 28 Bi 0.87500000000000 0.50000000000000 0.11421162473799 208.980 > 7 29 Bi 0.12500000000000 0.00000000000000 0.88578837526201 208.980 > 8 30 Bi 0.62500000000000 0.00000000000000 0.88578837526201 208.980 > 8 31 Bi 0.12500000000000 0.50000000000000 0.88578837526201 208.980 > 8 32 Bi 0.62500000000000 0.50000000000000 0.88578837526201 208.980 > 8 *33 O 0.29682227389853 0.11571854177783 0.44704372243621 15.999 > 9 34 O 0.79682227389853 0.11571854177783 0.44704372243621 15.999 > 9 35 O 0.29682227389853 0.61571854177783 0.44704372243621 15.999 > 9 36 O 0.79682227389853 0.61571854177783 0.44704372243621 15.999 > 9 37 O 0.20317772610147 0.38428145822217 0.55295627756379 15.999 > 10 38 O 0.70317772610147 0.38428145822217 0.55295627756379 15.999 > 10 39 O 0.20317772610147 0.88428145822217 0.55295627756379 15.999 > 10 40 O 0.70317772610147 0.88428145822217 0.55295627756379 15.999 > 10 41 O 0.04682227389853 0.38428145822217 0.05295627756379 15.999 > 11 42 O 0.54682227389853 0.38428145822217 0.05295627756379 15.999 > 11 43 O 0.04682227389853 0.88428145822217 0.05295627756379 15.999 > 11 44 O 0.54682227389853 0.88428145822217 0.05295627756379 15.999 > 11 45 O 0.45317772610147 0.11571854177783 0.94704372243621 15.999 > 12 46 O 0.95317772610147 0.11571854177783 0.94704372243621 15.999 > 12 47 O 0.45317772610147 0.61571854177783 0.94704372243621 15.999 > 12 48 O 0.95317772610147 0.61571854177783 0.94704372243621 15.999 > 12 49 O 0.20317772610147 0.11571854177783 0.05295627756379 15.999 > 13 50 O 0.70317772610147 0.11571854177783 0.05295627756379 15.999 > 13 51 O 0.20317772610147 0.61571854177783 0.05295627756379 15.999 > 13 52 O 0.70317772610147 0.61571854177783 0.05295627756379 15.999 > 13 *53 O 0.25000000000000 0.32301668510755 0.25000000000000 15.999 > 14 54 O 0.75000000000000 0.32301668510755 0.25000000000000 15.999 > 14 55 O 0.25000000000000 0.82301668510755 0.25000000000000 15.999 > 14 56 O 0.75000000000000 0.82301668510755 0.25000000000000 15.999 > 14 57 O 0.00000000000000 0.32301668510755 0.75000000000000 15.999 > 15 58 O 0.50000000000000 0.32301668510755 0.75000000000000 15.999 > 15 59 O 0.00000000000000 0.82301668510755 0.75000000000000 15.999 > 15 60 O 0.50000000000000 0.82301668510755 0.75000000000000 15.999 > 15 61 O 0.04682227389853 0.11571854177783 0.55295627756379 15.999 > 16 62 O 0.54682227389853 0.11571854177783 0.55295627756379 15.999 > 16 63 O 0.04682227389853 0.61571854177783 0.55295627756379 15.999 > 16 64 O 0.54682227389853 0.61571854177783 0.55295627756379 15.999 > 16 65 O 0.45317772610147 0.38428145822217 0.44704372243621 15.999 > 17 66 O 0.95317772610147 0.38428145822217 0.44704372243621 15.999 > 17 67 O 0.45317772610147 0.88428145822217 0.44704372243621 15.999 > 17 68 O 0.95317772610147 0.88428145822217 0.44704372243621 15.999 > 17 69 O 0.00000000000000 0.17698331489245 0.25000000000000 15.999 > 18 70 O 0.50000000000000 0.17698331489245 0.25000000000000 15.999 > 18 71 O 0.00000000000000 0.67698331489245 0.25000000000000 15.999 > 18 72 O 0.50000000000000 0.67698331489245 0.25000000000000 15.999 > 18 73 O 0.29682227389853 0.38428145822217 0.94704372243621 15.999 > 19 74 O 0.79682227389853 0.38428145822217 0.94704372243621 15.999 > 19 75 O 0.29682227389853 0.88428145822217 0.94704372243621 15.999 > 19 76 O 0.79682227389853 0.88428145822217 0.94704372243621 15.999 > 19 77 O 0.25000000000000 0.17698331489245 0.75000000000000 15.999 > 20 78 O 0.75000000000000 0.17698331489245 0.75000000000000 15.999 > 20 79 O 0.25000000000000 0.67698331489245 0.75000000000000 15.999 > 20 80 O 0.75000000000000 0.67698331489245 0.75000000000000 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6678103 0.0000000 0.0000000 0.0000000 5.2502617 0.0000000 0.0000000 0.0000000 5.0545029 -------------------------- Born effective charges -------------------------- 1 Ga 3.0316500 -0.0541893 -0.0000000 0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 2 Ga 3.0316500 0.0541893 -0.0000000 -0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 3 Ga 3.0316500 0.0541893 -0.0000000 -0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 4 Ga 3.0316500 -0.0541893 -0.0000000 0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 5 Bi 5.0151600 -0.3582976 -0.0000000 -0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 6 Bi 5.0151600 -0.3582976 -0.0000000 -0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 7 Bi 5.0151600 0.3582976 -0.0000000 0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 8 Bi 5.0151600 0.3582976 -0.0000000 0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 9 O -2.7129175 -0.5658355 -0.6777941 -0.5436280 -2.4005768 0.7365706 -0.1649436 0.6847685 -2.2907187 10 O -2.7129175 -0.5658355 -0.6777941 -0.5436280 -2.4005768 0.7365706 -0.1649436 0.6847685 -2.2907187 11 O -2.7129175 0.5658355 0.6777941 0.5436280 -2.4005768 0.7365706 0.1649436 0.6847685 -2.2907187 12 O -2.7129175 0.5658355 0.6777941 0.5436280 -2.4005768 0.7365706 0.1649436 0.6847685 -2.2907187 13 O -2.7129175 0.5658355 -0.6777941 0.5436280 -2.4005768 -0.7365706 -0.1649436 -0.6847685 -2.2907187 14 O -2.6209751 0.0000000 -0.2266431 0.0000000 -2.6149594 -0.0000000 -0.1392143 0.0000000 -2.2415561 15 O -2.6209751 0.0000000 0.2266431 0.0000000 -2.6149594 -0.0000000 0.1392143 0.0000000 -2.2415561 16 O -2.7129175 -0.5658355 0.6777941 -0.5436280 -2.4005768 -0.7365706 0.1649436 -0.6847685 -2.2907187 17 O -2.7129175 -0.5658355 0.6777941 -0.5436280 -2.4005768 -0.7365706 0.1649436 -0.6847685 -2.2907187 18 O -2.6209751 0.0000000 0.2266431 0.0000000 -2.6149594 -0.0000000 0.1392143 0.0000000 -2.2415561 19 O -2.7129175 0.5658355 -0.6777941 0.5436280 -2.4005768 -0.7365706 -0.1649436 -0.6847685 -2.2907187 20 O -2.6209751 0.0000000 -0.2266431 0.0000000 -2.6149594 -0.0000000 -0.1392143 0.0000000 -2.2415561 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 996 Number of blocks in projector: 996 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 136 Use standard eigh solver. Tree of FC basis block matrices: - (996, 972), data: False |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (188, 186), data: True |-- (196, 192), data: True |-- (204, 198), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.759 Solver_block: 200 / 320 - Time: 0.756 Solver_block: 300 / 320 - Time: 0.751 Solver_block: 320 / 320 - Time: 0.197 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.479 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 996 Number of blocks in projector: 996 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 204 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 136 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 136 Use standard eigh solver. Tree of FC basis block matrices: - (996, 972), data: False |-- (136, 132), data: True |-- (136, 132), data: True |-- (136, 132), data: True |-- (188, 186), data: True |-- (196, 192), data: True |-- (204, 198), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:04:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:04:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pcca (54) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.419557880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.155527499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.868935209999998 Atomic positions (fractional): 1 Ga 0.25000000000000 0.50000000000000 0.14153925719658 69.723 2 Ga 0.25000000000000 0.50000000000000 0.64153925719658 69.723 3 Ga 0.75000000000000 0.50000000000000 0.35846074280342 69.723 4 Ga 0.75000000000000 0.50000000000000 0.85846074280342 69.723 5 Bi 0.75000000000000 0.00000000000000 0.61421162473799 208.980 6 Bi 0.25000000000000 0.00000000000000 0.38578837526201 208.980 7 Bi 0.75000000000000 0.00000000000000 0.11421162473799 208.980 8 Bi 0.25000000000000 0.00000000000000 0.88578837526201 208.980 9 O 0.59364454779706 0.23143708355566 0.44704372243621 15.999 10 O 0.40635545220294 0.76856291644434 0.55295627756379 15.999 11 O 0.09364454779707 0.76856291644434 0.05295627756379 15.999 12 O 0.90635545220294 0.23143708355566 0.94704372243621 15.999 13 O 0.40635545220294 0.23143708355566 0.05295627756379 15.999 14 O 0.50000000000000 0.64603337021509 0.25000000000000 15.999 15 O 0.00000000000000 0.64603337021509 0.75000000000000 15.999 16 O 0.09364454779707 0.23143708355566 0.55295627756379 15.999 17 O 0.90635545220294 0.76856291644434 0.44704372243621 15.999 18 O 0.00000000000000 0.35396662978491 0.25000000000000 15.999 19 O 0.59364454779706 0.76856291644434 0.94704372243621 15.999 20 O 0.50000000000000 0.35396662978491 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.839115760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.311054999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.868935209999998 Atomic positions (fractional): 1 Ga 0.12500000000000 0.25000000000000 0.14153925719658 69.723 > 1 2 Ga 0.62500000000000 0.25000000000000 0.14153925719658 69.723 > 1 3 Ga 0.12500000000000 0.75000000000000 0.14153925719658 69.723 > 1 4 Ga 0.62500000000000 0.75000000000000 0.14153925719658 69.723 > 1 5 Ga 0.12500000000000 0.25000000000000 0.64153925719658 69.723 > 5 6 Ga 0.62500000000000 0.25000000000000 0.64153925719658 69.723 > 5 7 Ga 0.12500000000000 0.75000000000000 0.64153925719658 69.723 > 5 8 Ga 0.62500000000000 0.75000000000000 0.64153925719658 69.723 > 5 9 Ga 0.37500000000000 0.25000000000000 0.35846074280342 69.723 > 9 10 Ga 0.87500000000000 0.25000000000000 0.35846074280342 69.723 > 9 11 Ga 0.37500000000000 0.75000000000000 0.35846074280342 69.723 > 9 12 Ga 0.87500000000000 0.75000000000000 0.35846074280342 69.723 > 9 13 Ga 0.37500000000000 0.25000000000000 0.85846074280342 69.723 > 13 14 Ga 0.87500000000000 0.25000000000000 0.85846074280342 69.723 > 13 15 Ga 0.37500000000000 0.75000000000000 0.85846074280342 69.723 > 13 16 Ga 0.87500000000000 0.75000000000000 0.85846074280342 69.723 > 13 17 Bi 0.37500000000000 0.00000000000000 0.61421162473799 208.980 > 17 18 Bi 0.87500000000000 0.00000000000000 0.61421162473799 208.980 > 17 19 Bi 0.37500000000000 0.50000000000000 0.61421162473799 208.980 > 17 20 Bi 0.87500000000000 0.50000000000000 0.61421162473799 208.980 > 17 21 Bi 0.12500000000000 0.00000000000000 0.38578837526201 208.980 > 21 22 Bi 0.62500000000000 0.00000000000000 0.38578837526201 208.980 > 21 23 Bi 0.12500000000000 0.50000000000000 0.38578837526201 208.980 > 21 24 Bi 0.62500000000000 0.50000000000000 0.38578837526201 208.980 > 21 25 Bi 0.37500000000000 0.00000000000000 0.11421162473799 208.980 > 25 26 Bi 0.87500000000000 0.00000000000000 0.11421162473799 208.980 > 25 27 Bi 0.37500000000000 0.50000000000000 0.11421162473799 208.980 > 25 28 Bi 0.87500000000000 0.50000000000000 0.11421162473799 208.980 > 25 29 Bi 0.12500000000000 0.00000000000000 0.88578837526201 208.980 > 29 30 Bi 0.62500000000000 0.00000000000000 0.88578837526201 208.980 > 29 31 Bi 0.12500000000000 0.50000000000000 0.88578837526201 208.980 > 29 32 Bi 0.62500000000000 0.50000000000000 0.88578837526201 208.980 > 29 33 O 0.29682227389853 0.11571854177783 0.44704372243621 15.999 > 33 34 O 0.79682227389853 0.11571854177783 0.44704372243621 15.999 > 33 35 O 0.29682227389853 0.61571854177783 0.44704372243621 15.999 > 33 36 O 0.79682227389853 0.61571854177783 0.44704372243621 15.999 > 33 37 O 0.20317772610147 0.38428145822217 0.55295627756379 15.999 > 37 38 O 0.70317772610147 0.38428145822217 0.55295627756379 15.999 > 37 39 O 0.20317772610147 0.88428145822217 0.55295627756379 15.999 > 37 40 O 0.70317772610147 0.88428145822217 0.55295627756379 15.999 > 37 41 O 0.04682227389853 0.38428145822217 0.05295627756379 15.999 > 41 42 O 0.54682227389853 0.38428145822217 0.05295627756379 15.999 > 41 43 O 0.04682227389853 0.88428145822217 0.05295627756379 15.999 > 41 44 O 0.54682227389853 0.88428145822217 0.05295627756379 15.999 > 41 45 O 0.45317772610147 0.11571854177783 0.94704372243621 15.999 > 45 46 O 0.95317772610147 0.11571854177783 0.94704372243621 15.999 > 45 47 O 0.45317772610147 0.61571854177783 0.94704372243621 15.999 > 45 48 O 0.95317772610147 0.61571854177783 0.94704372243621 15.999 > 45 49 O 0.20317772610147 0.11571854177783 0.05295627756379 15.999 > 49 50 O 0.70317772610147 0.11571854177783 0.05295627756379 15.999 > 49 51 O 0.20317772610147 0.61571854177783 0.05295627756379 15.999 > 49 52 O 0.70317772610147 0.61571854177783 0.05295627756379 15.999 > 49 53 O 0.25000000000000 0.32301668510755 0.25000000000000 15.999 > 53 54 O 0.75000000000000 0.32301668510755 0.25000000000000 15.999 > 53 55 O 0.25000000000000 0.82301668510755 0.25000000000000 15.999 > 53 56 O 0.75000000000000 0.82301668510755 0.25000000000000 15.999 > 53 57 O 0.00000000000000 0.32301668510755 0.75000000000000 15.999 > 57 58 O 0.50000000000000 0.32301668510755 0.75000000000000 15.999 > 57 59 O 0.00000000000000 0.82301668510755 0.75000000000000 15.999 > 57 60 O 0.50000000000000 0.82301668510755 0.75000000000000 15.999 > 57 61 O 0.04682227389853 0.11571854177783 0.55295627756379 15.999 > 61 62 O 0.54682227389853 0.11571854177783 0.55295627756379 15.999 > 61 63 O 0.04682227389853 0.61571854177783 0.55295627756379 15.999 > 61 64 O 0.54682227389853 0.61571854177783 0.55295627756379 15.999 > 61 65 O 0.45317772610147 0.38428145822217 0.44704372243621 15.999 > 65 66 O 0.95317772610147 0.38428145822217 0.44704372243621 15.999 > 65 67 O 0.45317772610147 0.88428145822217 0.44704372243621 15.999 > 65 68 O 0.95317772610147 0.88428145822217 0.44704372243621 15.999 > 65 69 O 0.00000000000000 0.17698331489245 0.25000000000000 15.999 > 69 70 O 0.50000000000000 0.17698331489245 0.25000000000000 15.999 > 69 71 O 0.00000000000000 0.67698331489245 0.25000000000000 15.999 > 69 72 O 0.50000000000000 0.67698331489245 0.25000000000000 15.999 > 69 73 O 0.29682227389853 0.38428145822217 0.94704372243621 15.999 > 73 74 O 0.79682227389853 0.38428145822217 0.94704372243621 15.999 > 73 75 O 0.29682227389853 0.88428145822217 0.94704372243621 15.999 > 73 76 O 0.79682227389853 0.88428145822217 0.94704372243621 15.999 > 73 77 O 0.25000000000000 0.17698331489245 0.75000000000000 15.999 > 77 78 O 0.75000000000000 0.17698331489245 0.75000000000000 15.999 > 77 79 O 0.25000000000000 0.67698331489245 0.75000000000000 15.999 > 77 80 O 0.75000000000000 0.67698331489245 0.75000000000000 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6678103 0.0000000 0.0000000 0.0000000 5.2502617 0.0000000 0.0000000 0.0000000 5.0545029 -------------------------- Born effective charges -------------------------- 1 Ga 3.0316500 -0.0541893 -0.0000000 0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 2 Ga 3.0316500 0.0541893 -0.0000000 -0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 3 Ga 3.0316500 0.0541893 -0.0000000 -0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 4 Ga 3.0316500 -0.0541893 -0.0000000 0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 5 Bi 5.0151600 -0.3582976 -0.0000000 -0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 6 Bi 5.0151600 -0.3582976 -0.0000000 -0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 7 Bi 5.0151600 0.3582976 -0.0000000 0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 8 Bi 5.0151600 0.3582976 -0.0000000 0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 9 O -2.7129175 -0.5658355 -0.6777941 -0.5436280 -2.4005768 0.7365706 -0.1649436 0.6847685 -2.2907187 10 O -2.7129175 -0.5658355 -0.6777941 -0.5436280 -2.4005768 0.7365706 -0.1649436 0.6847685 -2.2907187 11 O -2.7129175 0.5658355 0.6777941 0.5436280 -2.4005768 0.7365706 0.1649436 0.6847685 -2.2907187 12 O -2.7129175 0.5658355 0.6777941 0.5436280 -2.4005768 0.7365706 0.1649436 0.6847685 -2.2907187 13 O -2.7129175 0.5658355 -0.6777941 0.5436280 -2.4005768 -0.7365706 -0.1649436 -0.6847685 -2.2907187 14 O -2.6209751 0.0000000 -0.2266431 0.0000000 -2.6149594 -0.0000000 -0.1392143 0.0000000 -2.2415561 15 O -2.6209751 0.0000000 0.2266431 0.0000000 -2.6149594 -0.0000000 0.1392143 0.0000000 -2.2415561 16 O -2.7129175 -0.5658355 0.6777941 -0.5436280 -2.4005768 -0.7365706 0.1649436 -0.6847685 -2.2907187 17 O -2.7129175 -0.5658355 0.6777941 -0.5436280 -2.4005768 -0.7365706 0.1649436 -0.6847685 -2.2907187 18 O -2.6209751 0.0000000 0.2266431 0.0000000 -2.6149594 -0.0000000 0.1392143 0.0000000 -2.2415561 19 O -2.7129175 0.5658355 -0.6777941 0.5436280 -2.4005768 -0.7365706 -0.1649436 -0.6847685 -2.2907187 20 O -2.6209751 0.0000000 -0.2266431 0.0000000 -2.6149594 -0.0000000 -0.1392143 0.0000000 -2.2415561 ---------------------------------------------------------------------------- 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[ 17, 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[ 33, 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[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (yx) 0.00000003 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:04:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:04:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pcca (54) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.419557880000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.155527499999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.868935209999998 Atomic positions (fractional): 1 Ga 0.25000000000000 0.50000000000000 0.14153925719658 69.723 2 Ga 0.25000000000000 0.50000000000000 0.64153925719658 69.723 3 Ga 0.75000000000000 0.50000000000000 0.35846074280342 69.723 4 Ga 0.75000000000000 0.50000000000000 0.85846074280342 69.723 5 Bi 0.75000000000000 0.00000000000000 0.61421162473799 208.980 6 Bi 0.25000000000000 0.00000000000000 0.38578837526201 208.980 7 Bi 0.75000000000000 0.00000000000000 0.11421162473799 208.980 8 Bi 0.25000000000000 0.00000000000000 0.88578837526201 208.980 9 O 0.59364454779706 0.23143708355566 0.44704372243621 15.999 10 O 0.40635545220294 0.76856291644434 0.55295627756379 15.999 11 O 0.09364454779707 0.76856291644434 0.05295627756379 15.999 12 O 0.90635545220294 0.23143708355566 0.94704372243621 15.999 13 O 0.40635545220294 0.23143708355566 0.05295627756379 15.999 14 O 0.50000000000000 0.64603337021509 0.25000000000000 15.999 15 O 0.00000000000000 0.64603337021509 0.75000000000000 15.999 16 O 0.09364454779707 0.23143708355566 0.55295627756379 15.999 17 O 0.90635545220294 0.76856291644434 0.44704372243621 15.999 18 O 0.00000000000000 0.35396662978491 0.25000000000000 15.999 19 O 0.59364454779706 0.76856291644434 0.94704372243621 15.999 20 O 0.50000000000000 0.35396662978491 0.75000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.839115760000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.311054999999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.868935209999998 Atomic positions (fractional): 1 Ga 0.12500000000000 0.25000000000000 0.14153925719658 69.723 > 1 2 Ga 0.62500000000000 0.25000000000000 0.14153925719658 69.723 > 1 3 Ga 0.12500000000000 0.75000000000000 0.14153925719658 69.723 > 1 4 Ga 0.62500000000000 0.75000000000000 0.14153925719658 69.723 > 1 5 Ga 0.12500000000000 0.25000000000000 0.64153925719658 69.723 > 5 6 Ga 0.62500000000000 0.25000000000000 0.64153925719658 69.723 > 5 7 Ga 0.12500000000000 0.75000000000000 0.64153925719658 69.723 > 5 8 Ga 0.62500000000000 0.75000000000000 0.64153925719658 69.723 > 5 9 Ga 0.37500000000000 0.25000000000000 0.35846074280342 69.723 > 9 10 Ga 0.87500000000000 0.25000000000000 0.35846074280342 69.723 > 9 11 Ga 0.37500000000000 0.75000000000000 0.35846074280342 69.723 > 9 12 Ga 0.87500000000000 0.75000000000000 0.35846074280342 69.723 > 9 13 Ga 0.37500000000000 0.25000000000000 0.85846074280342 69.723 > 13 14 Ga 0.87500000000000 0.25000000000000 0.85846074280342 69.723 > 13 15 Ga 0.37500000000000 0.75000000000000 0.85846074280342 69.723 > 13 16 Ga 0.87500000000000 0.75000000000000 0.85846074280342 69.723 > 13 17 Bi 0.37500000000000 0.00000000000000 0.61421162473799 208.980 > 17 18 Bi 0.87500000000000 0.00000000000000 0.61421162473799 208.980 > 17 19 Bi 0.37500000000000 0.50000000000000 0.61421162473799 208.980 > 17 20 Bi 0.87500000000000 0.50000000000000 0.61421162473799 208.980 > 17 21 Bi 0.12500000000000 0.00000000000000 0.38578837526201 208.980 > 21 22 Bi 0.62500000000000 0.00000000000000 0.38578837526201 208.980 > 21 23 Bi 0.12500000000000 0.50000000000000 0.38578837526201 208.980 > 21 24 Bi 0.62500000000000 0.50000000000000 0.38578837526201 208.980 > 21 25 Bi 0.37500000000000 0.00000000000000 0.11421162473799 208.980 > 25 26 Bi 0.87500000000000 0.00000000000000 0.11421162473799 208.980 > 25 27 Bi 0.37500000000000 0.50000000000000 0.11421162473799 208.980 > 25 28 Bi 0.87500000000000 0.50000000000000 0.11421162473799 208.980 > 25 29 Bi 0.12500000000000 0.00000000000000 0.88578837526201 208.980 > 29 30 Bi 0.62500000000000 0.00000000000000 0.88578837526201 208.980 > 29 31 Bi 0.12500000000000 0.50000000000000 0.88578837526201 208.980 > 29 32 Bi 0.62500000000000 0.50000000000000 0.88578837526201 208.980 > 29 33 O 0.29682227389853 0.11571854177783 0.44704372243621 15.999 > 33 34 O 0.79682227389853 0.11571854177783 0.44704372243621 15.999 > 33 35 O 0.29682227389853 0.61571854177783 0.44704372243621 15.999 > 33 36 O 0.79682227389853 0.61571854177783 0.44704372243621 15.999 > 33 37 O 0.20317772610147 0.38428145822217 0.55295627756379 15.999 > 37 38 O 0.70317772610147 0.38428145822217 0.55295627756379 15.999 > 37 39 O 0.20317772610147 0.88428145822217 0.55295627756379 15.999 > 37 40 O 0.70317772610147 0.88428145822217 0.55295627756379 15.999 > 37 41 O 0.04682227389853 0.38428145822217 0.05295627756379 15.999 > 41 42 O 0.54682227389853 0.38428145822217 0.05295627756379 15.999 > 41 43 O 0.04682227389853 0.88428145822217 0.05295627756379 15.999 > 41 44 O 0.54682227389853 0.88428145822217 0.05295627756379 15.999 > 41 45 O 0.45317772610147 0.11571854177783 0.94704372243621 15.999 > 45 46 O 0.95317772610147 0.11571854177783 0.94704372243621 15.999 > 45 47 O 0.45317772610147 0.61571854177783 0.94704372243621 15.999 > 45 48 O 0.95317772610147 0.61571854177783 0.94704372243621 15.999 > 45 49 O 0.20317772610147 0.11571854177783 0.05295627756379 15.999 > 49 50 O 0.70317772610147 0.11571854177783 0.05295627756379 15.999 > 49 51 O 0.20317772610147 0.61571854177783 0.05295627756379 15.999 > 49 52 O 0.70317772610147 0.61571854177783 0.05295627756379 15.999 > 49 53 O 0.25000000000000 0.32301668510755 0.25000000000000 15.999 > 53 54 O 0.75000000000000 0.32301668510755 0.25000000000000 15.999 > 53 55 O 0.25000000000000 0.82301668510755 0.25000000000000 15.999 > 53 56 O 0.75000000000000 0.82301668510755 0.25000000000000 15.999 > 53 57 O 0.00000000000000 0.32301668510755 0.75000000000000 15.999 > 57 58 O 0.50000000000000 0.32301668510755 0.75000000000000 15.999 > 57 59 O 0.00000000000000 0.82301668510755 0.75000000000000 15.999 > 57 60 O 0.50000000000000 0.82301668510755 0.75000000000000 15.999 > 57 61 O 0.04682227389853 0.11571854177783 0.55295627756379 15.999 > 61 62 O 0.54682227389853 0.11571854177783 0.55295627756379 15.999 > 61 63 O 0.04682227389853 0.61571854177783 0.55295627756379 15.999 > 61 64 O 0.54682227389853 0.61571854177783 0.55295627756379 15.999 > 61 65 O 0.45317772610147 0.38428145822217 0.44704372243621 15.999 > 65 66 O 0.95317772610147 0.38428145822217 0.44704372243621 15.999 > 65 67 O 0.45317772610147 0.88428145822217 0.44704372243621 15.999 > 65 68 O 0.95317772610147 0.88428145822217 0.44704372243621 15.999 > 65 69 O 0.00000000000000 0.17698331489245 0.25000000000000 15.999 > 69 70 O 0.50000000000000 0.17698331489245 0.25000000000000 15.999 > 69 71 O 0.00000000000000 0.67698331489245 0.25000000000000 15.999 > 69 72 O 0.50000000000000 0.67698331489245 0.25000000000000 15.999 > 69 73 O 0.29682227389853 0.38428145822217 0.94704372243621 15.999 > 73 74 O 0.79682227389853 0.38428145822217 0.94704372243621 15.999 > 73 75 O 0.29682227389853 0.88428145822217 0.94704372243621 15.999 > 73 76 O 0.79682227389853 0.88428145822217 0.94704372243621 15.999 > 73 77 O 0.25000000000000 0.17698331489245 0.75000000000000 15.999 > 77 78 O 0.75000000000000 0.17698331489245 0.75000000000000 15.999 > 77 79 O 0.25000000000000 0.67698331489245 0.75000000000000 15.999 > 77 80 O 0.75000000000000 0.67698331489245 0.75000000000000 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6678103 0.0000000 0.0000000 0.0000000 5.2502617 0.0000000 0.0000000 0.0000000 5.0545029 -------------------------- Born effective charges -------------------------- 1 Ga 3.0316500 -0.0541893 -0.0000000 0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 2 Ga 3.0316500 0.0541893 -0.0000000 -0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 3 Ga 3.0316500 0.0541893 -0.0000000 -0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 4 Ga 3.0316500 -0.0541893 -0.0000000 0.0230485 3.6519393 -0.0000000 0.0000000 0.0000000 2.8058420 5 Bi 5.0151600 -0.3582976 -0.0000000 -0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 6 Bi 5.0151600 -0.3582976 -0.0000000 -0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 7 Bi 5.0151600 0.3582976 -0.0000000 0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 8 Bi 5.0151600 0.3582976 -0.0000000 0.2868077 3.7641736 -0.0000000 0.0000000 0.0000000 4.0171516 9 O -2.7129175 -0.5658355 -0.6777941 -0.5436280 -2.4005768 0.7365706 -0.1649436 0.6847685 -2.2907187 10 O -2.7129175 -0.5658355 -0.6777941 -0.5436280 -2.4005768 0.7365706 -0.1649436 0.6847685 -2.2907187 11 O -2.7129175 0.5658355 0.6777941 0.5436280 -2.4005768 0.7365706 0.1649436 0.6847685 -2.2907187 12 O -2.7129175 0.5658355 0.6777941 0.5436280 -2.4005768 0.7365706 0.1649436 0.6847685 -2.2907187 13 O -2.7129175 0.5658355 -0.6777941 0.5436280 -2.4005768 -0.7365706 -0.1649436 -0.6847685 -2.2907187 14 O -2.6209751 0.0000000 -0.2266431 0.0000000 -2.6149594 -0.0000000 -0.1392143 0.0000000 -2.2415561 15 O -2.6209751 0.0000000 0.2266431 0.0000000 -2.6149594 -0.0000000 0.1392143 0.0000000 -2.2415561 16 O -2.7129175 -0.5658355 0.6777941 -0.5436280 -2.4005768 -0.7365706 0.1649436 -0.6847685 -2.2907187 17 O -2.7129175 -0.5658355 0.6777941 -0.5436280 -2.4005768 -0.7365706 0.1649436 -0.6847685 -2.2907187 18 O -2.6209751 0.0000000 0.2266431 0.0000000 -2.6149594 -0.0000000 0.1392143 0.0000000 -2.2415561 19 O -2.7129175 0.5658355 -0.6777941 0.5436280 -2.4005768 -0.7365706 -0.1649436 -0.6847685 -2.2907187 20 O -2.6209751 0.0000000 -0.2266431 0.0000000 -2.6149594 -0.0000000 -0.1392143 0.0000000 -2.2415561 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 10 5 ] 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: 0.64, Number of G-points: 301, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 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 0.455 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.316 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 7.070 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 8.172 ( 0.000 0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.634 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 0.000 0.000) 0.000 10.551 ( 0.000 0.000 0.000) 0.000 10.596 ( 0.000 0.000 0.000) 0.000 11.365 ( 0.000 0.000 0.000) 0.000 11.679 ( 0.000 0.000 0.000) 0.000 11.830 ( 0.000 0.000 0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.588 ( 0.000 0.000 0.000) 0.000 15.263 ( 0.000 0.000 0.000) 0.000 16.210 ( 0.000 0.000 0.000) 0.000 17.343 ( 0.000 0.000 0.000) 0.000 17.565 ( 0.000 0.000 0.000) 0.000 17.927 ( 0.000 0.000 0.000) 0.000 18.088 ( 0.000 0.000 0.000) 0.000 18.285 ( 0.000 0.000 0.000) 0.000 18.518 ( 0.000 0.000 0.000) 0.000 19.206 ( 0.000 0.000 0.000) 0.000 19.208 ( 0.000 0.000 0.000) 0.000 19.814 ( 0.000 0.000 0.000) 0.000 19.988 ( 0.000 0.000 0.000) 0.000 20.549 ( 0.000 0.000 0.000) 0.000 21.028 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 21.914 0.000 0.000) 21.914 0.571 ( 25.671 0.000 0.000) 25.671 0.696 ( 22.693 0.000 0.000) 22.693 0.988 ( 42.174 0.000 0.000) 42.174 1.479 ( 1.569 0.000 0.000) 1.569 1.769 ( 3.215 0.000 0.000) 3.215 2.051 ( 6.015 0.000 0.000) 6.015 2.332 ( 3.808 0.000 0.000) 3.808 2.521 ( 11.887 0.000 0.000) 11.887 2.613 ( 14.044 0.000 0.000) 14.044 3.112 ( 5.269 0.000 0.000) 5.269 3.155 ( 2.913 0.000 0.000) 2.913 3.326 ( 9.558 0.000 0.000) 9.558 3.541 ( 0.291 0.000 0.000) 0.291 3.691 ( -1.579 0.000 0.000) 1.579 3.906 ( 17.397 0.000 0.000) 17.397 4.044 ( -1.705 0.000 0.000) 1.705 4.146 ( -15.532 0.000 0.000) 15.532 5.088 ( 7.966 0.000 0.000) 7.966 5.237 ( 7.251 0.000 0.000) 7.251 5.566 ( -13.293 0.000 0.000) 13.293 5.634 ( 3.217 0.000 0.000) 3.217 5.994 ( 8.885 0.000 0.000) 8.885 6.046 ( -17.762 0.000 0.000) 17.762 6.508 ( 21.143 0.000 0.000) 21.143 6.613 ( -0.547 0.000 0.000) 0.547 6.615 ( -2.552 0.000 0.000) 2.552 7.024 ( -4.198 0.000 0.000) 4.198 7.144 ( -8.608 0.000 0.000) 8.608 7.251 ( -1.301 0.000 0.000) 1.301 7.453 ( 17.108 0.000 0.000) 17.108 7.829 ( -9.755 0.000 0.000) 9.755 8.074 ( -9.274 0.000 0.000) 9.274 8.249 ( 2.413 0.000 0.000) 2.413 8.645 ( 0.607 0.000 0.000) 0.607 9.611 ( -27.951 0.000 0.000) 27.951 10.550 ( 1.549 0.000 0.000) 1.549 10.924 ( 17.398 0.000 0.000) 17.398 11.349 ( -1.853 0.000 0.000) 1.853 11.637 ( -3.990 0.000 0.000) 3.990 12.042 ( 22.248 0.000 0.000) 22.248 12.424 ( -2.091 0.000 0.000) 2.091 12.472 ( -3.444 0.000 0.000) 3.444 13.146 ( -1.806 0.000 0.000) 1.806 13.526 ( -5.826 0.000 0.000) 5.826 14.900 ( 2.073 0.000 0.000) 2.073 15.272 ( 0.695 0.000 0.000) 0.695 16.116 ( -8.940 0.000 0.000) 8.940 17.341 ( -0.061 0.000 0.000) 0.061 17.592 ( -0.815 0.000 0.000) 0.815 17.834 ( -7.677 0.000 0.000) 7.677 17.968 ( -10.440 0.000 0.000) 10.440 18.625 ( 9.025 0.000 0.000) 9.025 19.210 ( 0.394 0.000 0.000) 0.394 19.243 ( 3.143 0.000 0.000) 3.143 19.726 ( -6.860 0.000 0.000) 6.860 20.102 ( 9.971 0.000 0.000) 9.971 20.217 ( 6.208 0.000 0.000) 6.208 20.553 ( 0.397 0.000 0.000) 0.397 21.010 ( -1.646 0.000 0.000) 1.646 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 22.310 0.000 0.000) 22.310 1.040 ( 20.369 0.000 0.000) 20.369 1.168 ( 22.789 0.000 0.000) 22.789 1.494 ( -0.395 0.000 0.000) 0.395 1.690 ( -7.890 0.000 0.000) 7.890 1.726 ( 27.188 0.000 0.000) 27.188 2.169 ( 4.276 0.000 0.000) 4.276 2.409 ( 2.800 0.000 0.000) 2.800 2.880 ( 22.096 0.000 0.000) 22.096 3.052 ( 22.453 0.000 0.000) 22.453 3.190 ( -0.531 0.000 0.000) 0.531 3.272 ( 10.324 0.000 0.000) 10.324 3.525 ( -13.616 0.000 0.000) 13.616 3.562 ( 1.845 0.000 0.000) 1.845 3.648 ( 22.266 0.000 0.000) 22.266 4.012 ( 2.043 0.000 0.000) 2.043 4.110 ( 11.033 0.000 0.000) 11.033 4.345 ( 24.241 0.000 0.000) 24.241 5.108 ( -5.059 0.000 0.000) 5.059 5.307 ( -11.390 0.000 0.000) 11.390 5.410 ( 7.825 0.000 0.000) 7.825 5.689 ( 1.972 0.000 0.000) 1.972 5.702 ( -14.939 0.000 0.000) 14.939 6.088 ( -4.331 0.000 0.000) 4.331 6.484 ( -11.409 0.000 0.000) 11.409 6.719 ( 15.673 0.000 0.000) 15.673 6.907 ( -7.099 0.000 0.000) 7.099 6.934 ( -9.168 0.000 0.000) 9.168 6.992 ( 23.432 0.000 0.000) 23.432 7.183 ( -5.893 0.000 0.000) 5.893 7.576 ( -13.442 0.000 0.000) 13.442 7.809 ( -16.062 0.000 0.000) 16.062 7.872 ( 21.475 0.000 0.000) 21.475 8.275 ( -0.595 0.000 0.000) 0.595 8.637 ( -1.893 0.000 0.000) 1.893 9.111 ( -19.686 0.000 0.000) 19.686 10.597 ( 3.028 0.000 0.000) 3.028 11.111 ( 3.165 0.000 0.000) 3.165 11.273 ( -5.924 0.000 0.000) 5.924 11.524 ( -6.682 0.000 0.000) 6.682 12.384 ( -1.156 0.000 0.000) 1.156 12.417 ( -0.770 0.000 0.000) 0.770 12.673 ( 32.203 0.000 0.000) 32.203 13.117 ( 2.354 0.000 0.000) 2.354 13.361 ( -9.940 0.000 0.000) 9.940 14.957 ( 3.329 0.000 0.000) 3.329 15.281 ( -0.088 0.000 0.000) 0.088 15.857 ( -15.990 0.000 0.000) 15.990 17.344 ( 0.479 0.000 0.000) 0.479 17.567 ( -1.692 0.000 0.000) 1.692 17.658 ( -8.820 0.000 0.000) 8.820 17.723 ( -12.179 0.000 0.000) 12.179 18.838 ( 10.921 0.000 0.000) 10.921 19.222 ( 0.807 0.000 0.000) 0.807 19.316 ( 3.403 0.000 0.000) 3.403 19.578 ( -7.145 0.000 0.000) 7.145 20.339 ( 11.975 0.000 0.000) 11.975 20.347 ( 6.008 0.000 0.000) 6.008 20.563 ( 0.457 0.000 0.000) 0.457 20.966 ( -2.444 0.000 0.000) 2.444 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 20.395 0.000 0.000) 20.395 1.401 ( 10.418 0.000 0.000) 10.418 1.497 ( 5.840 0.000 0.000) 5.840 1.536 ( -6.207 0.000 0.000) 6.207 1.610 ( 19.755 0.000 0.000) 19.755 2.059 ( 6.115 0.000 0.000) 6.115 2.188 ( -2.805 0.000 0.000) 2.805 2.419 ( -2.270 0.000 0.000) 2.270 3.137 ( -3.751 0.000 0.000) 3.751 3.258 ( -10.892 0.000 0.000) 10.892 3.323 ( 16.832 0.000 0.000) 16.832 3.408 ( 12.220 0.000 0.000) 12.220 3.568 ( 20.829 0.000 0.000) 20.829 3.638 ( 6.251 0.000 0.000) 6.251 4.084 ( 2.217 0.000 0.000) 2.217 4.153 ( 22.940 0.000 0.000) 22.940 4.503 ( 23.963 0.000 0.000) 23.963 4.861 ( 24.061 0.000 0.000) 24.061 4.949 ( -8.416 0.000 0.000) 8.416 5.124 ( -5.352 0.000 0.000) 5.352 5.457 ( -4.437 0.000 0.000) 4.437 5.462 ( -6.871 0.000 0.000) 6.871 5.755 ( 4.879 0.000 0.000) 4.879 5.890 ( -12.282 0.000 0.000) 12.282 6.195 ( -14.597 0.000 0.000) 14.597 6.708 ( -14.237 0.000 0.000) 14.237 6.748 ( -6.902 0.000 0.000) 6.902 7.029 ( -6.732 0.000 0.000) 6.732 7.085 ( 11.174 0.000 0.000) 11.174 7.314 ( -11.565 0.000 0.000) 11.565 7.484 ( -9.380 0.000 0.000) 9.380 7.496 ( 23.959 0.000 0.000) 23.959 8.207 ( -6.126 0.000 0.000) 6.126 8.279 ( 17.168 0.000 0.000) 17.168 8.548 ( -7.154 0.000 0.000) 7.154 8.820 ( -9.094 0.000 0.000) 9.094 10.673 ( 4.417 0.000 0.000) 4.417 11.113 ( -9.081 0.000 0.000) 9.081 11.138 ( 0.659 0.000 0.000) 0.659 11.378 ( -7.119 0.000 0.000) 7.119 12.400 ( 3.064 0.000 0.000) 3.064 12.467 ( 5.695 0.000 0.000) 5.695 12.863 ( -5.811 0.000 0.000) 5.811 13.132 ( -12.119 0.000 0.000) 12.119 13.620 ( 37.237 0.000 0.000) 37.237 15.033 ( 4.025 0.000 0.000) 4.025 15.261 ( -1.973 0.000 0.000) 1.973 15.471 ( -21.539 0.000 0.000) 21.539 17.365 ( 1.583 0.000 0.000) 1.583 17.492 ( -6.961 0.000 0.000) 6.961 17.505 ( -8.507 0.000 0.000) 8.507 17.523 ( -2.507 0.000 0.000) 2.507 19.053 ( 9.733 0.000 0.000) 9.733 19.244 ( 1.395 0.000 0.000) 1.395 19.361 ( 0.635 0.000 0.000) 0.635 19.444 ( -5.708 0.000 0.000) 5.708 20.454 ( 4.341 0.000 0.000) 4.341 20.565 ( 9.772 0.000 0.000) 9.772 20.568 ( 0.005 0.000 0.000) 0.005 20.912 ( -2.876 0.000 0.000) 2.876 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.208 0.000 0.000) 0.208 1.448 ( -2.490 0.000 0.000) 2.490 1.711 ( 15.228 0.000 0.000) 15.228 1.789 ( 15.112 0.000 0.000) 15.112 1.897 ( 2.042 0.000 0.000) 2.042 2.054 ( -10.116 0.000 0.000) 10.116 2.107 ( 5.885 0.000 0.000) 5.885 2.306 ( -8.787 0.000 0.000) 8.787 3.075 ( -1.464 0.000 0.000) 1.464 3.101 ( -4.348 0.000 0.000) 4.348 3.535 ( 5.441 0.000 0.000) 5.441 3.562 ( 2.952 0.000 0.000) 2.952 3.818 ( 10.638 0.000 0.000) 10.638 4.027 ( -7.995 0.000 0.000) 7.995 4.077 ( 24.922 0.000 0.000) 24.922 4.414 ( -2.305 0.000 0.000) 2.305 4.823 ( 3.044 0.000 0.000) 3.044 4.838 ( -1.810 0.000 0.000) 1.810 5.107 ( 3.787 0.000 0.000) 3.787 5.240 ( 18.352 0.000 0.000) 18.352 5.282 ( -10.867 0.000 0.000) 10.867 5.613 ( -15.458 0.000 0.000) 15.458 5.654 ( 23.121 0.000 0.000) 23.121 5.836 ( 2.067 0.000 0.000) 2.067 5.986 ( -3.453 0.000 0.000) 3.453 6.288 ( -24.933 0.000 0.000) 24.933 6.699 ( 3.381 0.000 0.000) 3.381 6.909 ( -15.732 0.000 0.000) 15.732 6.988 ( 2.656 0.000 0.000) 2.656 7.108 ( -8.370 0.000 0.000) 8.370 7.679 ( 16.893 0.000 0.000) 16.893 7.909 ( 7.654 0.000 0.000) 7.654 8.061 ( 0.068 0.000 0.000) 0.068 8.334 ( -13.737 0.000 0.000) 13.737 8.552 ( 9.462 0.000 0.000) 9.462 8.690 ( -5.126 0.000 0.000) 5.126 10.780 ( 6.134 0.000 0.000) 6.134 10.929 ( -8.333 0.000 0.000) 8.333 11.167 ( 2.514 0.000 0.000) 2.514 11.248 ( -5.326 0.000 0.000) 5.326 12.513 ( 7.765 0.000 0.000) 7.765 12.638 ( 10.451 0.000 0.000) 10.451 12.696 ( -9.327 0.000 0.000) 9.327 12.877 ( -12.423 0.000 0.000) 12.423 14.355 ( 33.294 0.000 0.000) 33.294 14.974 ( -27.093 0.000 0.000) 27.093 15.119 ( 4.268 0.000 0.000) 4.268 15.202 ( -3.633 0.000 0.000) 3.633 17.387 ( -2.853 0.000 0.000) 2.853 17.388 ( -2.818 0.000 0.000) 2.818 17.409 ( 2.592 0.000 0.000) 2.592 17.467 ( -2.918 0.000 0.000) 2.918 19.227 ( 7.024 0.000 0.000) 7.024 19.282 ( 2.395 0.000 0.000) 2.395 19.334 ( -3.339 0.000 0.000) 3.339 19.346 ( -3.913 0.000 0.000) 3.913 20.524 ( 2.509 0.000 0.000) 2.509 20.559 ( -0.998 0.000 0.000) 0.998 20.734 ( 6.655 0.000 0.000) 6.655 20.842 ( -4.136 0.000 0.000) 4.136 ======================= Grid point 9 (6/90) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.000 25.427 0.000) 25.427 0.543 ( 0.000 27.292 0.000) 27.292 0.954 ( 0.000 47.918 0.000) 47.918 1.040 ( 0.000 40.608 0.000) 40.608 1.708 ( 0.000 18.723 0.000) 18.723 1.818 ( 0.000 13.550 0.000) 13.550 1.977 ( 0.000 0.229 0.000) 0.229 2.210 ( 0.000 -7.880 0.000) 7.880 2.494 ( 0.000 -2.663 0.000) 2.663 2.578 ( 0.000 -2.925 0.000) 2.925 2.591 ( 0.000 15.371 0.000) 15.371 3.018 ( 0.000 -2.230 0.000) 2.230 3.297 ( 0.000 5.172 0.000) 5.172 3.352 ( 0.000 1.626 0.000) 1.626 3.588 ( 0.000 4.743 0.000) 4.743 3.720 ( 0.000 2.466 0.000) 2.466 3.837 ( 0.000 14.110 0.000) 14.110 4.395 ( 0.000 -1.452 0.000) 1.452 4.888 ( 0.000 -2.065 0.000) 2.065 5.192 ( 0.000 3.082 0.000) 3.082 5.669 ( 0.000 7.077 0.000) 7.077 5.777 ( 0.000 -10.907 0.000) 10.907 6.188 ( 0.000 -3.838 0.000) 3.838 6.212 ( 0.000 -20.292 0.000) 20.292 6.355 ( 0.000 3.427 0.000) 3.427 6.556 ( 0.000 3.764 0.000) 3.764 6.941 ( 0.000 15.390 0.000) 15.390 6.994 ( 0.000 -6.721 0.000) 6.721 7.208 ( 0.000 2.619 0.000) 2.619 7.258 ( 0.000 -0.002 0.000) 0.002 7.607 ( 0.000 -4.465 0.000) 4.465 7.926 ( 0.000 -1.098 0.000) 1.098 8.156 ( 0.000 -5.979 0.000) 5.979 8.212 ( 0.000 3.631 0.000) 3.631 8.674 ( 0.000 3.820 0.000) 3.820 10.384 ( 0.000 5.589 0.000) 5.589 10.408 ( 0.000 -14.275 0.000) 14.275 10.616 ( 0.000 8.169 0.000) 8.169 10.632 ( 0.000 3.598 0.000) 3.598 11.179 ( 0.000 -19.194 0.000) 19.194 11.585 ( 0.000 -6.841 0.000) 6.841 12.449 ( 0.000 0.061 0.000) 0.061 12.619 ( 0.000 8.779 0.000) 8.779 13.158 ( 0.000 -0.598 0.000) 0.598 13.555 ( 0.000 -3.298 0.000) 3.298 13.863 ( 0.000 -2.076 0.000) 2.076 15.215 ( 0.000 -4.837 0.000) 4.837 16.213 ( 0.000 0.077 0.000) 0.077 17.363 ( 0.000 2.096 0.000) 2.096 17.445 ( 0.000 -9.754 0.000) 9.754 18.106 ( 0.000 1.763 0.000) 1.763 18.260 ( 0.000 -1.102 0.000) 1.102 18.756 ( 0.000 19.987 0.000) 19.987 19.127 ( 0.000 -7.900 0.000) 7.900 19.128 ( 0.000 -7.371 0.000) 7.371 19.805 ( 0.000 -0.823 0.000) 0.823 19.993 ( 0.000 0.198 0.000) 0.198 20.585 ( 0.000 3.404 0.000) 3.404 20.766 ( 0.000 0.995 0.000) 0.995 21.013 ( 0.000 -1.507 0.000) 1.507 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.11 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 14.058 21.458 0.000) 25.653 0.765 ( 18.778 16.176 0.000) 24.785 1.041 ( 11.566 31.294 0.000) 33.363 1.357 ( 21.062 30.441 0.000) 37.017 1.679 ( -2.183 15.527 0.000) 15.680 1.829 ( -2.470 5.060 0.000) 5.631 2.046 ( 5.737 -0.568 0.000) 5.765 2.282 ( 5.084 -4.843 0.000) 7.022 2.611 ( 14.839 -0.465 0.000) 14.846 2.647 ( 6.503 8.014 0.000) 10.320 2.880 ( 14.478 -9.327 0.000) 17.222 3.205 ( 6.704 -1.805 0.000) 6.942 3.372 ( 7.341 2.753 0.000) 7.840 3.552 ( 3.047 -1.469 0.000) 3.383 3.709 ( 19.152 -7.431 0.000) 20.543 3.713 ( -0.775 2.938 0.000) 3.038 3.970 ( 5.625 6.440 0.000) 8.551 4.197 ( -5.086 5.621 0.000) 7.581 5.072 ( 9.027 -1.773 0.000) 9.199 5.236 ( 2.528 -1.974 0.000) 3.208 5.493 ( -8.040 7.682 0.000) 11.120 5.752 ( -4.947 -16.907 0.000) 17.615 6.120 ( -3.159 -0.932 0.000) 3.294 6.212 ( -19.377 23.917 0.000) 30.781 6.369 ( 1.028 -10.021 0.000) 10.074 6.486 ( 21.408 -1.827 0.000) 21.486 6.859 ( -7.802 12.092 0.000) 14.391 6.953 ( -3.835 -6.361 0.000) 7.427 7.170 ( -5.422 1.834 0.000) 5.724 7.331 ( -9.615 5.184 0.000) 10.924 7.438 ( 15.075 -1.187 0.000) 15.122 7.848 ( -7.133 1.618 0.000) 7.314 8.132 ( -7.421 5.070 0.000) 8.988 8.188 ( 2.435 -6.015 0.000) 6.489 8.675 ( -0.040 3.064 0.000) 3.065 9.642 ( -29.573 1.248 0.000) 29.599 10.593 ( 0.772 3.949 0.000) 4.024 10.857 ( 16.713 -4.080 0.000) 17.204 11.180 ( -0.155 -17.897 0.000) 17.898 11.537 ( -4.509 -7.069 0.000) 8.385 11.677 ( 47.366 -25.532 0.000) 53.809 12.429 ( -1.735 0.416 0.000) 1.785 12.568 ( -4.311 8.048 0.000) 9.130 12.983 ( -6.449 -8.090 0.000) 10.346 13.516 ( -4.404 -1.403 0.000) 4.622 14.473 ( 29.816 -20.421 0.000) 36.139 15.221 ( 0.425 -5.072 0.000) 5.090 16.106 ( -10.020 -1.212 0.000) 10.093 17.368 ( 0.375 2.677 0.000) 2.703 17.480 ( 1.661 -9.526 0.000) 9.670 17.995 ( -9.620 2.605 0.000) 9.966 18.048 ( -14.731 6.980 0.000) 16.301 18.671 ( -1.548 13.956 0.000) 14.042 19.070 ( -1.612 -10.333 0.000) 10.458 19.242 ( 6.504 -3.501 0.000) 7.387 19.878 ( 1.384 4.100 0.000) 4.327 20.088 ( 8.351 -1.394 0.000) 8.466 20.466 ( -11.512 15.645 0.000) 19.424 20.592 ( 0.671 3.582 0.000) 3.644 21.000 ( -1.763 -0.996 0.000) 2.025 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.22 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 18.555 14.177 0.000) 23.352 1.162 ( 18.177 10.175 0.000) 20.831 1.346 ( 16.041 15.972 0.000) 22.637 1.580 ( -2.131 10.549 0.000) 10.762 1.697 ( -8.456 0.619 0.000) 8.479 1.824 ( 18.141 9.300 0.000) 20.386 2.165 ( 4.533 -0.594 0.000) 4.571 2.365 ( 2.953 -4.315 0.000) 5.229 2.831 ( 10.408 -7.607 0.000) 12.892 3.037 ( 21.525 -1.412 0.000) 21.571 3.178 ( 13.937 2.920 0.000) 14.239 3.305 ( 3.809 1.650 0.000) 4.151 3.540 ( -10.006 1.054 0.000) 10.061 3.589 ( 3.140 1.942 0.000) 3.692 3.617 ( 11.529 -4.081 0.000) 12.230 4.026 ( 8.015 3.691 0.000) 8.824 4.084 ( 19.643 0.382 0.000) 19.647 4.438 ( 19.111 7.466 0.000) 20.518 5.123 ( -3.416 1.642 0.000) 3.791 5.185 ( -6.216 -7.404 0.000) 9.667 5.495 ( 4.997 7.838 0.000) 9.295 5.543 ( -13.007 -15.483 0.000) 20.221 5.918 ( -10.221 16.245 0.000) 19.193 6.043 ( -8.221 -1.895 0.000) 8.436 6.522 ( 11.356 -6.886 0.000) 13.281 6.662 ( -7.179 3.594 0.000) 8.028 6.823 ( -5.555 -7.200 0.000) 9.094 6.934 ( 5.551 -0.997 0.000) 5.640 7.021 ( 5.374 2.800 0.000) 6.060 7.223 ( -4.068 3.548 0.000) 5.398 7.625 ( -7.813 1.815 0.000) 8.021 7.739 ( -1.183 0.010 0.000) 1.183 7.999 ( 2.776 7.414 0.000) 7.917 8.217 ( -0.466 -5.776 0.000) 5.795 8.661 ( -1.518 2.627 0.000) 3.034 9.149 ( -18.122 3.261 0.000) 18.413 10.613 ( 1.520 1.550 0.000) 2.171 11.055 ( 3.842 -4.835 0.000) 6.176 11.157 ( -2.646 -13.343 0.000) 13.603 11.411 ( -7.312 -8.088 0.000) 10.903 12.397 ( -0.746 1.257 0.000) 1.462 12.484 ( -2.737 5.530 0.000) 6.171 12.567 ( 39.565 -11.455 0.000) 41.190 12.910 ( 0.219 -14.251 0.000) 14.252 13.381 ( -8.613 0.602 0.000) 8.634 14.848 ( 10.108 -9.929 0.000) 14.169 15.221 ( -0.717 -5.853 0.000) 5.897 15.825 ( -16.805 -3.332 0.000) 17.132 17.374 ( 0.045 2.969 0.000) 2.969 17.449 ( -4.750 -5.944 0.000) 7.609 17.776 ( -10.257 5.236 0.000) 11.516 17.846 ( -4.970 8.062 0.000) 9.471 18.701 ( 3.333 -2.138 0.000) 3.960 19.044 ( -1.255 -12.680 0.000) 12.742 19.377 ( 6.338 0.897 0.000) 6.401 19.807 ( -6.016 13.235 0.000) 14.538 20.287 ( 9.992 -4.190 0.000) 10.835 20.416 ( 2.822 6.707 0.000) 7.277 20.613 ( 1.466 4.180 0.000) 4.429 20.951 ( -2.767 -1.477 0.000) 3.137 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 16.600 8.028 0.000) 18.439 1.473 ( 1.137 5.567 0.000) 5.682 1.513 ( 11.792 2.874 0.000) 12.137 1.543 ( -5.328 0.713 0.000) 5.376 1.705 ( 14.191 9.022 0.000) 16.816 2.101 ( 7.515 4.603 0.000) 8.812 2.194 ( -1.971 0.294 0.000) 1.992 2.390 ( -0.841 -2.587 0.000) 2.720 2.999 ( 4.187 -10.720 0.000) 11.509 3.245 ( -8.814 -1.208 0.000) 8.897 3.403 ( 7.288 4.090 0.000) 8.357 3.420 ( 9.587 1.225 0.000) 9.665 3.467 ( 15.029 -4.053 0.000) 15.566 3.727 ( 10.981 4.087 0.000) 11.716 3.930 ( 13.165 -10.707 0.000) 16.970 4.241 ( 10.620 3.829 0.000) 11.289 4.540 ( 21.565 2.950 0.000) 21.766 4.820 ( 10.861 -4.103 0.000) 11.610 5.023 ( -1.055 6.226 0.000) 6.314 5.063 ( -4.631 -5.262 0.000) 7.010 5.291 ( -8.273 -14.499 0.000) 16.693 5.527 ( -3.434 7.590 0.000) 8.331 5.807 ( 0.538 3.990 0.000) 4.026 5.827 ( -10.471 -3.028 0.000) 10.900 6.383 ( -10.782 13.796 0.000) 17.510 6.612 ( -14.690 -8.760 0.000) 17.104 6.816 ( -4.694 5.936 0.000) 7.568 6.893 ( 11.310 -15.172 0.000) 18.923 7.066 ( -6.260 3.589 0.000) 7.216 7.418 ( -12.724 5.576 0.000) 13.892 7.479 ( 22.158 -1.755 0.000) 22.227 7.540 ( -6.628 6.247 0.000) 9.108 8.146 ( -6.699 -6.131 0.000) 9.081 8.223 ( 9.163 -4.708 0.000) 10.302 8.625 ( -0.630 6.702 0.000) 6.731 8.900 ( -6.969 7.503 0.000) 10.241 10.662 ( 3.310 -1.170 0.000) 3.511 11.056 ( -7.124 -6.502 0.000) 9.645 11.084 ( 0.235 -5.067 0.000) 5.073 11.265 ( -6.426 -9.747 0.000) 11.674 12.419 ( 3.193 1.892 0.000) 3.711 12.492 ( 3.855 1.996 0.000) 4.341 12.777 ( -4.337 -6.935 0.000) 8.180 13.153 ( -11.197 1.242 0.000) 11.265 13.493 ( 38.731 -11.777 0.000) 40.482 14.989 ( 4.962 -5.111 0.000) 7.124 15.175 ( -4.779 -7.973 0.000) 9.295 15.439 ( -19.748 -3.655 0.000) 20.084 17.337 ( -4.982 -5.208 0.000) 7.207 17.353 ( -2.547 0.325 0.000) 2.568 17.627 ( -3.319 10.454 0.000) 10.968 17.777 ( -2.994 12.911 0.000) 13.254 18.784 ( 4.475 -14.545 0.000) 15.218 19.011 ( -2.150 -15.666 0.000) 15.813 19.491 ( 4.581 5.021 0.000) 6.797 19.695 ( -4.482 14.153 0.000) 14.846 20.459 ( 6.024 -5.566 0.000) 8.202 20.485 ( 3.046 3.242 0.000) 4.449 20.660 ( 3.361 4.267 0.000) 5.431 20.893 ( -2.880 -1.929 0.000) 3.466 ======================= Grid point 13 (10/90) ======================= q-point: ( 0.44 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -0.921 1.118 0.000) 1.448 1.451 ( -2.221 0.438 0.000) 2.264 1.735 ( 10.928 2.161 0.000) 11.139 1.777 ( 8.981 -0.382 0.000) 8.989 1.935 ( 6.832 3.262 0.000) 7.570 2.088 ( -7.822 2.606 0.000) 8.245 2.191 ( 4.642 7.734 0.000) 9.020 2.320 ( -5.889 2.001 0.000) 6.219 3.028 ( 0.650 -4.655 0.000) 4.700 3.082 ( -5.311 -1.734 0.000) 5.587 3.543 ( 4.788 0.624 0.000) 4.829 3.564 ( 3.072 0.183 0.000) 3.077 3.794 ( 14.961 -2.533 0.000) 15.174 4.022 ( -5.188 -0.740 0.000) 5.240 4.050 ( 19.620 -1.962 0.000) 19.717 4.360 ( -4.118 -5.323 0.000) 6.730 4.796 ( 3.215 -3.293 0.000) 4.602 4.802 ( -0.886 -8.869 0.000) 8.913 4.929 ( -5.253 -9.858 0.000) 11.170 4.986 ( -5.455 -13.635 0.000) 14.686 5.480 ( 9.848 -1.966 0.000) 10.043 5.484 ( 1.782 9.227 0.000) 9.398 5.751 ( 11.040 -3.191 0.000) 11.492 5.923 ( 10.684 7.223 0.000) 12.896 6.173 ( -10.991 17.415 0.000) 20.593 6.207 ( -24.035 -7.100 0.000) 25.062 6.780 ( 1.388 7.588 0.000) 7.714 6.891 ( -7.973 -1.913 0.000) 8.199 7.014 ( 2.162 2.337 0.000) 3.184 7.144 ( -10.359 2.915 0.000) 10.762 7.660 ( 13.431 -1.106 0.000) 13.476 7.880 ( 9.849 -2.820 0.000) 10.245 7.968 ( -3.938 -8.277 0.000) 9.166 8.206 ( -9.701 -8.956 0.000) 13.203 8.698 ( 6.172 10.647 0.000) 12.307 8.803 ( -3.977 10.016 0.000) 10.777 10.753 ( 5.665 -2.618 0.000) 6.241 10.893 ( -7.874 -3.429 0.000) 8.588 11.098 ( 1.539 -6.648 0.000) 6.824 11.156 ( -4.139 -8.695 0.000) 9.630 12.522 ( 6.355 0.606 0.000) 6.384 12.641 ( 10.392 0.537 0.000) 10.406 12.660 ( -6.648 -3.083 0.000) 7.328 12.891 ( -13.205 1.295 0.000) 13.268 14.249 ( 33.812 -10.154 0.000) 35.304 14.865 ( -25.637 -9.908 0.000) 27.485 15.081 ( 4.346 -4.365 0.000) 6.160 15.177 ( -5.681 -3.376 0.000) 6.609 17.271 ( -1.230 -4.126 0.000) 4.306 17.288 ( -2.695 -2.355 0.000) 3.579 17.632 ( 2.755 14.442 0.000) 14.702 17.705 ( -3.891 15.485 0.000) 15.966 18.875 ( 4.285 -19.640 0.000) 20.102 18.954 ( -3.345 -18.793 0.000) 19.088 19.566 ( 2.944 9.075 0.000) 9.541 19.622 ( -2.839 12.442 0.000) 12.762 20.528 ( 1.130 0.643 0.000) 1.300 20.529 ( 1.270 -2.596 0.000) 2.890 20.747 ( 4.544 1.081 0.000) 4.671 20.829 ( -3.465 -1.281 0.000) 3.694 ======================= Grid point 18 (11/90) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 19.228 0.000) 19.228 1.042 ( 0.000 23.673 0.000) 23.673 1.741 ( 0.000 29.179 0.000) 29.179 1.834 ( 0.000 41.658 0.000) 41.658 1.968 ( 0.000 0.045 0.000) 0.045 1.999 ( 0.000 -13.112 0.000) 13.112 2.005 ( 0.000 11.214 0.000) 11.214 2.125 ( 0.000 15.959 0.000) 15.959 2.411 ( 0.000 -6.041 0.000) 6.041 2.490 ( 0.000 -4.653 0.000) 4.653 3.029 ( 0.000 3.342 0.000) 3.342 3.082 ( 0.000 33.030 0.000) 33.030 3.368 ( 0.000 1.833 0.000) 1.833 3.369 ( 0.000 0.318 0.000) 0.318 3.714 ( 0.000 8.075 0.000) 8.075 3.762 ( 0.000 0.917 0.000) 0.917 4.194 ( 0.000 12.178 0.000) 12.178 4.400 ( 0.000 9.791 0.000) 9.791 4.829 ( 0.000 -3.687 0.000) 3.687 5.258 ( 0.000 3.623 0.000) 3.623 5.539 ( 0.000 -12.222 0.000) 12.222 5.826 ( 0.000 -18.493 0.000) 18.493 5.894 ( 0.000 15.874 0.000) 15.874 6.092 ( 0.000 -6.021 0.000) 6.021 6.436 ( 0.000 4.852 0.000) 4.852 6.639 ( 0.000 4.385 0.000) 4.385 6.817 ( 0.000 -11.627 0.000) 11.627 7.156 ( 0.000 4.347 0.000) 4.347 7.260 ( 0.000 2.703 0.000) 2.703 7.325 ( 0.000 9.678 0.000) 9.678 7.494 ( 0.000 -6.706 0.000) 6.706 7.887 ( 0.000 -3.070 0.000) 3.070 7.990 ( 0.000 -10.976 0.000) 10.976 8.288 ( 0.000 3.560 0.000) 3.560 8.764 ( 0.000 4.983 0.000) 4.983 10.026 ( 0.000 -24.092 0.000) 24.092 10.537 ( 0.000 9.910 0.000) 9.910 10.688 ( 0.000 -29.047 0.000) 29.047 10.734 ( 0.000 6.700 0.000) 6.700 10.833 ( 0.000 13.622 0.000) 13.622 11.461 ( 0.000 -5.742 0.000) 5.742 12.449 ( 0.000 -0.162 0.000) 0.162 12.798 ( 0.000 9.072 0.000) 9.072 13.149 ( 0.000 -0.233 0.000) 0.233 13.462 ( 0.000 -6.274 0.000) 6.274 13.805 ( 0.000 -3.773 0.000) 3.773 15.088 ( 0.000 -7.754 0.000) 7.754 16.202 ( 0.000 -1.398 0.000) 1.398 17.263 ( 0.000 -8.147 0.000) 8.147 17.423 ( 0.000 4.008 0.000) 4.008 18.150 ( 0.000 2.560 0.000) 2.560 18.245 ( 0.000 -0.669 0.000) 0.669 18.927 ( 0.000 -12.045 0.000) 12.045 18.954 ( 0.000 -9.771 0.000) 9.771 19.182 ( 0.000 22.312 0.000) 22.312 19.785 ( 0.000 -1.218 0.000) 1.218 19.982 ( 0.000 -1.517 0.000) 1.517 20.663 ( 0.000 4.228 0.000) 4.228 20.791 ( 0.000 1.496 0.000) 1.496 20.969 ( 0.000 -2.944 0.000) 2.944 ======================= Grid point 19 (12/90) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 10.942 17.403 0.000) 20.557 1.136 ( 8.593 21.327 0.000) 22.993 1.699 ( -0.346 31.811 0.000) 31.813 1.886 ( -7.906 -1.931 0.000) 8.139 1.926 ( -0.624 14.757 0.000) 14.771 1.974 ( 2.366 25.487 0.000) 25.596 2.028 ( 5.182 -0.935 0.000) 5.266 2.188 ( 3.211 -3.066 0.000) 4.439 2.524 ( 2.791 -8.272 0.000) 8.730 2.600 ( 17.173 0.062 0.000) 17.173 3.124 ( 2.653 5.304 0.000) 5.930 3.171 ( 13.069 15.114 0.000) 19.981 3.378 ( 1.512 -1.719 0.000) 2.290 3.529 ( 8.286 1.654 0.000) 8.449 3.784 ( -0.418 2.791 0.000) 2.822 3.794 ( 11.556 10.400 0.000) 15.547 4.084 ( -7.696 2.415 0.000) 8.066 4.419 ( 5.750 17.777 0.000) 18.683 5.004 ( 11.081 -6.011 0.000) 12.606 5.206 ( -5.349 -0.657 0.000) 5.389 5.422 ( -9.349 -14.659 0.000) 17.387 5.700 ( -6.073 11.559 0.000) 13.058 5.932 ( 8.765 -14.651 0.000) 17.072 6.324 ( -8.934 2.812 0.000) 9.366 6.452 ( 19.597 1.170 0.000) 19.632 6.516 ( -9.298 7.961 0.000) 12.240 6.783 ( -3.555 -11.081 0.000) 11.637 7.076 ( -9.544 9.879 0.000) 13.736 7.211 ( -4.906 2.334 0.000) 5.433 7.380 ( -6.808 -0.009 0.000) 6.808 7.430 ( 10.355 0.975 0.000) 10.401 7.872 ( -1.737 0.417 0.000) 1.786 8.024 ( 2.741 -10.633 0.000) 10.980 8.231 ( -5.257 4.419 0.000) 6.868 8.755 ( -0.795 4.818 0.000) 4.883 9.582 ( -24.635 -8.396 0.000) 26.026 10.690 ( 0.947 6.595 0.000) 6.663 10.717 ( 2.668 -27.288 0.000) 27.418 10.880 ( 6.239 6.511 0.000) 9.018 11.313 ( 44.706 -11.983 0.000) 46.284 11.413 ( -4.588 -5.720 0.000) 7.333 12.436 ( -1.037 0.228 0.000) 1.062 12.730 ( -6.035 8.016 0.000) 10.034 12.900 ( -12.645 -1.386 0.000) 12.721 13.471 ( -2.264 -3.161 0.000) 3.889 14.187 ( 25.516 -11.906 0.000) 28.157 15.091 ( 0.026 -7.841 0.000) 7.841 16.062 ( -12.700 -3.349 0.000) 13.134 17.298 ( 2.938 -8.240 0.000) 8.748 17.442 ( 1.380 4.859 0.000) 5.051 18.062 ( -7.343 4.143 0.000) 8.431 18.088 ( -12.630 -0.113 0.000) 12.631 18.849 ( -3.150 -11.934 0.000) 12.343 19.061 ( -8.230 21.885 0.000) 23.382 19.110 ( 9.758 -9.341 0.000) 13.508 19.914 ( 7.466 1.015 0.000) 7.535 20.050 ( 6.178 -2.451 0.000) 6.647 20.647 ( -9.194 4.084 0.000) 10.060 20.672 ( 0.884 4.292 0.000) 4.382 20.973 ( -1.274 -1.666 0.000) 2.097 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 12.499 15.756 0.000) 20.111 1.367 ( 13.259 11.354 0.000) 17.456 1.707 ( -2.913 17.182 0.000) 17.427 1.709 ( -8.793 0.425 0.000) 8.803 1.831 ( -0.950 13.601 0.000) 13.634 2.100 ( 6.922 19.196 0.000) 20.406 2.136 ( 4.158 -2.903 0.000) 5.072 2.263 ( 4.287 -5.243 0.000) 6.773 2.634 ( 7.711 -9.900 0.000) 12.549 3.010 ( 19.975 -0.875 0.000) 19.995 3.189 ( 4.375 -3.057 0.000) 5.337 3.432 ( 9.956 11.161 0.000) 14.956 3.460 ( 7.048 -7.448 0.000) 10.254 3.607 ( 3.182 -0.189 0.000) 3.188 3.609 ( -12.881 2.656 0.000) 13.152 4.116 ( 7.911 2.747 0.000) 8.375 4.193 ( 23.072 10.410 0.000) 25.311 4.580 ( 8.745 6.350 0.000) 10.807 5.076 ( -6.197 -3.878 0.000) 7.310 5.145 ( 0.061 -8.709 0.000) 8.709 5.214 ( -8.476 -6.725 0.000) 10.820 5.666 ( 0.876 8.234 0.000) 8.280 6.017 ( -8.302 -3.026 0.000) 8.836 6.194 ( -17.159 11.692 0.000) 20.763 6.265 ( 10.976 -13.175 0.000) 17.148 6.641 ( -8.315 -11.035 0.000) 13.818 6.834 ( -11.954 10.605 0.000) 15.981 6.914 ( 16.575 -0.590 0.000) 16.585 7.087 ( -2.652 3.802 0.000) 4.636 7.294 ( -2.742 3.228 0.000) 4.235 7.601 ( 2.066 -2.098 0.000) 2.945 7.827 ( -2.700 5.720 0.000) 6.326 8.061 ( -0.271 -9.951 0.000) 9.955 8.111 ( -3.966 3.687 0.000) 5.416 8.740 ( -0.266 5.357 0.000) 5.364 9.199 ( -11.995 0.907 0.000) 12.029 10.654 ( -2.433 2.847 0.000) 3.745 10.785 ( 3.478 -22.210 0.000) 22.481 10.982 ( 2.271 -1.538 0.000) 2.743 11.281 ( -8.056 -5.717 0.000) 9.878 12.269 ( 46.363 -16.347 0.000) 49.161 12.423 ( 0.218 1.119 0.000) 1.140 12.593 ( -6.065 5.222 0.000) 8.003 12.733 ( -4.300 -4.032 0.000) 5.895 13.377 ( -6.734 -0.779 0.000) 6.779 14.610 ( 14.804 -14.119 0.000) 20.457 15.076 ( -1.822 -8.413 0.000) 8.608 15.728 ( -18.923 -6.500 0.000) 20.008 17.341 ( -0.150 -5.185 0.000) 5.187 17.454 ( -0.874 5.061 0.000) 5.136 17.872 ( -5.544 -2.642 0.000) 6.142 17.912 ( -5.752 8.464 0.000) 10.233 18.785 ( -3.414 -13.471 0.000) 13.897 18.895 ( -8.181 17.986 0.000) 19.759 19.317 ( 9.880 -6.821 0.000) 12.005 19.964 ( -2.710 4.161 0.000) 4.966 20.205 ( 8.137 -4.057 0.000) 9.092 20.545 ( -0.353 4.675 0.000) 4.688 20.698 ( 1.552 4.230 0.000) 4.506 20.916 ( -3.705 -1.786 0.000) 4.112 ======================= Grid point 21 (14/90) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -2.964 4.101 0.000) 5.060 1.551 ( -6.113 0.957 0.000) 6.187 1.611 ( 10.970 8.780 0.000) 14.051 1.644 ( 6.690 7.761 0.000) 10.246 1.911 ( 5.367 10.477 0.000) 11.772 2.171 ( -0.825 -3.557 0.000) 3.652 2.249 ( 7.027 10.686 0.000) 12.790 2.349 ( 3.463 -0.965 0.000) 3.595 2.787 ( 6.593 -10.220 0.000) 12.162 3.223 ( -5.227 -0.696 0.000) 5.273 3.334 ( 9.808 -5.201 0.000) 11.101 3.456 ( 4.488 2.283 0.000) 5.036 3.564 ( 5.422 7.767 0.000) 9.472 3.713 ( 16.238 -11.023 0.000) 19.626 3.761 ( 11.353 -0.154 0.000) 11.354 4.252 ( 3.418 -3.195 0.000) 4.679 4.594 ( 12.792 2.893 0.000) 13.115 4.678 ( -4.994 -10.839 0.000) 11.935 4.953 ( -6.646 -5.656 0.000) 8.727 5.008 ( -5.134 -9.018 0.000) 10.377 5.186 ( 4.626 6.530 0.000) 8.002 5.726 ( 5.390 8.758 0.000) 10.284 5.783 ( -11.518 -1.982 0.000) 11.687 5.864 ( -12.847 3.002 0.000) 13.193 6.412 ( -13.406 -9.647 0.000) 16.516 6.540 ( 8.869 -16.173 0.000) 18.445 6.667 ( -0.579 10.935 0.000) 10.951 6.954 ( -1.084 7.184 0.000) 7.265 7.149 ( -4.988 4.212 0.000) 6.528 7.431 ( 17.985 -3.098 0.000) 18.250 7.494 ( -11.554 2.823 0.000) 11.894 7.697 ( -6.581 8.602 0.000) 10.830 7.992 ( -6.178 -8.539 0.000) 10.539 8.121 ( 0.860 -5.593 0.000) 5.658 8.772 ( 4.068 7.850 0.000) 8.841 9.064 ( -2.886 7.904 0.000) 8.414 10.631 ( 0.725 -1.824 0.000) 1.963 10.839 ( 1.348 -14.278 0.000) 14.341 10.982 ( -1.488 -4.116 0.000) 4.376 11.100 ( -8.984 -6.566 0.000) 11.128 12.456 ( 2.719 1.391 0.000) 3.054 12.534 ( 1.495 2.258 0.000) 2.708 12.662 ( -2.352 -3.976 0.000) 4.620 13.121 ( 11.962 -8.754 0.000) 14.823 13.265 ( 18.924 -6.124 0.000) 19.890 14.822 ( 6.991 -12.003 0.000) 13.890 14.991 ( -8.014 -10.105 0.000) 12.897 15.324 ( -18.990 -8.080 0.000) 20.637 17.287 ( -3.591 -0.518 0.000) 3.628 17.391 ( -4.855 3.381 0.000) 5.916 17.866 ( 1.221 13.585 0.000) 13.640 17.878 ( 4.045 -3.605 0.000) 5.419 18.703 ( -4.492 -15.368 0.000) 16.011 18.726 ( -7.865 9.387 0.000) 12.246 19.502 ( 7.998 -3.861 0.000) 8.881 19.867 ( -5.427 3.769 0.000) 6.608 20.361 ( 6.793 -4.345 0.000) 8.064 20.567 ( 0.926 4.482 0.000) 4.577 20.733 ( 1.831 3.346 0.000) 3.814 20.842 ( -3.096 -3.081 0.000) 4.368 ======================= Grid point 22 (15/90) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -2.060 1.112 0.000) 2.341 1.468 ( -2.191 1.863 0.000) 2.876 1.780 ( 4.835 2.169 0.000) 5.299 1.787 ( 4.234 1.403 0.000) 4.460 2.012 ( 4.774 4.079 0.000) 6.279 2.112 ( -4.480 -0.578 0.000) 4.517 2.358 ( 3.329 8.221 0.000) 8.869 2.388 ( 0.260 4.087 0.000) 4.095 2.912 ( 5.821 -6.514 0.000) 8.736 3.048 ( -8.069 -1.228 0.000) 8.162 3.533 ( 6.785 -2.972 0.000) 7.407 3.565 ( 2.960 -0.518 0.000) 3.005 3.746 ( 13.609 -1.149 0.000) 13.658 3.982 ( 1.149 -3.907 0.000) 4.073 4.027 ( 13.486 -0.015 0.000) 13.486 4.226 ( -4.449 -7.928 0.000) 9.091 4.467 ( -5.349 -17.349 0.000) 18.155 4.624 ( -10.408 -12.685 0.000) 16.408 4.845 ( -0.284 -1.387 0.000) 1.415 4.898 ( -4.723 0.966 0.000) 4.821 5.473 ( 17.257 -1.854 0.000) 17.356 5.611 ( -6.989 3.358 0.000) 7.754 5.614 ( -1.950 -7.500 0.000) 7.749 5.856 ( -8.257 -14.657 0.000) 16.823 6.252 ( 7.179 12.245 0.000) 14.194 6.491 ( -8.508 11.002 0.000) 13.908 6.830 ( 8.224 -2.577 0.000) 8.618 6.954 ( -2.209 9.505 0.000) 9.758 7.046 ( -0.388 -0.356 0.000) 0.527 7.199 ( -13.418 2.904 0.000) 13.728 7.677 ( 4.243 3.106 0.000) 5.258 7.772 ( 10.464 -8.900 0.000) 13.738 7.843 ( -3.892 -1.835 0.000) 4.303 8.041 ( -8.615 -7.650 0.000) 11.521 8.896 ( 6.781 8.808 0.000) 11.116 9.008 ( -3.760 9.408 0.000) 10.132 10.692 ( 5.091 -3.290 0.000) 6.062 10.811 ( -4.827 -4.485 0.000) 6.589 10.950 ( -1.084 -7.050 0.000) 7.133 10.960 ( -3.160 -10.035 0.000) 10.521 12.520 ( 3.787 -0.915 0.000) 3.896 12.601 ( -3.655 -2.573 0.000) 4.470 12.667 ( 10.484 2.072 0.000) 10.686 12.920 ( -13.143 1.459 0.000) 13.223 14.005 ( 35.039 -13.802 0.000) 37.659 14.638 ( -25.996 -12.428 0.000) 28.814 14.939 ( 5.191 -10.176 0.000) 11.423 15.059 ( -7.341 -8.645 0.000) 11.342 17.245 ( 0.045 1.044 0.000) 1.045 17.291 ( -4.113 2.135 0.000) 4.635 17.926 ( 3.309 14.496 0.000) 14.869 17.951 ( 1.606 6.081 0.000) 6.290 18.605 ( -2.945 -4.573 0.000) 5.439 18.616 ( -3.314 -14.718 0.000) 15.087 19.645 ( 6.072 -0.958 0.000) 6.147 19.758 ( -5.217 1.667 0.000) 5.476 20.479 ( 4.694 -2.250 0.000) 5.206 20.553 ( -2.374 1.723 0.000) 2.933 20.769 ( 1.525 1.119 0.000) 1.892 20.797 ( -1.477 -1.887 0.000) 2.396 ======================= Grid point 27 (16/90) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 9.983 0.000) 9.983 1.445 ( 0.000 17.580 0.000) 17.580 1.743 ( 0.000 -11.941 0.000) 11.941 1.960 ( 0.000 -0.787 0.000) 0.787 2.078 ( 0.000 4.860 0.000) 4.860 2.132 ( 0.000 4.811 0.000) 4.811 2.257 ( 0.000 -9.727 0.000) 9.727 2.453 ( 0.000 17.969 0.000) 17.969 2.527 ( 0.000 10.770 0.000) 10.770 2.595 ( 0.000 34.387 0.000) 34.387 3.094 ( 0.000 1.717 0.000) 1.717 3.375 ( 0.000 -0.929 0.000) 0.929 3.390 ( 0.000 2.346 0.000) 2.346 3.666 ( 0.000 17.657 0.000) 17.657 3.720 ( 0.000 -5.528 0.000) 5.528 3.966 ( 0.000 24.336 0.000) 24.336 4.115 ( 0.000 -11.902 0.000) 11.902 4.774 ( 0.000 -1.036 0.000) 1.036 4.827 ( 0.000 22.379 0.000) 22.379 5.336 ( 0.000 -8.512 0.000) 8.512 5.345 ( 0.000 5.919 0.000) 5.919 5.542 ( 0.000 -9.385 0.000) 9.385 5.947 ( 0.000 -9.446 0.000) 9.446 6.240 ( 0.000 16.183 0.000) 16.183 6.545 ( 0.000 6.290 0.000) 6.290 6.561 ( 0.000 -11.874 0.000) 11.874 6.718 ( 0.000 3.925 0.000) 3.925 7.187 ( 0.000 0.942 0.000) 0.942 7.314 ( 0.000 2.846 0.000) 2.846 7.373 ( 0.000 -5.065 0.000) 5.065 7.564 ( 0.000 12.780 0.000) 12.780 7.742 ( 0.000 -14.180 0.000) 14.180 7.800 ( 0.000 -5.906 0.000) 5.906 8.335 ( 0.000 1.226 0.000) 1.226 8.848 ( 0.000 3.264 0.000) 3.264 9.517 ( 0.000 -27.131 0.000) 27.131 10.133 ( 0.000 -26.351 0.000) 26.351 10.749 ( 0.000 11.315 0.000) 11.315 10.878 ( 0.000 7.662 0.000) 7.662 11.115 ( 0.000 14.626 0.000) 14.626 11.370 ( 0.000 -3.495 0.000) 3.495 12.442 ( 0.000 -0.588 0.000) 0.588 12.959 ( 0.000 7.353 0.000) 7.353 13.150 ( 0.000 0.347 0.000) 0.347 13.320 ( 0.000 -7.989 0.000) 7.989 13.723 ( 0.000 -4.443 0.000) 4.443 14.934 ( 0.000 -7.685 0.000) 7.685 16.155 ( 0.000 -3.333 0.000) 3.333 17.139 ( 0.000 -4.709 0.000) 4.709 17.515 ( 0.000 5.302 0.000) 5.302 18.197 ( 0.000 2.096 0.000) 2.096 18.230 ( 0.000 -0.920 0.000) 0.920 18.686 ( 0.000 -12.113 0.000) 12.113 18.775 ( 0.000 -8.137 0.000) 8.137 19.583 ( 0.000 18.363 0.000) 18.363 19.762 ( 0.000 -1.097 0.000) 1.097 19.938 ( 0.000 -2.687 0.000) 2.687 20.737 ( 0.000 3.233 0.000) 3.233 20.820 ( 0.000 1.374 0.000) 1.374 20.901 ( 0.000 -4.009 0.000) 4.009 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.11 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 10.342 11.203 0.000) 15.247 1.489 ( 3.898 13.832 0.000) 14.371 1.761 ( 0.950 -7.174 0.000) 7.237 2.011 ( 4.073 -1.223 0.000) 4.252 2.061 ( -4.995 5.811 0.000) 7.662 2.103 ( 0.122 4.713 0.000) 4.714 2.143 ( -5.045 -3.969 0.000) 6.419 2.452 ( -3.203 15.755 0.000) 16.078 2.613 ( -0.963 23.809 0.000) 23.828 2.668 ( 15.762 8.318 0.000) 17.822 3.108 ( 0.676 -0.459 0.000) 0.817 3.336 ( -1.890 -2.011 0.000) 2.760 3.423 ( 3.838 3.276 0.000) 5.046 3.676 ( 0.084 9.883 0.000) 9.883 3.779 ( 1.180 -3.896 0.000) 4.071 4.037 ( -3.758 -7.369 0.000) 8.272 4.112 ( 13.742 23.357 0.000) 27.100 4.758 ( -5.760 11.709 0.000) 13.049 4.850 ( 4.981 -5.999 0.000) 7.797 5.220 ( -9.611 2.336 0.000) 9.891 5.261 ( -3.420 -1.521 0.000) 3.743 5.669 ( 8.527 -11.281 0.000) 14.141 5.861 ( -4.828 3.216 0.000) 5.801 6.406 ( -11.015 5.218 0.000) 12.188 6.484 ( 8.091 -9.899 0.000) 12.785 6.535 ( 5.671 2.323 0.000) 6.128 6.668 ( -5.227 5.189 0.000) 7.365 7.223 ( -2.739 5.125 0.000) 5.811 7.257 ( -4.818 2.202 0.000) 5.297 7.358 ( -1.087 -1.574 0.000) 1.913 7.490 ( -0.456 4.633 0.000) 4.655 7.789 ( 3.954 -13.033 0.000) 13.619 7.862 ( 3.449 -1.015 0.000) 3.596 8.287 ( -4.714 1.340 0.000) 4.901 8.845 ( -0.178 3.977 0.000) 3.981 9.335 ( -12.217 -15.667 0.000) 19.867 10.205 ( 6.648 -23.811 0.000) 24.722 10.854 ( -0.524 9.332 0.000) 9.347 11.042 ( -4.608 8.358 0.000) 9.544 11.188 ( 32.919 -1.271 0.000) 32.944 11.321 ( -4.710 -3.656 0.000) 5.963 12.435 ( -0.451 -0.308 0.000) 0.547 12.868 ( -8.105 6.089 0.000) 10.137 12.911 ( -12.341 2.363 0.000) 12.565 13.398 ( 0.655 -4.242 0.000) 4.293 13.965 ( 18.392 -11.161 0.000) 21.513 14.938 ( 0.103 -7.400 0.000) 7.401 15.978 ( -15.673 -5.055 0.000) 16.468 17.173 ( 3.248 -4.643 0.000) 5.666 17.550 ( 2.310 6.010 0.000) 6.438 18.077 ( -12.732 -0.848 0.000) 12.760 18.147 ( -3.879 4.420 0.000) 5.881 18.625 ( -3.676 -10.712 0.000) 11.325 18.910 ( 10.001 -10.540 0.000) 14.529 19.439 ( -8.417 15.939 0.000) 18.025 19.948 ( 10.012 3.130 0.000) 10.490 19.996 ( 5.268 -2.951 0.000) 6.039 20.664 ( -9.346 -1.734 0.000) 9.505 20.747 ( 0.907 3.252 0.000) 3.376 20.943 ( 0.071 -1.226 0.000) 1.228 ======================= Grid point 29 (18/90) ======================= q-point: ( 0.22 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 2.955 3.312 0.000) 4.438 1.601 ( 8.929 12.003 0.000) 14.960 1.743 ( -2.187 5.202 0.000) 5.643 1.903 ( -9.882 5.768 0.000) 11.442 2.040 ( 0.591 -6.273 0.000) 6.301 2.087 ( -1.820 8.215 0.000) 8.414 2.193 ( 7.453 -2.211 0.000) 7.775 2.461 ( 2.843 8.007 0.000) 8.497 2.576 ( -0.565 13.939 0.000) 13.951 3.026 ( 17.900 3.042 0.000) 18.157 3.129 ( 2.651 -1.982 0.000) 3.310 3.345 ( 3.117 -3.580 0.000) 4.747 3.540 ( 6.481 -2.663 0.000) 7.007 3.641 ( -11.167 -0.555 0.000) 11.180 3.676 ( 1.107 8.065 0.000) 8.140 4.078 ( 4.530 -6.632 0.000) 8.032 4.451 ( 16.614 15.291 0.000) 22.579 4.627 ( -6.470 -3.059 0.000) 7.156 4.892 ( -1.045 -6.593 0.000) 6.675 5.032 ( -8.413 -0.750 0.000) 8.447 5.265 ( 2.829 3.121 0.000) 4.213 5.752 ( -5.858 -0.641 0.000) 5.893 5.806 ( 2.857 -15.750 0.000) 16.007 6.189 ( -7.505 3.175 0.000) 8.149 6.341 ( -13.404 0.040 0.000) 13.404 6.479 ( -8.694 -0.333 0.000) 8.700 6.909 ( 16.758 -0.182 0.000) 16.759 7.046 ( -9.893 10.918 0.000) 14.734 7.158 ( -3.186 2.789 0.000) 4.235 7.332 ( -1.750 0.398 0.000) 1.794 7.560 ( 2.760 -2.369 0.000) 3.637 7.864 ( 2.428 -8.948 0.000) 9.272 7.912 ( 1.260 2.837 0.000) 3.104 8.144 ( -8.781 0.152 0.000) 8.783 8.851 ( 1.198 5.475 0.000) 5.605 9.169 ( -3.159 -3.662 0.000) 4.836 10.385 ( 10.222 -17.435 0.000) 20.211 10.733 ( -8.704 5.085 0.000) 10.080 10.997 ( -0.758 2.354 0.000) 2.473 11.184 ( -8.312 -4.085 0.000) 9.261 11.996 ( 42.624 -11.288 0.000) 44.093 12.437 ( 1.005 0.330 0.000) 1.058 12.677 ( -9.063 3.357 0.000) 9.664 12.732 ( -5.403 3.483 0.000) 6.428 13.358 ( -4.120 -0.938 0.000) 4.226 14.313 ( 14.146 -16.150 0.000) 21.469 14.920 ( -2.306 -7.143 0.000) 7.506 15.584 ( -21.481 -7.941 0.000) 22.902 17.258 ( 4.182 -3.237 0.000) 5.288 17.561 ( -1.971 5.739 0.000) 6.068 17.818 ( -10.091 -2.484 0.000) 10.392 18.091 ( -0.517 9.628 0.000) 9.642 18.539 ( -4.833 -11.476 0.000) 12.452 19.137 ( 11.408 -11.035 0.000) 15.872 19.255 ( -10.129 17.281 0.000) 20.031 20.020 ( -3.928 2.500 0.000) 4.657 20.133 ( 7.587 -3.276 0.000) 8.264 20.565 ( 0.977 -2.413 0.000) 2.603 20.770 ( 1.155 3.075 0.000) 3.285 20.892 ( -4.508 -0.624 0.000) 4.551 ======================= Grid point 30 (19/90) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -3.876 -0.735 0.000) 3.945 1.655 ( -8.122 6.876 0.000) 10.642 1.755 ( 3.045 5.319 0.000) 6.129 1.782 ( 3.486 6.802 0.000) 7.643 2.057 ( -0.631 4.208 0.000) 4.255 2.065 ( 1.006 -6.387 0.000) 6.466 2.343 ( 6.240 -0.372 0.000) 6.251 2.476 ( -0.696 7.554 0.000) 7.586 2.646 ( 6.525 -0.197 0.000) 6.528 3.237 ( -3.528 2.701 0.000) 4.443 3.252 ( 8.627 -2.999 0.000) 9.134 3.481 ( -0.654 -0.861 0.000) 1.081 3.526 ( 16.713 -7.710 0.000) 18.406 3.624 ( 2.485 -3.752 0.000) 4.500 3.807 ( 11.610 6.236 0.000) 13.179 4.121 ( -1.612 -10.178 0.000) 10.304 4.476 ( -8.653 -6.518 0.000) 10.834 4.677 ( 2.165 6.374 0.000) 6.732 4.852 ( -8.313 -4.821 0.000) 9.609 4.883 ( 1.133 -4.907 0.000) 5.036 5.292 ( -0.207 3.658 0.000) 3.664 5.640 ( -5.640 -13.095 0.000) 14.257 5.718 ( -9.425 -6.957 0.000) 11.714 6.002 ( -16.954 5.174 0.000) 17.726 6.210 ( 8.387 -13.180 0.000) 15.622 6.373 ( -0.316 7.525 0.000) 7.532 6.922 ( -1.425 13.387 0.000) 13.463 7.014 ( -2.703 -3.498 0.000) 4.421 7.218 ( -1.560 3.508 0.000) 3.839 7.368 ( 11.720 -3.124 0.000) 12.129 7.526 ( -7.043 0.171 0.000) 7.045 7.842 ( -8.048 5.693 0.000) 9.858 7.881 ( -0.430 -1.425 0.000) 1.489 8.014 ( -2.860 -5.047 0.000) 5.801 8.906 ( 4.182 5.420 0.000) 6.846 9.157 ( 0.041 1.148 0.000) 1.148 10.594 ( 9.605 -9.423 0.000) 13.456 10.599 ( -3.025 -1.258 0.000) 3.276 10.962 ( -2.810 2.224 0.000) 3.584 10.992 ( -10.064 -4.684 0.000) 11.100 12.473 ( 1.159 0.697 0.000) 1.353 12.568 ( 0.870 0.918 0.000) 1.265 12.627 ( -0.594 -0.364 0.000) 0.697 12.862 ( 31.519 -13.139 0.000) 34.148 13.259 ( -1.239 2.288 0.000) 2.602 14.543 ( 8.863 -15.979 0.000) 18.273 14.814 ( -9.772 -7.442 0.000) 12.283 15.141 ( -19.985 -10.221 0.000) 22.447 17.300 ( -0.323 1.645 0.000) 1.677 17.472 ( -5.957 4.588 0.000) 7.519 17.742 ( 3.175 -7.957 0.000) 8.567 18.124 ( 2.118 11.507 0.000) 11.700 18.443 ( -3.153 -9.932 0.000) 10.420 19.014 ( -13.152 17.103 0.000) 21.575 19.359 ( 10.065 -10.110 0.000) 14.266 19.873 ( -8.264 -2.401 0.000) 8.606 20.292 ( 7.641 -2.891 0.000) 8.170 20.628 ( 2.489 1.260 0.000) 2.790 20.786 ( -4.743 -2.272 0.000) 5.259 20.789 ( 0.555 2.309 0.000) 2.375 ======================= Grid point 31 (20/90) ======================= q-point: ( 0.44 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -1.442 0.996 0.000) 1.752 1.513 ( -4.178 2.783 0.000) 5.020 1.815 ( 2.229 1.323 0.000) 2.592 1.834 ( 0.666 3.554 0.000) 3.616 2.057 ( 0.446 0.048 0.000) 0.448 2.069 ( -0.442 -3.504 0.000) 3.532 2.431 ( 2.391 -0.388 0.000) 2.422 2.459 ( -0.865 0.477 0.000) 0.988 2.835 ( 11.165 0.807 0.000) 11.195 3.059 ( -10.336 2.855 0.000) 10.723 3.426 ( 7.270 -6.813 0.000) 9.964 3.504 ( -0.093 -6.469 0.000) 6.470 3.708 ( 6.582 -4.926 0.000) 8.221 3.861 ( 2.492 -8.102 0.000) 8.477 4.044 ( 7.089 -11.330 0.000) 13.365 4.083 ( 13.526 5.403 0.000) 14.566 4.307 ( -8.125 3.061 0.000) 8.683 4.429 ( -19.980 -5.491 0.000) 20.720 4.832 ( 2.699 -1.607 0.000) 3.141 4.889 ( -1.706 -3.574 0.000) 3.960 5.333 ( 4.685 -7.377 0.000) 8.739 5.472 ( -9.251 -15.228 0.000) 17.818 5.568 ( -1.310 -0.772 0.000) 1.520 5.706 ( -11.891 0.194 0.000) 11.892 6.414 ( 8.882 -14.213 0.000) 16.761 6.465 ( 4.979 5.756 0.000) 7.610 6.965 ( 4.196 13.095 0.000) 13.751 6.985 ( 1.732 -3.394 0.000) 3.811 7.128 ( -3.980 8.033 0.000) 8.965 7.266 ( -15.483 3.770 0.000) 15.935 7.616 ( 9.410 -7.080 0.000) 11.776 7.727 ( -3.251 -0.544 0.000) 3.296 7.872 ( 0.720 4.629 0.000) 4.685 7.940 ( -4.692 -1.140 0.000) 4.828 9.013 ( 5.801 3.009 0.000) 6.535 9.119 ( -3.927 1.594 0.000) 4.238 10.625 ( 5.162 -3.757 0.000) 6.385 10.752 ( 2.033 -0.830 0.000) 2.196 10.799 ( -4.605 -6.385 0.000) 7.873 10.885 ( -4.626 1.182 0.000) 4.775 12.497 ( 2.547 -1.142 0.000) 2.792 12.568 ( -3.713 -0.811 0.000) 3.800 12.705 ( 10.221 1.309 0.000) 10.305 12.934 ( -10.805 -0.370 0.000) 10.811 13.761 ( 35.029 -10.116 0.000) 36.460 14.417 ( -27.745 -9.566 0.000) 29.348 14.704 ( 7.337 -13.357 0.000) 15.240 14.861 ( -8.677 -11.087 0.000) 14.079 17.294 ( 0.890 3.600 0.000) 3.709 17.354 ( -4.815 4.001 0.000) 6.260 17.889 ( 9.415 -8.917 0.000) 12.967 18.074 ( -7.288 -2.697 0.000) 7.771 18.499 ( 8.705 6.063 0.000) 10.608 18.737 ( -13.312 14.158 0.000) 19.434 19.547 ( 8.367 -8.372 0.000) 11.837 19.710 ( -7.720 -5.951 0.000) 9.747 20.443 ( 7.166 -1.479 0.000) 7.317 20.582 ( -5.989 1.025 0.000) 6.076 20.763 ( 1.477 -1.558 0.000) 2.147 20.788 ( -0.675 0.835 0.000) 1.073 ======================= Grid point 36 (21/90) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 1.982 0.000) 1.982 1.583 ( 0.000 -3.850 0.000) 3.850 1.719 ( 0.000 10.661 0.000) 10.661 1.934 ( 0.000 -2.061 0.000) 2.061 2.054 ( 0.000 -10.140 0.000) 10.140 2.096 ( 0.000 0.122 0.000) 0.122 2.198 ( 0.000 2.155 0.000) 2.155 2.774 ( 0.000 10.910 0.000) 10.910 2.823 ( 0.000 19.788 0.000) 19.788 3.096 ( 0.000 -0.147 0.000) 0.147 3.164 ( 0.000 23.856 0.000) 23.856 3.340 ( 0.000 -2.634 0.000) 2.634 3.435 ( 0.000 1.137 0.000) 1.137 3.579 ( 0.000 -7.346 0.000) 7.346 3.769 ( 0.000 -2.006 0.000) 2.006 3.816 ( 0.000 -17.425 0.000) 17.425 4.570 ( 0.000 31.343 0.000) 31.343 4.795 ( 0.000 2.454 0.000) 2.454 5.108 ( 0.000 6.217 0.000) 6.217 5.203 ( 0.000 -5.280 0.000) 5.280 5.492 ( 0.000 3.064 0.000) 3.064 5.509 ( 0.000 11.280 0.000) 11.280 5.702 ( 0.000 -15.940 0.000) 15.940 6.132 ( 0.000 -17.950 0.000) 17.950 6.670 ( 0.000 6.032 0.000) 6.032 6.708 ( 0.000 16.349 0.000) 16.349 6.811 ( 0.000 6.000 0.000) 6.000 7.211 ( 0.000 1.377 0.000) 1.377 7.309 ( 0.000 -1.723 0.000) 1.723 7.366 ( 0.000 2.366 0.000) 2.366 7.462 ( 0.000 -13.753 0.000) 13.753 7.670 ( 0.000 -6.746 0.000) 6.746 7.784 ( 0.000 9.098 0.000) 9.098 8.342 ( 0.000 -0.242 0.000) 0.242 8.885 ( 0.000 0.696 0.000) 0.696 9.031 ( 0.000 -20.998 0.000) 20.998 9.723 ( 0.000 -14.920 0.000) 14.920 10.945 ( 0.000 7.930 0.000) 7.930 11.008 ( 0.000 5.142 0.000) 5.142 11.326 ( 0.000 -1.207 0.000) 1.207 11.364 ( 0.000 10.064 0.000) 10.064 12.428 ( 0.000 -0.649 0.000) 0.649 13.075 ( 0.000 4.358 0.000) 4.358 13.159 ( 0.000 0.420 0.000) 0.420 13.173 ( 0.000 -6.382 0.000) 6.382 13.645 ( 0.000 -3.209 0.000) 3.209 14.809 ( 0.000 -4.716 0.000) 4.716 16.087 ( 0.000 -3.116 0.000) 3.116 17.075 ( 0.000 -2.009 0.000) 2.009 17.617 ( 0.000 4.705 0.000) 4.705 18.212 ( 0.000 -0.790 0.000) 0.790 18.224 ( 0.000 0.489 0.000) 0.489 18.484 ( 0.000 -7.862 0.000) 7.862 18.651 ( 0.000 -4.426 0.000) 4.426 19.745 ( 0.000 -0.626 0.000) 0.626 19.873 ( 0.000 11.029 0.000) 11.029 19.890 ( 0.000 -1.991 0.000) 1.991 20.785 ( 0.000 1.650 0.000) 1.650 20.823 ( 0.000 -3.609 0.000) 3.609 20.841 ( 0.000 0.796 0.000) 0.796 ======================= Grid point 37 (22/90) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 13.049 3.339 0.000) 13.470 1.572 ( -0.561 -1.595 0.000) 1.691 1.788 ( 5.115 7.332 0.000) 8.939 1.965 ( 0.487 -4.537 0.000) 4.563 2.028 ( 0.602 -5.653 0.000) 5.685 2.114 ( -4.465 0.859 0.000) 4.547 2.134 ( 0.429 1.169 0.000) 1.245 2.707 ( -6.734 9.996 0.000) 12.053 2.913 ( 8.157 15.392 0.000) 17.420 3.082 ( -2.939 12.151 0.000) 12.502 3.135 ( -1.612 11.387 0.000) 11.500 3.317 ( -0.489 0.216 0.000) 0.535 3.431 ( -0.044 -1.429 0.000) 1.429 3.648 ( 2.529 -8.039 0.000) 8.427 3.755 ( -0.982 -1.416 0.000) 1.723 3.803 ( 0.437 -15.420 0.000) 15.427 4.601 ( 4.015 23.389 0.000) 23.731 4.748 ( -5.664 -0.689 0.000) 5.706 4.909 ( -7.989 1.446 0.000) 8.119 5.294 ( -12.223 4.599 0.000) 13.060 5.323 ( 0.900 5.065 0.000) 5.144 5.507 ( 2.698 -5.459 0.000) 6.090 5.816 ( -1.204 -6.218 0.000) 6.334 6.206 ( 8.498 -13.691 0.000) 16.114 6.513 ( -11.674 5.118 0.000) 12.746 6.658 ( -4.525 7.346 0.000) 8.628 6.826 ( 1.415 8.239 0.000) 8.360 7.263 ( -4.752 -2.322 0.000) 5.289 7.290 ( 3.468 2.165 0.000) 4.089 7.336 ( -1.116 -0.687 0.000) 1.311 7.542 ( -6.978 -0.381 0.000) 6.988 7.564 ( 8.468 -8.318 0.000) 11.870 7.872 ( 4.575 2.462 0.000) 5.195 8.293 ( -4.847 -0.325 0.000) 4.858 8.899 ( 1.305 1.612 0.000) 2.074 9.039 ( 1.193 -13.030 0.000) 13.084 9.843 ( 11.152 -12.707 0.000) 16.907 11.004 ( -0.493 5.307 0.000) 5.330 11.154 ( 2.818 3.807 0.000) 4.736 11.246 ( 6.700 4.842 0.000) 8.267 11.273 ( -5.072 -1.392 0.000) 5.260 12.426 ( -0.087 -0.503 0.000) 0.510 12.961 ( -10.109 3.353 0.000) 10.650 12.985 ( -7.895 4.827 0.000) 9.254 13.313 ( 4.380 -4.316 0.000) 6.149 13.767 ( 10.658 -8.484 0.000) 13.622 14.821 ( 0.700 -4.289 0.000) 4.345 15.884 ( -17.825 -4.067 0.000) 18.283 17.112 ( 3.534 -1.887 0.000) 4.006 17.662 ( 2.709 5.048 0.000) 5.729 18.060 ( -12.838 -0.767 0.000) 12.861 18.225 ( 0.606 3.333 0.000) 3.387 18.447 ( -3.373 -7.138 0.000) 7.895 18.729 ( 7.181 -7.394 0.000) 10.307 19.647 ( -5.541 5.651 0.000) 7.914 19.946 ( 5.106 -2.011 0.000) 5.488 20.051 ( 10.736 6.938 0.000) 12.782 20.599 ( -12.942 -4.342 0.000) 13.651 20.795 ( 0.895 1.659 0.000) 1.885 20.928 ( 0.984 -0.422 0.000) 1.071 ======================= Grid point 38 (23/90) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -0.697 -1.128 0.000) 1.326 1.794 ( 10.554 7.086 0.000) 12.712 1.844 ( -2.209 1.266 0.000) 2.546 1.929 ( 1.201 -3.078 0.000) 3.304 1.975 ( -7.723 1.443 0.000) 7.857 2.154 ( -0.765 1.894 0.000) 2.043 2.159 ( 8.956 -1.475 0.000) 9.076 2.528 ( -8.816 2.133 0.000) 9.071 2.961 ( -7.356 18.169 0.000) 19.602 3.131 ( 12.705 6.971 0.000) 14.491 3.140 ( 2.337 3.288 0.000) 4.034 3.341 ( 2.177 3.440 0.000) 4.071 3.450 ( 2.120 -5.829 0.000) 6.202 3.571 ( -8.076 -5.508 0.000) 9.776 3.758 ( 2.239 -0.063 0.000) 2.240 3.869 ( 3.149 -14.213 0.000) 14.558 4.581 ( -7.467 1.407 0.000) 7.598 4.744 ( 8.659 13.341 0.000) 15.905 4.851 ( -0.628 -0.688 0.000) 0.932 5.043 ( -12.982 1.563 0.000) 13.075 5.273 ( -1.948 -3.030 0.000) 3.602 5.544 ( -0.979 -9.035 0.000) 9.088 5.641 ( -13.256 -8.736 0.000) 15.876 6.281 ( -10.473 4.894 0.000) 11.561 6.318 ( -3.261 1.446 0.000) 3.567 6.551 ( -2.873 3.733 0.000) 4.711 6.879 ( 2.168 -4.697 0.000) 5.173 7.173 ( -1.041 0.220 0.000) 1.063 7.242 ( -5.742 8.911 0.000) 10.601 7.320 ( -0.697 -1.182 0.000) 1.372 7.496 ( 0.930 -4.386 0.000) 4.484 7.764 ( 9.834 -1.340 0.000) 9.925 7.941 ( 2.255 0.460 0.000) 2.302 8.137 ( -10.452 -0.459 0.000) 10.462 8.933 ( 1.885 2.738 0.000) 3.324 9.087 ( 3.003 -3.898 0.000) 4.921 10.141 ( 16.791 -7.604 0.000) 18.432 10.826 ( -15.228 3.769 0.000) 15.687 11.045 ( -0.037 2.052 0.000) 2.052 11.126 ( -8.957 -1.928 0.000) 9.162 11.838 ( 35.966 -5.096 0.000) 36.326 12.438 ( 1.662 -0.134 0.000) 1.667 12.722 ( -11.531 1.400 0.000) 11.616 12.839 ( -6.546 6.300 0.000) 9.085 13.353 ( -0.202 0.677 0.000) 0.706 14.010 ( 11.848 -13.999 0.000) 18.340 14.815 ( -1.845 -3.558 0.000) 4.008 15.443 ( -23.722 -5.865 0.000) 24.436 17.216 ( 6.363 -1.196 0.000) 6.474 17.664 ( -3.004 4.489 0.000) 5.402 17.779 ( -12.699 -1.446 0.000) 12.781 18.268 ( 2.371 7.101 0.000) 7.486 18.359 ( -3.492 -5.680 0.000) 6.668 18.920 ( 10.674 -10.351 0.000) 14.868 19.521 ( -7.339 9.475 0.000) 11.985 20.082 ( 7.708 -1.936 0.000) 7.947 20.082 ( -11.302 4.133 0.000) 12.034 20.477 ( 4.791 -5.732 0.000) 7.471 20.815 ( 0.831 1.550 0.000) 1.759 20.887 ( -4.513 -0.105 0.000) 4.515 ======================= Grid point 39 (24/90) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -1.969 -0.612 0.000) 2.062 1.770 ( -11.302 3.998 0.000) 11.988 1.785 ( -1.405 -2.665 0.000) 3.013 1.938 ( 3.347 9.369 0.000) 9.949 1.977 ( 2.228 -1.357 0.000) 2.608 2.094 ( -4.316 0.731 0.000) 4.378 2.323 ( 5.938 -1.416 0.000) 6.105 2.407 ( -3.185 -7.937 0.000) 8.552 2.850 ( -1.554 12.594 0.000) 12.689 3.229 ( 5.332 0.863 0.000) 5.401 3.342 ( -5.248 8.065 0.000) 9.622 3.390 ( 0.126 -5.198 0.000) 5.199 3.448 ( 11.898 -2.255 0.000) 12.110 3.502 ( 2.433 -7.467 0.000) 7.853 3.863 ( -4.090 -15.395 0.000) 15.929 3.894 ( 11.540 1.683 0.000) 11.662 4.492 ( -1.649 5.916 0.000) 6.141 4.744 ( -15.810 -4.567 0.000) 16.456 4.823 ( -1.452 0.635 0.000) 1.585 4.868 ( 0.602 11.238 0.000) 11.254 5.297 ( 1.961 -6.800 0.000) 7.077 5.366 ( -10.741 -13.263 0.000) 17.067 5.483 ( -3.073 -11.312 0.000) 11.722 6.067 ( -16.948 3.413 0.000) 17.288 6.101 ( -5.389 -0.247 0.000) 5.395 6.556 ( -1.656 5.655 0.000) 5.893 6.861 ( 0.678 -7.334 0.000) 7.365 7.170 ( -0.607 11.719 0.000) 11.735 7.277 ( 5.238 1.677 0.000) 5.500 7.314 ( 3.267 -1.984 0.000) 3.823 7.493 ( -2.409 -3.712 0.000) 4.425 7.877 ( -13.783 -2.108 0.000) 13.943 7.924 ( 5.245 4.088 0.000) 6.649 7.971 ( 0.693 1.104 0.000) 1.303 8.974 ( 2.169 1.813 0.000) 2.827 9.127 ( 0.218 -3.034 0.000) 3.042 10.489 ( 16.202 -2.091 0.000) 16.336 10.585 ( -6.825 -0.323 0.000) 6.833 10.920 ( -10.751 -2.686 0.000) 11.082 11.038 ( -1.488 4.289 0.000) 4.540 12.492 ( 0.736 1.372 0.000) 1.557 12.563 ( -0.003 -1.311 0.000) 1.311 12.568 ( 26.990 -6.147 0.000) 27.681 12.728 ( 0.053 -0.336 0.000) 0.340 13.327 ( 0.014 4.363 0.000) 4.363 14.241 ( 10.866 -13.740 0.000) 17.517 14.721 ( -9.161 -2.037 0.000) 9.384 14.951 ( -22.585 -8.651 0.000) 24.185 17.344 ( 4.536 2.665 0.000) 5.261 17.557 ( -6.496 3.875 0.000) 7.564 17.605 ( -2.300 -5.828 0.000) 6.266 18.159 ( -9.483 -5.696 0.000) 11.062 18.470 ( 10.562 10.243 0.000) 14.713 19.142 ( 10.621 -11.276 0.000) 15.490 19.325 ( -12.171 14.038 0.000) 18.580 19.791 ( -13.750 -5.686 0.000) 14.879 20.248 ( 8.351 -1.559 0.000) 8.495 20.620 ( 6.502 -1.339 0.000) 6.638 20.762 ( -7.097 -0.425 0.000) 7.109 20.822 ( -0.268 1.127 0.000) 1.159 ======================= Grid point 40 (25/90) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.137 0.922 0.000) 0.932 1.572 ( -6.764 3.030 0.000) 7.411 1.806 ( 3.366 -2.918 0.000) 4.455 1.906 ( -5.347 1.894 0.000) 5.672 2.017 ( 1.758 -0.451 0.000) 1.815 2.046 ( -0.856 1.536 0.000) 1.758 2.371 ( -0.254 -7.771 0.000) 7.775 2.381 ( 0.041 -3.892 0.000) 3.893 2.939 ( 9.444 7.157 0.000) 11.850 3.157 ( -10.304 5.983 0.000) 11.915 3.320 ( 3.232 -2.671 0.000) 4.193 3.366 ( -1.535 -4.673 0.000) 4.919 3.560 ( 3.979 -9.249 0.000) 10.069 3.675 ( -4.541 -11.511 0.000) 12.374 3.854 ( 15.462 -6.625 0.000) 16.822 4.117 ( 1.124 -2.153 0.000) 2.429 4.461 ( -5.423 5.150 0.000) 7.479 4.484 ( 0.026 10.761 0.000) 10.761 4.765 ( -6.462 -2.691 0.000) 7.000 4.771 ( -4.867 -4.775 0.000) 6.819 5.267 ( -0.534 -5.606 0.000) 5.631 5.284 ( -1.765 0.773 0.000) 1.927 5.491 ( 5.296 -7.771 0.000) 9.404 5.719 ( -15.565 1.097 0.000) 15.604 6.145 ( 9.303 -10.653 0.000) 14.143 6.389 ( -12.306 -10.287 0.000) 16.040 7.033 ( 14.007 6.695 0.000) 15.525 7.201 ( 2.879 9.766 0.000) 10.182 7.260 ( -2.439 5.661 0.000) 6.164 7.338 ( -13.239 3.945 0.000) 13.815 7.486 ( 8.179 -6.523 0.000) 10.461 7.640 ( -8.195 -6.581 0.000) 10.510 7.981 ( 0.519 3.898 0.000) 3.932 7.981 ( 0.634 4.477 0.000) 4.522 9.027 ( 3.033 -0.735 0.000) 3.120 9.093 ( -3.028 -2.955 0.000) 4.231 10.559 ( 3.811 -2.591 0.000) 4.608 10.704 ( -9.237 -3.224 0.000) 9.784 10.780 ( 11.437 2.553 0.000) 11.718 10.963 ( -6.153 4.999 0.000) 7.927 12.484 ( 1.818 -0.214 0.000) 1.831 12.566 ( -5.488 0.453 0.000) 5.507 12.712 ( 10.243 -0.387 0.000) 10.250 12.900 ( -4.862 -2.749 0.000) 5.586 13.640 ( 30.486 -2.545 0.000) 30.592 14.286 ( -29.654 -3.838 0.000) 29.901 14.459 ( 10.325 -10.617 0.000) 14.810 14.660 ( -9.436 -8.659 0.000) 12.807 17.376 ( 0.874 4.703 0.000) 4.784 17.434 ( -4.829 3.917 0.000) 6.218 17.711 ( 10.004 -8.416 0.000) 13.073 17.939 ( -11.483 -7.404 0.000) 13.663 18.728 ( 14.172 13.529 0.000) 19.593 19.035 ( -15.294 15.301 0.000) 21.634 19.350 ( 9.725 -11.137 0.000) 14.786 19.550 ( -10.207 -10.082 0.000) 14.347 20.420 ( 8.416 -0.868 0.000) 8.461 20.591 ( -8.094 0.067 0.000) 8.094 20.739 ( 3.904 -0.821 0.000) 3.989 20.800 ( -1.967 0.366 0.000) 2.001 ======================= Grid point 45 (26/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 -0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 -0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 -0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 -0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 -0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 -0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 7.227 ( 0.000 0.000 0.000) 0.000 7.291 ( 0.000 -0.000 0.000) 0.000 7.295 ( 0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 8.338 ( 0.000 0.000 0.000) 0.000 8.804 ( 0.000 0.000 0.000) 0.000 8.888 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 11.026 ( 0.000 0.000 0.000) 0.000 11.060 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.469 ( 0.000 0.000 0.000) 0.000 12.421 ( 0.000 0.000 0.000) 0.000 13.105 ( 0.000 0.000 0.000) 0.000 13.119 ( 0.000 0.000 0.000) 0.000 13.163 ( 0.000 0.000 0.000) 0.000 13.612 ( 0.000 0.000 0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 16.054 ( 0.000 0.000 0.000) 0.000 17.056 ( 0.000 0.000 0.000) 0.000 17.669 ( 0.000 0.000 0.000) 0.000 18.204 ( 0.000 0.000 0.000) 0.000 18.223 ( 0.000 0.000 0.000) 0.000 18.407 ( 0.000 0.000 0.000) 0.000 18.608 ( 0.000 0.000 0.000) 0.000 19.738 ( 0.000 0.000 0.000) 0.000 19.870 ( 0.000 0.000 0.000) 0.000 19.986 ( 0.000 0.000 0.000) 0.000 20.783 ( 0.000 0.000 0.000) 0.000 20.801 ( 0.000 0.000 0.000) 0.000 20.849 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 47 (27/90) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 14.374 0.000 0.000) 14.374 1.567 ( 0.122 0.000 0.000) 0.122 1.874 ( -1.721 0.000 0.000) 1.721 1.891 ( 1.726 -0.000 0.000) 1.726 1.970 ( 5.749 -0.000 0.000) 5.749 2.131 ( -7.167 -0.000 0.000) 7.167 2.139 ( 3.101 0.000 0.000) 3.101 2.804 ( -8.336 0.000 0.000) 8.336 3.134 ( 2.330 0.000 0.000) 2.330 3.137 ( 1.811 -0.000 0.000) 1.811 3.323 ( 5.279 0.000 0.000) 5.279 3.375 ( -7.310 -0.000 0.000) 7.310 3.403 ( -2.765 0.000 0.000) 2.765 3.558 ( 4.719 -0.000 0.000) 4.719 3.573 ( -1.190 0.000 0.000) 1.190 3.695 ( 0.514 0.000 0.000) 0.514 4.752 ( -6.377 0.000 0.000) 6.377 4.872 ( -4.980 -0.000 0.000) 4.980 4.913 ( -8.915 0.000 0.000) 8.915 5.342 ( -9.449 0.000 0.000) 9.449 5.375 ( 8.479 0.000 0.000) 8.479 5.457 ( -8.707 0.000 0.000) 8.707 5.734 ( -5.697 0.000 0.000) 5.697 6.045 ( 19.198 0.000 0.000) 19.198 6.570 ( -11.917 -0.000 0.000) 11.917 6.783 ( -9.065 0.000 0.000) 9.065 6.876 ( -2.814 0.000 0.000) 2.814 7.236 ( -4.137 0.000 0.000) 4.137 7.310 ( -0.393 0.000 0.000) 0.393 7.312 ( 4.722 -0.000 0.000) 4.722 7.497 ( 10.837 -0.000 0.000) 10.837 7.521 ( -5.633 0.000 0.000) 5.633 7.909 ( 2.069 0.000 0.000) 2.069 8.288 ( -4.905 0.000 0.000) 4.905 8.899 ( 7.767 0.000 0.000) 7.767 8.913 ( 2.131 0.000 0.000) 2.131 9.721 ( 13.297 0.000 0.000) 13.297 11.054 ( -0.222 0.000 0.000) 0.222 11.197 ( 4.790 -0.000 0.000) 4.790 11.260 ( -5.266 0.000 0.000) 5.266 11.298 ( -2.829 -0.000 0.000) 2.829 12.420 ( 0.036 0.000 0.000) 0.036 12.994 ( -11.004 0.000 0.000) 11.004 13.052 ( -5.004 -0.000 0.000) 5.004 13.256 ( 7.058 0.000 0.000) 7.058 13.676 ( 6.106 0.000 0.000) 6.106 14.779 ( 1.094 0.000 0.000) 1.094 15.841 ( -18.605 0.000 0.000) 18.605 17.094 ( 3.678 0.000 0.000) 3.678 17.718 ( 2.707 0.000 0.000) 2.707 18.052 ( -12.871 0.000 0.000) 12.871 18.260 ( 3.752 0.000 0.000) 3.752 18.374 ( -3.174 0.000 0.000) 3.174 18.652 ( 4.575 0.000 0.000) 4.575 19.695 ( -3.310 0.000 0.000) 3.310 19.925 ( 5.116 0.000 0.000) 5.116 20.140 ( 12.290 0.000 0.000) 12.290 20.542 ( -16.809 -0.000 0.000) 16.809 20.811 ( 0.890 0.000 0.000) 0.890 20.924 ( 1.153 0.000 0.000) 1.153 ======================= Grid point 49 (28/90) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -0.860 0.000 0.000) 0.860 1.804 ( -4.226 0.000 0.000) 4.226 1.864 ( 13.642 0.000 0.000) 13.642 1.934 ( 2.255 0.000 0.000) 2.255 1.978 ( -7.294 0.000 0.000) 7.294 2.142 ( 9.568 -0.000 0.000) 9.568 2.184 ( 0.101 0.000 0.000) 0.101 2.543 ( -15.323 -0.000 0.000) 15.323 3.165 ( -7.277 -0.000 0.000) 7.277 3.205 ( -0.384 0.000 0.000) 0.384 3.222 ( 6.806 0.000 0.000) 6.806 3.363 ( -0.125 0.000 0.000) 0.125 3.407 ( 0.107 -0.000 0.000) 0.107 3.553 ( 0.688 -0.000 0.000) 0.688 3.626 ( 0.479 0.000 0.000) 0.479 3.732 ( 3.942 0.000 0.000) 3.942 4.626 ( -4.766 0.000 0.000) 4.766 4.837 ( 2.293 -0.000 0.000) 2.293 4.894 ( 6.294 -0.000 0.000) 6.294 5.062 ( -17.136 0.000 0.000) 17.136 5.211 ( -13.246 0.000 0.000) 13.246 5.469 ( 0.582 0.000 0.000) 0.582 5.532 ( -14.274 0.000 0.000) 14.274 6.335 ( -11.236 -0.000 0.000) 11.236 6.351 ( 2.893 0.000 0.000) 2.893 6.615 ( -0.179 0.000 0.000) 0.179 6.768 ( -8.111 0.000 0.000) 8.111 7.197 ( 1.263 0.000 0.000) 1.263 7.296 ( -0.265 0.000 0.000) 0.265 7.373 ( 1.781 -0.000 0.000) 1.781 7.407 ( -4.785 0.000 0.000) 4.785 7.762 ( 13.060 -0.000 0.000) 13.060 7.944 ( 1.065 0.000 0.000) 1.065 8.132 ( -10.205 0.000 0.000) 10.205 8.959 ( 1.967 0.000 0.000) 1.967 9.045 ( 5.050 0.000 0.000) 5.050 10.072 ( 19.636 0.000 0.000) 19.636 10.864 ( -18.077 0.000 0.000) 18.077 11.066 ( 1.358 0.000 0.000) 1.358 11.108 ( -9.330 0.000 0.000) 9.330 11.790 ( 32.644 -0.000 0.000) 32.644 12.436 ( 1.955 0.000 0.000) 1.955 12.735 ( -12.573 0.000 0.000) 12.573 12.913 ( -8.115 -0.000 0.000) 8.115 13.371 ( 3.047 -0.000 0.000) 3.047 13.849 ( 10.353 0.000 0.000) 10.353 14.781 ( -1.347 0.000 0.000) 1.347 15.382 ( -24.741 0.000 0.000) 24.741 17.205 ( 7.064 0.000 0.000) 7.064 17.713 ( -3.454 0.000 0.000) 3.454 17.765 ( -13.516 0.000 0.000) 13.516 18.266 ( -6.671 0.000 0.000) 6.671 18.391 ( 8.324 0.000 0.000) 8.324 18.797 ( 9.133 0.000 0.000) 9.133 19.613 ( -4.741 0.000 0.000) 4.741 20.062 ( 7.822 0.000 0.000) 7.822 20.143 ( -21.290 0.000 0.000) 21.290 20.400 ( 11.834 0.000 0.000) 11.834 20.830 ( 0.713 0.000 0.000) 0.713 20.886 ( -4.450 0.000 0.000) 4.450 ======================= Grid point 51 (29/90) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -1.582 0.000 0.000) 1.582 1.733 ( -1.827 0.000 0.000) 1.827 1.808 ( -9.967 0.000 0.000) 9.967 1.977 ( 2.000 0.000 0.000) 2.000 2.042 ( -0.072 0.000 0.000) 0.072 2.147 ( 0.555 0.000 0.000) 0.555 2.273 ( -9.499 -0.000 0.000) 9.499 2.306 ( 5.190 -0.000 0.000) 5.190 2.989 ( -5.112 -0.000 0.000) 5.112 3.268 ( 3.662 0.000 0.000) 3.662 3.332 ( -5.388 0.000 0.000) 5.388 3.392 ( 1.760 0.000 0.000) 1.760 3.411 ( 9.802 0.000 0.000) 9.802 3.562 ( -2.240 -0.000 0.000) 2.240 3.581 ( -1.739 0.000 0.000) 1.739 3.900 ( 12.686 0.000 0.000) 12.686 4.559 ( -2.314 0.000 0.000) 2.314 4.686 ( -18.015 0.000 0.000) 18.015 4.996 ( -7.628 -0.000 0.000) 7.628 5.004 ( 13.114 0.000 0.000) 13.114 5.061 ( 8.583 -0.000 0.000) 8.583 5.170 ( -19.850 0.000 0.000) 19.850 5.420 ( -4.379 0.000 0.000) 4.379 6.108 ( -9.505 -0.000 0.000) 9.505 6.121 ( -17.282 0.000 0.000) 17.282 6.545 ( -13.271 0.000 0.000) 13.271 6.832 ( 14.061 -0.000 0.000) 14.061 7.274 ( 5.208 0.000 0.000) 5.208 7.309 ( 1.432 0.000 0.000) 1.432 7.337 ( -2.210 -0.000 0.000) 2.210 7.405 ( 1.404 0.000 0.000) 1.404 7.847 ( -14.012 0.000 0.000) 14.012 7.974 ( 6.740 0.000 0.000) 6.740 7.988 ( 0.313 0.000 0.000) 0.313 8.989 ( 1.147 0.000 0.000) 1.147 9.089 ( -0.378 0.000 0.000) 0.378 10.476 ( 18.755 0.000 0.000) 18.755 10.582 ( -8.291 0.000 0.000) 8.291 10.893 ( -11.187 0.000 0.000) 11.187 11.086 ( -0.335 0.000 0.000) 0.335 12.497 ( 32.886 0.000 0.000) 32.886 12.521 ( 6.735 -0.000 0.000) 6.735 12.532 ( -6.430 0.000 0.000) 6.430 12.737 ( -8.690 0.000 0.000) 8.690 13.385 ( 0.301 -0.000 0.000) 0.301 14.087 ( 12.541 0.000 0.000) 12.541 14.715 ( -5.205 0.000 0.000) 5.205 14.850 ( -27.239 0.000 0.000) 27.239 17.381 ( 9.947 0.000 0.000) 9.947 17.538 ( -8.058 0.000 0.000) 8.058 17.600 ( -6.586 0.000 0.000) 6.586 18.090 ( -10.235 0.000 0.000) 10.235 18.610 ( 12.849 0.000 0.000) 12.849 18.998 ( 9.923 -0.000 0.000) 9.923 19.500 ( -6.196 0.000 0.000) 6.196 19.698 ( -21.538 0.000 0.000) 21.538 20.233 ( 8.619 0.000 0.000) 8.619 20.603 ( 7.939 0.000 0.000) 7.939 20.759 ( -7.522 0.000 0.000) 7.522 20.833 ( -0.557 0.000 0.000) 0.557 ======================= Grid point 53 (30/90) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 1.126 0.000 0.000) 1.126 1.608 ( -7.783 0.000 0.000) 7.783 1.756 ( 4.292 0.000 0.000) 4.292 1.899 ( -8.845 0.000 0.000) 8.845 2.029 ( 3.533 0.000 0.000) 3.533 2.127 ( -5.840 0.000 0.000) 5.840 2.241 ( 5.359 -0.000 0.000) 5.359 2.330 ( -2.487 0.000 0.000) 2.487 3.017 ( 7.393 -0.000 0.000) 7.393 3.201 ( -8.124 0.000 0.000) 8.124 3.346 ( 4.069 0.000 0.000) 4.069 3.411 ( 0.403 0.000 0.000) 0.403 3.434 ( -2.294 -0.000 0.000) 2.294 3.454 ( -6.605 0.000 0.000) 6.605 3.793 ( 16.980 0.000 0.000) 16.980 4.084 ( -5.044 0.000 0.000) 5.044 4.488 ( 7.238 0.000 0.000) 7.238 4.565 ( 4.533 0.000 0.000) 4.533 4.781 ( -16.240 -0.000 0.000) 16.240 4.792 ( -14.441 -0.000 0.000) 14.441 5.212 ( 5.915 0.000 0.000) 5.915 5.296 ( 3.219 0.000 0.000) 3.219 5.365 ( 10.604 -0.000 0.000) 10.604 5.739 ( -19.360 0.000 0.000) 19.360 6.044 ( 4.625 -0.000 0.000) 4.625 6.255 ( -13.869 0.000 0.000) 13.869 7.119 ( 13.242 -0.000 0.000) 13.242 7.292 ( -3.293 -0.000 0.000) 3.293 7.356 ( 3.677 0.000 0.000) 3.677 7.373 ( 3.826 0.000 0.000) 3.826 7.418 ( -0.541 0.000 0.000) 0.541 7.537 ( -14.274 0.000 0.000) 14.274 8.015 ( 1.694 0.000 0.000) 1.694 8.038 ( 0.164 0.000 0.000) 0.164 9.015 ( 1.594 0.000 0.000) 1.594 9.056 ( -2.212 0.000 0.000) 2.212 10.533 ( 3.048 0.000 0.000) 3.048 10.673 ( -9.591 0.000 0.000) 9.591 10.812 ( 13.569 0.000 0.000) 13.569 11.020 ( -6.557 0.000 0.000) 6.557 12.483 ( 1.463 -0.000 0.000) 1.463 12.574 ( -6.753 0.000 0.000) 6.753 12.705 ( 10.332 0.000 0.000) 10.332 12.865 ( -0.805 0.000 0.000) 0.805 13.626 ( 26.731 -0.000 0.000) 26.731 14.255 ( -30.912 0.000 0.000) 30.912 14.345 ( 12.138 0.000 0.000) 12.138 14.567 ( -9.171 0.000 0.000) 9.171 17.443 ( -1.228 -0.000 0.000) 1.228 17.480 ( -4.409 0.000 0.000) 4.409 17.607 ( 11.911 0.000 0.000) 11.911 17.857 ( -12.156 0.000 0.000) 12.156 18.911 ( 16.334 0.000 0.000) 16.334 19.192 ( 8.844 -0.000 0.000) 8.844 19.277 ( -19.334 0.000 0.000) 19.334 19.359 ( -7.524 0.000 0.000) 7.524 20.412 ( 8.786 0.000 0.000) 8.786 20.591 ( -8.636 0.000 0.000) 8.636 20.731 ( 4.712 0.000 0.000) 4.712 20.803 ( -2.405 0.000 0.000) 2.405 ======================= Grid point 99 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.311 ( 0.000 0.000 9.157) 9.157 0.446 ( 0.000 0.000 13.102) 13.102 0.550 ( 0.000 0.000 11.920) 11.920 0.731 ( 0.000 0.000 35.048) 35.048 1.339 ( 0.000 0.000 -5.676) 5.676 1.865 ( 0.000 0.000 8.562) 8.562 1.966 ( 0.000 0.000 6.150) 6.150 2.256 ( 0.000 0.000 -3.151) 3.151 2.353 ( 0.000 0.000 -14.902) 14.902 2.471 ( 0.000 0.000 6.402) 6.402 2.565 ( 0.000 0.000 -3.698) 3.698 3.147 ( 0.000 0.000 7.140) 7.140 3.232 ( 0.000 0.000 -9.161) 9.161 3.343 ( 0.000 0.000 9.477) 9.477 3.516 ( 0.000 0.000 -2.497) 2.497 3.674 ( 0.000 0.000 -1.812) 1.812 3.768 ( 0.000 0.000 6.551) 6.551 4.536 ( 0.000 0.000 3.624) 3.624 4.754 ( 0.000 0.000 -13.875) 13.875 5.063 ( 0.000 0.000 -8.629) 8.629 5.593 ( 0.000 0.000 0.123) 0.123 5.619 ( 0.000 0.000 0.567) 0.567 5.968 ( 0.000 0.000 6.824) 6.824 6.233 ( 0.000 0.000 0.370) 0.370 6.283 ( 0.000 0.000 -2.253) 2.253 6.499 ( 0.000 0.000 -4.727) 4.727 7.125 ( 0.000 0.000 -3.848) 3.848 7.163 ( 0.000 0.000 -0.840) 0.840 7.236 ( 0.000 0.000 14.505) 14.505 7.474 ( 0.000 0.000 11.487) 11.487 7.943 ( 0.000 0.000 0.741) 0.741 8.012 ( 0.000 0.000 -1.265) 1.265 8.113 ( 0.000 0.000 -5.809) 5.809 8.144 ( 0.000 0.000 -7.053) 7.053 10.100 ( 0.000 0.000 2.682) 2.682 10.192 ( 0.000 0.000 0.130) 0.130 10.502 ( 0.000 0.000 -7.979) 7.979 10.508 ( 0.000 0.000 -4.165) 4.165 10.673 ( 0.000 0.000 11.626) 11.626 11.445 ( 0.000 0.000 6.743) 6.743 11.555 ( 0.000 0.000 -11.331) 11.331 11.803 ( 0.000 0.000 -2.690) 2.690 12.454 ( 0.000 0.000 0.563) 0.563 12.508 ( 0.000 0.000 -0.636) 0.636 13.229 ( 0.000 0.000 5.642) 5.642 13.561 ( 0.000 0.000 -2.636) 2.636 15.915 ( 0.000 0.000 2.473) 2.473 16.172 ( 0.000 0.000 -3.481) 3.481 17.597 ( 0.000 0.000 3.042) 3.042 17.882 ( 0.000 0.000 -3.877) 3.877 18.117 ( 0.000 0.000 2.403) 2.403 18.269 ( 0.000 0.000 -1.509) 1.509 18.608 ( 0.000 0.000 8.539) 8.539 19.207 ( 0.000 0.000 0.128) 0.128 19.209 ( 0.000 0.000 0.089) 0.089 19.467 ( 0.000 0.000 -13.698) 13.698 19.877 ( 0.000 0.000 3.284) 3.284 19.981 ( 0.000 0.000 -0.708) 0.708 20.624 ( 0.000 0.000 6.588) 6.588 20.998 ( 0.000 0.000 -2.901) 2.901 ======================= Grid point 100 (32/90) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 15.440 0.000 11.395) 19.190 0.715 ( 18.990 0.000 8.781) 20.922 0.778 ( 18.625 0.000 4.517) 19.165 1.153 ( 32.489 0.000 17.160) 36.742 1.393 ( 2.737 0.000 -6.957) 7.476 1.890 ( -1.985 0.000 8.199) 8.435 2.027 ( 6.408 0.000 0.551) 6.431 2.303 ( 4.017 0.000 -2.834) 4.916 2.504 ( 16.403 0.000 -8.964) 18.693 2.605 ( 13.193 0.000 7.279) 15.068 2.942 ( 12.910 0.000 -18.564) 22.612 3.155 ( 2.895 0.000 4.270) 5.159 3.357 ( 5.092 0.000 -14.800) 15.652 3.436 ( 8.529 0.000 8.385) 11.961 3.588 ( 4.021 0.000 -9.406) 10.230 3.727 ( 6.252 0.000 -4.208) 7.536 3.962 ( 16.939 0.000 5.962) 17.958 4.197 ( -14.659 0.000 3.608) 15.096 5.125 ( 5.308 0.000 -9.713) 11.069 5.127 ( 16.202 0.000 -7.839) 17.998 5.506 ( -8.891 0.000 3.074) 9.407 5.630 ( 2.801 0.000 -0.252) 2.812 5.994 ( 6.249 0.000 0.004) 6.249 6.043 ( -13.831 0.000 -0.418) 13.837 6.466 ( 14.711 0.000 2.049) 14.853 6.620 ( 1.850 0.000 0.211) 1.862 7.044 ( -9.936 0.000 4.350) 10.846 7.140 ( -0.301 0.000 0.414) 0.512 7.193 ( -2.363 0.000 7.398) 7.767 7.442 ( -31.129 0.000 26.758) 41.049 7.584 ( 10.655 0.000 9.578) 14.327 7.828 ( -10.461 0.000 -0.145) 10.462 8.053 ( -7.220 0.000 -2.951) 7.800 8.139 ( 0.073 0.000 -9.353) 9.353 8.857 ( -15.786 0.000 18.892) 24.619 9.589 ( -28.921 0.000 -2.464) 29.026 10.635 ( 0.981 0.000 7.917) 7.978 10.917 ( 16.779 0.000 -0.459) 16.785 11.314 ( -0.853 0.000 -3.780) 3.875 11.527 ( -2.638 0.000 -9.904) 10.249 12.045 ( 25.287 0.000 0.440) 25.291 12.429 ( -2.037 0.000 0.547) 2.109 12.463 ( -2.715 0.000 -1.096) 2.928 13.202 ( 80.422 0.000 -73.119) 108.693 13.202 ( -2.596 0.000 4.967) 5.604 13.501 ( -5.620 0.000 -2.427) 6.122 15.789 ( -9.770 0.000 9.841) 13.867 16.086 ( -8.292 0.000 -2.849) 8.768 17.566 ( -3.631 0.000 4.685) 5.928 17.798 ( -19.887 0.000 16.305) 25.716 17.807 ( -6.514 0.000 -2.513) 6.982 17.983 ( -11.286 0.000 1.242) 11.354 18.701 ( 7.868 0.000 7.321) 10.748 19.214 ( 0.676 0.000 0.428) 0.800 19.241 ( 2.902 0.000 -0.179) 2.907 19.535 ( -1.126 0.000 -15.418) 15.459 20.096 ( 9.952 0.000 -0.603) 9.970 20.118 ( 13.385 0.000 -4.264) 14.048 20.625 ( 0.087 0.000 6.273) 6.274 20.981 ( -1.539 0.000 -2.781) 3.178 ======================= Grid point 101 (33/90) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 19.331 0.000 4.335) 19.811 1.095 ( 17.699 0.000 3.976) 18.140 1.187 ( 20.457 0.000 1.107) 20.487 1.410 ( -0.416 0.000 -6.976) 6.989 1.748 ( 21.729 0.000 2.796) 21.909 1.775 ( -7.202 0.000 6.659) 9.809 2.170 ( 5.486 0.000 0.793) 5.543 2.384 ( 2.953 0.000 -2.354) 3.776 2.878 ( 19.005 0.000 -4.648) 19.565 2.993 ( 18.755 0.000 2.027) 18.864 3.081 ( 1.766 0.000 -10.059) 10.213 3.337 ( 15.043 0.000 3.411) 15.424 3.426 ( 2.892 0.000 -9.062) 9.512 3.523 ( -7.468 0.000 -1.793) 7.681 3.696 ( 17.665 0.000 3.667) 18.042 3.928 ( 12.114 0.000 -9.259) 15.247 4.102 ( 6.477 0.000 6.136) 8.922 4.384 ( 22.771 0.000 3.267) 23.004 5.228 ( 3.682 0.000 -11.568) 12.140 5.269 ( -1.185 0.000 1.224) 1.704 5.326 ( -8.042 0.000 9.316) 12.307 5.681 ( 2.444 0.000 -0.529) 2.501 5.833 ( -6.429 0.000 7.417) 9.816 6.148 ( -0.122 0.000 2.434) 2.437 6.503 ( -12.040 0.000 1.849) 12.182 6.583 ( 4.945 0.000 -6.327) 8.030 6.954 ( -6.613 0.000 1.783) 6.850 7.030 ( -8.761 0.000 10.623) 13.769 7.157 ( -4.470 0.000 -1.673) 4.773 7.187 ( 8.737 0.000 12.567) 15.306 7.567 ( -13.245 0.000 -0.824) 13.271 7.845 ( -11.293 0.000 3.239) 11.748 7.897 ( 18.361 0.000 2.184) 18.491 8.113 ( -3.274 0.000 -13.440) 13.833 8.732 ( -2.604 0.000 7.316) 7.766 9.093 ( -18.684 0.000 -1.953) 18.785 10.665 ( 2.014 0.000 6.335) 6.647 11.073 ( 1.624 0.000 -3.540) 3.894 11.248 ( -5.468 0.000 -2.094) 5.855 11.447 ( -5.126 0.000 -6.893) 8.590 12.389 ( -0.792 0.000 0.495) 0.934 12.416 ( -0.565 0.000 -0.146) 0.583 12.747 ( 35.159 0.000 7.214) 35.891 13.146 ( 0.251 0.000 2.649) 2.660 13.341 ( -9.689 0.000 -1.944) 9.882 14.231 ( 30.830 0.000 -44.746) 54.338 15.590 ( -9.229 0.000 11.432) 14.693 15.844 ( -15.037 0.000 -1.309) 15.094 17.453 ( -4.968 0.000 7.263) 8.800 17.604 ( -4.090 0.000 3.669) 5.494 17.649 ( -8.227 0.000 -0.887) 8.275 17.728 ( -12.296 0.000 0.357) 12.301 18.888 ( 9.685 0.000 4.915) 10.861 19.233 ( 1.099 0.000 1.032) 1.508 19.309 ( 3.210 0.000 -0.661) 3.278 19.472 ( -3.963 0.000 -9.321) 10.129 20.322 ( 7.558 0.000 -1.726) 7.752 20.328 ( 11.632 0.000 -0.941) 11.670 20.626 ( -0.112 0.000 5.450) 5.451 20.940 ( -2.332 0.000 -2.530) 3.441 ======================= Grid point 102 (34/90) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 18.394 0.000 -0.169) 18.395 1.372 ( 3.494 0.000 -2.865) 4.519 1.478 ( 12.464 0.000 0.983) 12.503 1.594 ( 18.542 0.000 -1.646) 18.615 1.639 ( -4.721 0.000 6.942) 8.395 2.000 ( 4.220 0.000 -4.845) 6.426 2.207 ( -2.216 0.000 1.882) 2.907 2.397 ( -2.117 0.000 -2.092) 2.976 3.059 ( -2.267 0.000 -5.836) 6.261 3.223 ( 12.827 0.000 -11.639) 17.321 3.288 ( -10.017 0.000 1.900) 10.195 3.340 ( 15.688 0.000 1.045) 15.723 3.602 ( 9.816 0.000 -2.081) 10.034 3.641 ( 14.280 0.000 1.742) 14.386 4.092 ( 3.561 0.000 0.342) 3.577 4.142 ( 21.615 0.000 -1.052) 21.640 4.482 ( 25.916 0.000 0.747) 25.927 4.820 ( 16.904 0.000 -4.037) 17.380 5.159 ( -8.497 0.000 15.164) 17.382 5.197 ( -2.809 0.000 6.686) 7.252 5.326 ( 9.710 0.000 -2.379) 9.997 5.689 ( -5.995 0.000 7.167) 9.344 5.779 ( 3.519 0.000 5.988) 6.946 5.927 ( -14.811 0.000 3.676) 15.260 6.194 ( -15.874 0.000 -0.073) 15.875 6.752 ( -5.434 0.000 -0.592) 5.466 6.772 ( -17.124 0.000 5.433) 17.965 6.941 ( 19.452 0.000 -14.508) 24.266 7.027 ( -5.772 0.000 0.745) 5.820 7.246 ( -12.040 0.000 -4.965) 13.023 7.313 ( -11.590 0.000 0.079) 11.590 7.821 ( 12.166 0.000 13.993) 18.542 7.998 ( -6.989 0.000 -15.583) 17.078 8.270 ( 16.596 0.000 -1.104) 16.632 8.661 ( -5.267 0.000 7.060) 8.808 8.824 ( -8.332 0.000 0.186) 8.334 10.719 ( 3.275 0.000 4.262) 5.375 11.079 ( 0.138 0.000 -5.266) 5.268 11.100 ( -8.358 0.000 -0.852) 8.402 11.324 ( -6.503 0.000 -5.034) 8.224 12.413 ( 3.532 0.000 1.221) 3.737 12.466 ( 5.562 0.000 -0.129) 5.563 12.912 ( -7.295 0.000 4.234) 8.435 13.117 ( -11.870 0.000 -1.433) 11.956 13.672 ( 37.957 0.000 5.489) 38.351 14.697 ( 17.143 0.000 -23.376) 28.988 15.407 ( -8.887 0.000 6.412) 10.959 15.478 ( -20.496 0.000 0.634) 20.505 17.397 ( -0.774 0.000 2.604) 2.717 17.491 ( -6.764 0.000 -0.167) 6.766 17.513 ( -8.215 0.000 0.715) 8.246 17.531 ( -3.411 0.000 0.609) 3.465 19.080 ( 8.710 0.000 2.623) 9.096 19.258 ( 1.341 0.000 1.295) 1.864 19.353 ( 0.717 0.000 -0.794) 1.070 19.393 ( -3.512 0.000 -4.654) 5.831 20.451 ( 5.148 0.000 0.045) 5.148 20.547 ( 9.403 0.000 -1.705) 9.557 20.618 ( -0.778 0.000 4.280) 4.350 20.888 ( -2.862 0.000 -2.379) 3.722 ======================= Grid point 103 (35/90) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 3.007 0.000 0.647) 3.076 1.501 ( -4.593 0.000 3.931) 6.045 1.669 ( 13.238 0.000 -3.916) 13.805 1.822 ( 14.696 0.000 3.055) 15.010 1.839 ( -0.189 0.000 -5.332) 5.336 2.073 ( 9.007 0.000 -3.006) 9.496 2.081 ( -9.841 0.000 2.574) 10.172 2.287 ( -8.657 0.000 -1.829) 8.848 3.039 ( 1.030 0.000 -1.829) 2.099 3.114 ( -6.354 0.000 1.318) 6.489 3.426 ( 7.184 0.000 -9.833) 12.178 3.503 ( 0.526 0.000 -5.808) 5.832 3.835 ( 12.206 0.000 1.757) 12.332 4.016 ( 20.792 0.000 -4.371) 21.246 4.055 ( -7.502 0.000 2.640) 7.953 4.339 ( -5.936 0.000 -6.240) 8.612 4.912 ( 10.358 0.000 8.155) 13.183 5.018 ( -4.571 0.000 14.723) 15.416 5.104 ( 15.356 0.000 2.146) 15.505 5.280 ( 14.119 0.000 4.254) 14.746 5.426 ( -12.712 0.000 5.698) 13.931 5.622 ( -15.635 0.000 1.075) 15.672 5.740 ( 17.493 0.000 4.857) 18.155 5.877 ( 6.755 0.000 8.416) 10.792 5.945 ( -5.257 0.000 -4.045) 6.633 6.334 ( -24.589 0.000 5.550) 25.208 6.697 ( 2.713 0.000 -0.388) 2.740 6.899 ( -15.983 0.000 -1.581) 16.061 6.985 ( 2.074 0.000 -0.086) 2.075 7.101 ( -8.629 0.000 -0.553) 8.646 7.375 ( 19.786 0.000 -20.271) 28.327 7.732 ( -14.566 0.000 -18.254) 23.353 8.200 ( 16.899 0.000 12.072) 20.768 8.494 ( -11.285 0.000 9.527) 14.769 8.545 ( 10.062 0.000 -0.815) 10.095 8.697 ( -5.556 0.000 0.436) 5.573 10.803 ( 5.110 0.000 2.287) 5.598 10.932 ( -7.475 0.000 0.618) 7.500 11.107 ( 2.849 0.000 -5.345) 6.057 11.196 ( -5.631 0.000 -4.831) 7.419 12.536 ( 8.164 0.000 1.994) 8.404 12.633 ( 10.222 0.000 -0.516) 10.235 12.727 ( -9.849 0.000 2.732) 10.220 12.867 ( -12.188 0.000 -0.962) 12.226 14.403 ( 32.544 0.000 4.724) 32.885 14.991 ( 12.217 0.000 -10.007) 15.792 15.002 ( -26.066 0.000 2.735) 26.209 15.215 ( -9.956 0.000 -0.750) 9.984 17.392 ( -2.455 0.000 0.436) 2.493 17.398 ( -3.007 0.000 0.907) 3.141 17.410 ( 1.821 0.000 0.068) 1.823 17.463 ( -3.132 0.000 -0.433) 3.161 19.235 ( 6.296 0.000 0.845) 6.352 19.289 ( 1.726 0.000 0.634) 1.839 19.331 ( -2.930 0.000 -0.304) 2.946 19.332 ( -2.494 0.000 -1.309) 2.817 20.537 ( 3.377 0.000 1.459) 3.679 20.591 ( -1.898 0.000 2.899) 3.465 20.710 ( 6.511 0.000 -2.245) 6.887 20.818 ( -4.154 0.000 -2.377) 4.786 ======================= Grid point 108 (36/90) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 0.000 13.226 12.987) 18.536 0.667 ( 0.000 20.729 10.814) 23.380 1.046 ( 0.000 38.785 0.805) 38.794 1.131 ( 0.000 35.299 8.733) 36.363 1.532 ( 0.000 13.773 -9.838) 16.926 1.960 ( 0.000 7.887 6.920) 10.492 2.110 ( 0.000 -11.967 -11.371) 16.508 2.114 ( 0.000 10.201 11.443) 15.330 2.366 ( 0.000 -0.735 -7.755) 7.790 2.576 ( 0.000 1.023 -1.902) 2.160 2.646 ( 0.000 19.424 7.016) 20.652 3.110 ( 0.000 -2.399 7.425) 7.803 3.297 ( 0.000 4.658 -5.424) 7.150 3.376 ( 0.000 2.717 6.934) 7.448 3.530 ( 0.000 2.464 -4.305) 4.960 3.702 ( 0.000 2.721 -1.736) 3.228 3.918 ( 0.000 14.317 7.371) 16.103 4.504 ( 0.000 -1.990 6.974) 7.253 4.752 ( 0.000 -0.293 -12.139) 12.142 5.100 ( 0.000 3.644 -8.802) 9.527 5.658 ( 0.000 4.041 -0.851) 4.130 5.808 ( 0.000 11.285 -15.313) 19.023 5.862 ( 0.000 -9.372 7.578) 12.053 6.223 ( 0.000 -3.203 0.432) 3.232 6.310 ( 0.000 2.503 -3.013) 3.917 6.366 ( 0.000 -9.420 -4.362) 10.381 7.072 ( 0.000 -1.028 -3.570) 3.715 7.156 ( 0.000 -5.582 12.731) 13.901 7.182 ( 0.000 -0.609 -1.625) 1.736 7.420 ( 0.000 -4.087 11.962) 12.640 7.929 ( 0.000 -1.416 0.121) 1.421 7.941 ( 0.000 -8.664 9.524) 12.875 8.098 ( 0.000 -1.690 -4.797) 5.086 8.168 ( 0.000 5.109 -3.947) 6.456 9.130 ( 0.000 -29.395 33.552) 44.607 10.318 ( 0.000 -17.202 -9.146) 19.482 10.386 ( 0.000 6.439 0.149) 6.440 10.548 ( 0.000 3.542 -5.634) 6.655 10.704 ( 0.000 5.666 8.585) 10.286 11.263 ( 0.000 -17.623 3.667) 18.000 11.558 ( 0.000 0.171 0.093) 0.194 12.444 ( 0.000 1.204 -1.932) 2.277 12.591 ( 0.000 7.428 -2.267) 7.766 12.819 ( 0.000 38.775 -48.219) 61.875 13.218 ( 0.000 -1.016 5.253) 5.350 13.532 ( 0.000 -2.810 -2.636) 3.853 15.705 ( 0.000 -14.936 17.553) 23.048 16.171 ( 0.000 -0.317 -3.885) 3.898 17.485 ( 0.000 -9.217 3.676) 9.923 17.565 ( 0.000 -11.998 10.420) 15.891 18.110 ( 0.000 1.479 0.740) 1.654 18.244 ( 0.000 -1.155 -1.601) 1.974 18.844 ( 0.000 19.539 8.394) 21.266 19.104 ( 0.000 -9.091 -1.309) 9.185 19.126 ( 0.000 -7.279 -0.171) 7.281 19.785 ( 0.000 5.041 -5.546) 7.495 19.992 ( 0.000 0.664 -0.127) 0.676 20.217 ( 0.000 25.274 -27.449) 37.313 20.648 ( 0.000 2.642 5.341) 5.958 20.985 ( 0.000 -1.334 -2.740) 3.048 ======================= Grid point 109 (37/90) ======================= q-point: ( 0.11 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 12.980 13.616 7.005) 20.073 0.881 ( 16.817 12.789 9.781) 23.281 1.119 ( 8.971 28.803 4.435) 30.492 1.376 ( 15.819 24.096 0.806) 28.835 1.549 ( 1.809 11.108 -7.998) 13.807 1.925 ( -4.609 2.537 3.997) 6.607 2.081 ( 3.576 2.532 2.503) 5.046 2.262 ( 5.891 -2.427 -0.171) 6.374 2.493 ( 15.394 -1.200 -7.455) 17.146 2.719 ( 6.202 6.639 3.957) 9.910 2.876 ( 18.656 1.656 -3.760) 19.103 3.164 ( 4.381 -0.186 1.115) 4.524 3.381 ( 4.763 2.297 -9.208) 10.618 3.442 ( 5.404 0.019 4.176) 6.830 3.591 ( 5.523 1.928 -6.939) 9.076 3.731 ( 4.614 3.465 0.647) 5.807 4.074 ( 8.476 7.735 8.298) 14.160 4.259 ( -5.161 7.239 3.503) 9.555 5.049 ( 13.528 -4.329 -4.258) 14.828 5.155 ( 4.803 2.123 -8.502) 9.993 5.490 ( -10.310 1.248 0.650) 10.405 5.776 ( -5.218 -16.168 1.549) 17.059 5.852 ( 0.761 12.511 -11.251) 16.843 6.168 ( -4.902 8.277 -1.525) 9.740 6.433 ( 5.227 -5.578 2.312) 7.987 6.484 ( 13.341 -8.089 0.439) 15.608 7.048 ( -6.467 1.484 1.512) 6.805 7.084 ( -5.603 -7.374 9.830) 13.506 7.171 ( 1.654 0.550 -0.522) 1.819 7.451 ( -10.810 -1.135 14.486) 18.111 7.598 ( -6.524 0.330 10.918) 12.723 7.856 ( -7.164 1.906 0.492) 7.430 8.100 ( -3.114 0.571 -5.959) 6.747 8.118 ( -2.070 2.212 -3.152) 4.372 8.833 ( -9.760 -1.598 14.682) 17.703 9.611 ( -29.711 0.273 -3.290) 29.894 10.615 ( 3.410 -4.198 -0.135) 5.410 10.806 ( 12.623 -2.928 -0.375) 12.964 11.275 ( 1.070 -14.272 5.108) 15.196 11.450 ( 2.036 0.501 -5.428) 5.819 11.691 ( 43.622 -22.718 0.792) 49.190 12.434 ( -1.582 0.653 0.538) 1.794 12.543 ( -4.087 6.529 -2.029) 7.965 12.971 ( 2.495 -5.287 -6.145) 8.482 13.479 ( 0.409 -0.167 -8.958) 8.969 13.586 ( 30.487 10.952 -36.397) 48.726 15.637 ( -5.970 -11.947 15.556) 20.503 16.084 ( -8.439 -0.909 -2.180) 8.763 17.415 ( -3.855 -7.778 3.088) 9.214 17.627 ( 2.368 -7.257 9.569) 12.240 17.986 ( -10.422 3.576 -0.381) 11.025 18.059 ( -13.945 3.995 0.696) 14.522 18.753 ( -3.395 13.374 7.766) 15.834 19.063 ( -1.169 -10.994 -0.576) 11.071 19.237 ( 6.657 -3.891 -0.408) 7.721 19.779 ( -2.299 11.814 -10.786) 16.161 20.068 ( 8.323 -1.377 -1.681) 8.602 20.297 ( 5.630 13.855 -9.093) 17.503 20.650 ( 0.155 2.384 5.093) 5.625 20.971 ( -1.439 -0.996 -2.678) 3.199 ======================= Grid point 110 (38/90) ======================= q-point: ( 0.22 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 17.313 10.998 1.754) 20.585 1.223 ( 15.496 10.157 4.675) 19.109 1.365 ( 13.246 14.965 1.206) 20.022 1.463 ( -1.601 6.477 -8.253) 10.612 1.773 ( 2.239 5.893 3.062) 7.008 1.827 ( 7.371 4.115 2.388) 8.773 2.181 ( 4.138 0.201 1.064) 4.277 2.345 ( 2.987 -3.536 -1.240) 4.792 2.845 ( 11.343 -9.639 -1.345) 14.946 2.903 ( 13.936 0.777 -7.157) 15.686 3.190 ( 8.672 7.602 -4.296) 12.307 3.324 ( 12.498 -1.191 4.844) 13.457 3.457 ( 4.644 2.531 -8.826) 10.289 3.547 ( -5.865 1.668 -0.783) 6.148 3.619 ( 11.373 -6.273 -0.278) 12.991 3.985 ( 17.253 6.596 -1.964) 18.575 4.151 ( 9.053 4.907 7.448) 12.709 4.513 ( 19.281 10.525 4.061) 22.339 5.160 ( -1.209 -5.313 -0.842) 5.514 5.221 ( -0.761 -3.697 1.198) 3.960 5.334 ( -4.916 1.719 -3.506) 6.278 5.652 ( -4.134 -14.381 4.393) 15.595 5.856 ( -2.969 9.613 -5.432) 11.434 6.113 ( -4.493 1.471 5.147) 6.989 6.488 ( 7.851 -5.844 -2.139) 10.018 6.641 ( -6.918 5.703 -1.535) 9.096 6.952 ( -8.335 -5.234 8.213) 12.819 6.959 ( -2.541 -2.302 3.902) 5.194 7.086 ( -3.524 -3.793 4.606) 6.929 7.223 ( -1.822 3.906 1.372) 4.524 7.629 ( -8.331 2.052 0.298) 8.585 7.790 ( 3.698 -0.656 3.577) 5.186 7.978 ( -2.603 3.439 -3.487) 5.546 8.121 ( 1.362 1.753 -6.084) 6.477 8.724 ( -3.606 -0.517 4.970) 6.162 9.135 ( -16.423 3.628 -1.352) 16.873 10.635 ( 0.509 -3.511 1.276) 3.771 10.969 ( 2.961 -6.441 -3.197) 7.777 11.272 ( -1.980 -7.455 6.428) 10.041 11.345 ( -6.399 -2.397 -5.725) 8.915 12.401 ( -0.826 1.127 0.332) 1.436 12.463 ( -2.450 4.055 -1.564) 4.989 12.629 ( 42.502 -12.355 6.017) 44.669 12.946 ( -1.545 -13.192 2.938) 13.603 13.368 ( -8.007 0.847 -1.135) 8.131 14.231 ( 25.725 -1.599 -39.559) 47.215 15.487 ( -8.387 -9.030 10.301) 16.062 15.837 ( -15.115 -1.666 1.009) 15.240 17.351 ( -2.511 -5.358 -0.005) 5.917 17.582 ( -6.702 0.632 8.592) 10.915 17.778 ( -10.032 5.143 0.102) 11.274 17.842 ( -4.653 7.589 -0.311) 8.908 18.739 ( 1.353 -2.930 3.597) 4.833 19.044 ( -0.987 -12.944 0.007) 12.982 19.375 ( 6.527 0.541 -0.222) 6.553 19.714 ( -3.249 14.833 -7.811) 17.076 20.278 ( 10.764 -3.366 -0.975) 11.320 20.406 ( 4.755 6.581 -0.599) 8.141 20.655 ( 0.342 2.510 3.774) 4.545 20.929 ( -2.489 -1.067 -2.105) 3.430 ======================= Grid point 111 (39/90) ======================= q-point: ( 0.33 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 6.635 4.020 -3.463) 8.496 1.435 ( 9.293 6.024 -1.629) 11.194 1.531 ( 12.979 5.123 1.817) 14.071 1.613 ( 1.123 0.180 3.338) 3.526 1.709 ( 7.094 8.731 1.107) 11.304 2.047 ( 6.249 4.858 -4.065) 8.899 2.206 ( -2.109 -0.433 0.590) 2.233 2.373 ( -0.754 -2.081 -1.415) 2.627 2.979 ( 2.723 -7.582 -2.436) 8.416 3.162 ( 7.906 -4.307 -8.625) 12.468 3.291 ( -0.343 1.737 -2.245) 2.859 3.407 ( 5.699 3.744 -0.427) 6.832 3.560 ( 8.927 -1.987 2.855) 9.581 3.689 ( 13.340 2.709 -3.008) 13.941 3.932 ( 15.016 -9.763 -0.419) 17.916 4.244 ( 8.434 4.056 0.394) 9.367 4.504 ( 18.964 2.197 -1.031) 19.119 4.907 ( 14.789 5.814 1.551) 15.966 5.099 ( -3.597 -8.076 8.496) 12.261 5.128 ( -3.802 -2.144 7.779) 8.920 5.273 ( -1.075 -9.400 -0.812) 9.496 5.595 ( -0.874 -3.239 4.627) 5.715 5.777 ( -3.090 3.828 -1.105) 5.042 5.946 ( -8.636 0.479 9.333) 12.724 6.386 ( -11.023 13.889 0.401) 17.736 6.667 ( -14.338 -9.906 3.563) 17.787 6.808 ( -5.522 4.525 -0.456) 7.154 6.846 ( 14.037 -8.631 -6.529) 17.725 7.044 ( -4.453 0.655 -1.014) 4.614 7.218 ( -4.903 1.504 -8.343) 9.794 7.412 ( -11.847 5.993 -0.598) 13.291 7.837 ( 7.678 1.436 12.015) 14.330 7.926 ( -5.716 -6.040 -13.058) 15.481 8.291 ( 11.691 0.545 1.548) 11.805 8.642 ( -3.674 0.164 0.864) 3.777 8.923 ( -5.784 8.274 2.092) 10.309 10.660 ( 2.227 -5.634 -0.484) 6.078 10.962 ( -3.317 -6.340 -3.380) 7.913 11.182 ( -5.053 2.575 2.879) 6.360 11.244 ( -3.936 -7.611 -0.545) 8.586 12.422 ( 3.118 0.617 0.176) 3.183 12.474 ( 4.061 0.952 -1.230) 4.349 12.809 ( -5.949 -7.796 2.271) 10.066 13.155 ( -11.551 2.197 0.338) 11.763 13.546 ( 39.652 -11.915 5.473) 41.763 14.651 ( 16.445 -4.945 -23.270) 28.920 15.281 ( -12.855 -9.871 3.346) 16.549 15.493 ( -17.202 -1.308 4.016) 17.713 17.303 ( -2.242 -4.976 -0.815) 5.518 17.435 ( -6.735 0.628 4.762) 8.272 17.624 ( -3.806 9.500 -0.249) 10.237 17.778 ( -3.309 13.400 0.038) 13.803 18.792 ( 3.519 -15.414 0.691) 15.825 19.014 ( -2.117 -15.661 0.284) 15.806 19.493 ( 4.819 4.937 0.207) 6.902 19.658 ( -2.239 14.674 -3.058) 15.156 20.472 ( 7.282 -3.257 0.320) 7.984 20.489 ( 3.438 1.802 0.925) 3.990 20.667 ( 1.225 2.920 0.963) 3.310 20.874 ( -2.852 -1.278 -1.742) 3.578 ======================= Grid point 112 (40/90) ======================= q-point: ( 0.44 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 2.749 0.990 0.660) 2.995 1.509 ( -4.724 0.833 4.121) 6.324 1.700 ( 10.107 2.667 -3.529) 11.032 1.777 ( 5.642 -1.468 -0.635) 5.864 1.904 ( 8.292 4.072 -2.132) 9.481 2.095 ( -8.386 1.035 0.667) 8.476 2.151 ( 6.734 6.911 -3.451) 10.247 2.302 ( -6.166 1.666 -1.718) 6.614 3.014 ( 2.205 -2.649 -0.532) 3.487 3.099 ( -6.034 -1.253 2.086) 6.506 3.422 ( 7.581 -0.395 -9.928) 12.498 3.507 ( -0.044 0.429 -5.847) 5.863 3.821 ( 14.910 -1.938 2.238) 15.202 4.006 ( 16.968 -0.605 -3.278) 17.292 4.052 ( -4.004 -0.232 2.532) 4.743 4.307 ( -6.572 -3.518 -4.744) 8.836 4.755 ( 9.008 -13.468 -1.189) 16.246 4.945 ( -7.833 -13.087 8.295) 17.362 4.995 ( 1.079 -5.162 7.900) 9.498 5.072 ( -6.809 -12.989 6.967) 16.236 5.482 ( 14.644 7.339 4.924) 17.104 5.672 ( -6.880 0.294 6.205) 9.269 5.747 ( 15.182 -3.042 1.060) 15.520 5.952 ( 11.439 6.825 5.969) 14.597 6.141 ( -15.857 13.187 -1.914) 20.713 6.290 ( -18.143 -0.036 7.415) 19.600 6.765 ( 1.325 5.951 -1.369) 6.249 6.893 ( -10.305 -0.639 -0.165) 10.326 7.005 ( 1.681 1.818 -0.578) 2.543 7.109 ( -6.484 0.071 -4.634) 7.969 7.377 ( 13.430 1.172 -16.848) 21.578 7.686 ( -13.922 -4.517 -17.918) 23.136 8.125 ( 13.904 -5.668 11.755) 19.069 8.353 ( -6.857 -8.404 8.219) 13.609 8.683 ( 7.539 8.971 -1.531) 11.817 8.823 ( -5.331 9.950 1.694) 11.415 10.732 ( 4.810 -6.405 -1.879) 8.227 10.852 ( -6.445 -6.362 -2.836) 9.490 11.129 ( 0.032 0.560 1.798) 1.884 11.167 ( -3.242 -3.318 1.282) 4.813 12.520 ( 6.183 -1.711 -0.267) 6.421 12.620 ( 6.296 -1.136 -0.584) 6.425 12.681 ( -2.766 -3.048 0.539) 4.151 12.893 ( -13.255 1.857 0.272) 13.388 14.296 ( 32.970 -10.251 4.574) 34.829 14.885 ( -21.003 -9.964 1.231) 23.280 14.952 ( 8.901 -4.951 -9.282) 13.780 15.195 ( -12.240 -2.985 -0.240) 12.601 17.276 ( 0.163 -3.637 0.757) 3.719 17.320 ( -4.122 -1.459 2.450) 5.012 17.619 ( 2.529 13.453 -1.078) 13.731 17.696 ( -4.372 15.316 -0.862) 15.951 18.874 ( 4.236 -19.827 -0.115) 20.275 18.956 ( -3.528 -18.670 0.103) 19.000 19.571 ( 2.860 9.158 0.427) 9.603 19.618 ( -1.893 12.659 -0.375) 12.805 20.541 ( 1.839 0.384 1.359) 2.318 20.556 ( 0.871 -2.639 2.386) 3.663 20.725 ( 4.166 0.982 -2.048) 4.745 20.809 ( -3.673 -0.850 -1.930) 4.236 ======================= Grid point 117 (41/90) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 22.144 -4.495) 22.596 1.045 ( 0.000 17.032 6.113) 18.095 1.661 ( 0.000 12.819 -9.291) 15.832 1.763 ( 0.000 10.127 -13.118) 16.572 1.827 ( 0.000 31.017 -0.088) 31.017 1.919 ( 0.000 2.754 -5.369) 6.034 2.103 ( 0.000 8.192 7.352) 11.007 2.319 ( 0.000 12.287 11.050) 16.525 2.324 ( 0.000 -2.591 -3.676) 4.497 2.589 ( 0.000 -0.310 4.268) 4.279 3.078 ( 0.000 -0.536 4.639) 4.670 3.164 ( 0.000 28.822 6.600) 29.568 3.375 ( 0.000 3.364 0.270) 3.375 3.429 ( 0.000 3.536 5.526) 6.561 3.613 ( 0.000 5.917 -7.642) 9.665 3.754 ( 0.000 1.409 -0.785) 1.613 4.249 ( 0.000 13.202 5.079) 14.145 4.512 ( 0.000 7.677 8.781) 11.664 4.736 ( 0.000 -1.354 -7.952) 8.066 5.185 ( 0.000 4.419 -7.520) 8.722 5.622 ( 0.000 -9.690 6.946) 11.922 5.793 ( 0.000 -12.347 -2.843) 12.670 5.842 ( 0.000 11.224 -3.832) 11.860 6.045 ( 0.000 -6.709 -4.568) 8.117 6.378 ( 0.000 4.707 -3.567) 5.906 6.407 ( 0.000 7.951 -10.852) 13.453 6.957 ( 0.000 -13.087 9.977) 16.456 7.126 ( 0.000 4.921 -8.650) 9.952 7.213 ( 0.000 2.383 -3.206) 3.995 7.340 ( 0.000 -3.950 8.847) 9.689 7.752 ( 0.000 -9.704 7.807) 12.454 7.883 ( 0.000 -3.529 -0.656) 3.589 8.053 ( 0.000 -3.551 8.283) 9.012 8.280 ( 0.000 5.723 -0.679) 5.763 8.883 ( 0.000 -3.189 12.201) 12.611 9.898 ( 0.000 -24.719 -11.590) 27.301 10.542 ( 0.000 9.449 0.394) 9.457 10.602 ( 0.000 -3.298 -3.057) 4.497 10.858 ( 0.000 9.461 2.295) 9.735 10.874 ( 0.000 -15.630 6.657) 16.989 11.542 ( 0.000 -1.951 8.647) 8.865 12.462 ( 0.000 1.240 0.768) 1.459 12.754 ( 0.000 8.749 -3.726) 9.510 13.192 ( 0.000 5.114 -37.942) 38.286 13.198 ( 0.000 -0.904 4.215) 4.310 13.469 ( 0.000 -2.961 -4.566) 5.442 15.445 ( 0.000 -11.872 21.856) 24.872 16.151 ( 0.000 -1.971 -4.879) 5.262 17.311 ( 0.000 -7.815 4.427) 8.982 17.473 ( 0.000 -0.137 3.409) 3.412 18.154 ( 0.000 2.702 0.409) 2.733 18.233 ( 0.000 -0.194 -1.196) 1.212 18.890 ( 0.000 -12.161 -2.534) 12.422 18.928 ( 0.000 -9.719 -2.001) 9.923 19.284 ( 0.000 21.686 9.436) 23.650 19.824 ( 0.000 0.073 2.633) 2.634 19.987 ( 0.000 -1.364 0.513) 1.457 20.514 ( 0.000 8.554 -19.700) 21.477 20.720 ( 0.000 4.052 1.924) 4.486 20.947 ( 0.000 -2.558 -2.193) 3.369 ======================= Grid point 118 (42/90) ======================= q-point: ( 0.11 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 9.697 19.172 -3.533) 21.773 1.167 ( 10.454 15.236 5.154) 19.183 1.657 ( -3.520 1.436 -13.985) 14.493 1.705 ( -0.718 24.933 -2.231) 25.043 1.832 ( 3.318 11.169 -4.416) 12.460 2.043 ( 3.546 12.941 -0.829) 13.444 2.115 ( 1.364 8.825 5.233) 10.350 2.253 ( -1.479 0.092 5.498) 5.694 2.480 ( 10.791 1.062 -1.352) 10.927 2.674 ( 7.375 -3.175 3.508) 8.762 3.141 ( 5.725 -0.575 1.079) 5.854 3.212 ( 6.267 20.578 5.091) 22.105 3.394 ( 0.887 -1.799 1.278) 2.379 3.464 ( 2.041 3.520 -5.127) 6.546 3.669 ( 2.911 4.809 -7.200) 9.134 3.856 ( 10.412 7.887 3.614) 13.552 4.191 ( -3.707 4.345 9.229) 10.854 4.499 ( 5.815 16.451 5.673) 18.347 4.966 ( 13.140 -5.470 -2.858) 14.517 5.197 ( 0.280 2.042 -3.580) 4.131 5.450 ( -12.314 -14.616 2.597) 19.287 5.552 ( -10.834 3.682 -9.677) 14.986 5.933 ( 5.823 -3.539 -0.526) 6.835 6.314 ( -0.834 0.616 -4.343) 4.465 6.350 ( 2.257 7.198 -6.114) 9.711 6.446 ( 12.979 2.624 -1.019) 13.281 6.876 ( -6.607 -13.421 8.862) 17.387 7.111 ( -5.232 4.644 -1.808) 7.226 7.202 ( 0.696 2.232 -2.656) 3.539 7.400 ( 1.687 -3.391 6.733) 7.725 7.570 ( -10.736 -2.996 7.090) 13.210 7.842 ( -3.097 -4.127 -3.154) 6.047 8.067 ( 0.804 -1.314 4.347) 4.612 8.230 ( -4.224 6.088 -0.102) 7.410 8.822 ( -4.414 0.618 6.856) 8.177 9.526 ( -22.289 -9.573 -5.472) 24.868 10.509 ( 2.325 -6.803 -7.634) 10.486 10.863 ( 1.258 5.343 2.598) 6.073 10.931 ( 4.645 -13.850 5.793) 15.714 11.335 ( 45.197 -12.472 2.084) 46.933 11.488 ( -3.616 -0.010 7.892) 8.680 12.453 ( -1.307 1.262 1.706) 2.492 12.674 ( -6.257 6.284 -4.349) 9.877 12.917 ( -8.986 -0.590 -0.849) 9.046 13.449 ( -2.154 -2.437 -2.976) 4.408 13.665 ( 24.879 -1.538 -32.676) 41.098 15.406 ( -3.822 -11.326 17.935) 21.553 16.039 ( -10.303 -3.717 -2.205) 11.173 17.298 ( -0.763 -5.272 1.088) 5.437 17.534 ( 4.726 -1.551 6.294) 8.022 18.060 ( -8.164 4.079 -0.400) 9.135 18.083 ( -11.777 0.487 -0.212) 11.789 18.831 ( -2.598 -12.080 -1.394) 12.435 19.053 ( 4.587 -0.838 -0.554) 4.696 19.178 ( -4.450 12.700 6.381) 14.893 19.911 ( 4.119 3.490 -1.344) 5.563 20.036 ( 5.595 -2.007 -1.411) 6.109 20.508 ( -0.071 6.947 -10.414) 12.519 20.707 ( -0.543 3.043 2.622) 4.053 20.945 ( -0.803 -1.558 -2.315) 2.904 ======================= Grid point 119 (43/90) ======================= q-point: ( 0.22 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 13.479 13.873 -2.885) 19.557 1.408 ( 11.863 9.953 2.830) 15.742 1.556 ( -5.190 3.144 -9.212) 11.031 1.706 ( -0.804 14.299 -2.107) 14.475 1.904 ( 1.581 8.592 3.603) 9.450 2.062 ( 2.620 17.315 -0.544) 17.521 2.148 ( 2.147 -3.164 -0.619) 3.873 2.287 ( 3.447 -0.547 2.588) 4.344 2.681 ( 8.163 -6.599 2.525) 10.796 2.876 ( 10.050 -2.428 -9.560) 14.082 3.290 ( 10.099 -1.811 6.000) 11.885 3.368 ( 5.472 6.887 -2.483) 9.140 3.461 ( 3.474 -1.554 -2.917) 4.795 3.524 ( 7.009 0.813 -3.821) 8.024 3.615 ( -4.388 3.701 -0.406) 5.754 4.119 ( 11.103 3.784 0.368) 11.736 4.296 ( 14.064 10.536 9.163) 19.818 4.683 ( 10.600 4.762 7.584) 13.876 5.086 ( -3.915 -2.540 0.229) 4.672 5.181 ( -0.554 -3.238 2.847) 4.347 5.208 ( -10.503 -12.520 -0.369) 16.346 5.480 ( 3.554 1.215 -12.952) 13.485 5.990 ( -2.679 2.138 -5.459) 6.446 6.206 ( -9.330 4.252 5.630) 11.697 6.343 ( 4.927 -3.538 2.115) 6.423 6.682 ( -6.958 -7.832 0.685) 10.498 6.793 ( 4.089 -2.039 1.610) 4.845 6.977 ( -3.467 2.946 2.960) 5.428 7.081 ( -9.729 2.107 -0.140) 9.956 7.305 ( -2.136 3.809 1.741) 4.701 7.602 ( 1.979 -3.062 -0.104) 3.648 7.782 ( -0.880 -3.076 -6.524) 7.266 8.028 ( -6.209 3.114 1.605) 7.129 8.181 ( 1.719 3.231 3.418) 5.008 8.730 ( -4.238 1.554 -0.672) 4.564 9.191 ( -9.620 1.120 -0.824) 9.720 10.523 ( -0.441 -7.733 -7.068) 10.486 10.892 ( 0.833 -2.429 2.417) 3.526 11.009 ( 2.372 -12.497 5.207) 13.744 11.350 ( -7.306 -0.903 5.692) 9.306 12.321 ( 44.089 -15.970 4.732) 47.130 12.419 ( 1.557 0.017 -0.203) 1.570 12.553 ( -4.581 4.716 -1.991) 6.869 12.783 ( -4.793 -3.486 3.438) 6.852 13.368 ( -6.055 -0.622 -0.814) 6.141 14.139 ( 20.451 -7.759 -32.630) 39.283 15.287 ( -7.944 -10.791 9.677) 16.528 15.761 ( -16.137 -6.165 2.777) 17.497 17.282 ( -1.027 -2.239 -2.165) 3.280 17.598 ( -1.079 0.511 9.317) 9.393 17.856 ( -6.742 -2.023 -1.265) 7.152 17.918 ( -4.234 8.148 0.181) 9.184 18.762 ( -4.709 -11.859 -1.645) 12.865 18.937 ( -8.630 15.478 3.574) 18.078 19.307 ( 9.848 -6.997 -0.987) 12.121 19.914 ( -2.469 6.094 -4.447) 7.938 20.210 ( 9.595 -3.283 0.486) 10.153 20.527 ( 1.804 4.413 -1.361) 4.958 20.707 ( 0.280 2.622 0.847) 2.770 20.906 ( -2.819 -1.148 -0.965) 3.193 ======================= Grid point 120 (44/90) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -2.272 3.720 -4.202) 6.055 1.578 ( 9.683 7.354 -1.477) 12.249 1.612 ( 4.936 2.760 1.524) 5.856 1.663 ( 0.773 6.038 1.037) 6.175 1.922 ( 2.128 11.154 1.389) 11.440 2.156 ( 0.921 -0.569 -1.207) 1.621 2.199 ( 4.819 5.648 -3.849) 8.363 2.346 ( 1.628 0.379 -0.457) 1.733 2.811 ( 5.607 -8.667 1.348) 10.410 3.093 ( 10.231 -2.343 -9.579) 14.210 3.329 ( -5.878 0.898 0.464) 5.964 3.454 ( 5.594 1.652 -2.345) 6.287 3.550 ( 5.255 0.361 0.903) 5.344 3.684 ( 13.886 -6.033 -3.874) 15.627 3.812 ( 15.555 1.328 4.118) 16.145 4.258 ( 2.109 -3.139 0.495) 3.814 4.565 ( 7.548 4.212 -1.258) 8.734 4.780 ( -8.574 -17.948 6.131) 20.814 4.957 ( -5.798 -4.352 0.550) 7.271 5.079 ( -0.910 -7.560 6.616) 10.087 5.199 ( 7.509 6.787 2.526) 10.433 5.602 ( 6.788 -0.118 -5.726) 8.881 5.844 ( -9.705 1.151 -1.826) 9.943 5.988 ( -8.135 4.867 12.074) 15.351 6.441 ( -8.506 -10.037 1.630) 13.257 6.558 ( 2.709 -10.763 2.320) 11.338 6.683 ( -1.956 7.926 1.903) 8.382 6.937 ( -1.881 6.515 -2.080) 7.093 7.051 ( -0.002 0.004 -9.774) 9.774 7.291 ( -1.735 4.509 -3.945) 6.237 7.508 ( -8.065 3.686 -0.289) 8.872 7.768 ( -5.264 -7.193 -14.275) 16.829 7.909 ( 0.089 3.769 13.260) 13.786 8.257 ( 2.484 -3.458 6.801) 8.024 8.698 ( 2.978 4.993 -6.472) 8.700 9.086 ( -2.717 7.276 1.551) 7.920 10.527 ( 1.503 -7.223 -6.296) 9.699 10.862 ( -4.140 -3.547 -2.133) 5.853 11.041 ( 1.107 -11.307 8.418) 14.140 11.203 ( -6.456 -1.162 7.052) 9.631 12.408 ( 1.458 -1.885 -4.075) 4.720 12.520 ( 2.735 3.320 -0.587) 4.341 12.688 ( -4.573 -3.738 1.418) 6.074 13.165 ( -0.914 -3.904 3.517) 5.333 13.285 ( 31.924 -10.596 2.941) 33.765 14.504 ( 15.600 -10.036 -22.259) 28.975 15.066 ( -14.379 -11.549 2.214) 18.575 15.409 ( -17.295 -7.190 5.777) 19.601 17.255 ( -1.216 -0.288 -1.343) 1.834 17.480 ( -7.743 3.468 6.110) 10.455 17.802 ( 0.841 3.885 -3.029) 4.997 17.938 ( 3.534 6.184 2.672) 7.608 18.640 ( -6.152 -8.028 -3.395) 10.669 18.780 ( -6.765 1.004 2.628) 7.327 19.498 ( 8.440 -4.295 -0.374) 9.477 19.846 ( -3.827 4.731 -1.697) 6.318 20.388 ( 7.282 -3.818 2.337) 8.548 20.566 ( 1.456 3.965 -0.220) 4.229 20.711 ( 0.302 1.580 -1.850) 2.452 20.845 ( -2.838 -1.502 0.159) 3.215 ======================= Grid point 121 (45/90) ======================= q-point: ( 0.44 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 1.858 2.062 1.177) 3.015 1.531 ( -4.625 1.382 4.336) 6.489 1.755 ( 5.024 2.767 -2.816) 6.389 1.775 ( 3.436 1.188 -1.132) 3.808 1.994 ( 4.770 4.711 -1.435) 6.857 2.103 ( -4.834 -0.362 -0.777) 4.909 2.292 ( 3.638 6.539 -5.456) 9.261 2.347 ( -1.458 2.545 -3.598) 4.642 2.939 ( 6.658 -4.501 2.726) 8.487 3.083 ( -7.237 -0.080 3.522) 8.049 3.410 ( 8.942 -1.152 -9.426) 13.044 3.515 ( -0.785 0.047 -5.584) 5.639 3.757 ( 14.940 -4.065 1.337) 15.540 3.963 ( 8.817 -5.314 -1.661) 10.427 4.074 ( 5.061 2.924 3.292) 6.708 4.196 ( -4.462 -7.443 -2.659) 9.076 4.499 ( -7.906 -14.602 2.582) 16.805 4.568 ( -8.887 -14.407 -4.117) 17.421 4.909 ( 1.607 -3.537 5.333) 6.598 4.984 ( -5.263 -2.143 7.516) 9.422 5.525 ( 15.520 -4.895 3.253) 16.595 5.622 ( -3.260 -3.108 1.695) 4.812 5.684 ( -0.887 -3.483 4.369) 5.657 5.934 ( -9.313 -9.463 8.139) 15.573 6.291 ( 6.331 10.998 3.895) 13.275 6.506 ( -7.086 9.245 2.015) 11.821 6.811 ( 7.672 -0.302 -1.415) 7.807 6.944 ( -0.643 6.205 -1.694) 6.465 7.022 ( -0.913 -1.581 -2.864) 3.396 7.114 ( -10.795 2.415 -8.511) 13.958 7.443 ( 3.136 4.854 -9.923) 11.484 7.593 ( -9.600 -3.337 -15.232) 18.312 8.035 ( 9.126 -2.898 12.495) 15.742 8.208 ( -6.536 -6.147 9.360) 12.966 8.848 ( 9.344 7.262 -4.140) 12.537 9.010 ( -5.688 8.041 -0.084) 9.850 10.599 ( 5.527 -6.215 -5.588) 10.020 10.737 ( -7.225 -4.564 -4.595) 9.703 11.061 ( 1.140 -7.039 9.154) 11.604 11.103 ( -3.271 -3.293 8.627) 9.797 12.472 ( 4.598 -2.844 -4.071) 6.767 12.579 ( -5.216 -2.663 -2.017) 6.194 12.670 ( 10.474 1.712 0.067) 10.613 12.927 ( -13.423 1.633 0.662) 13.539 14.049 ( 34.153 -13.948 4.208) 37.131 14.657 ( -24.102 -12.529 1.602) 27.211 14.806 ( 12.715 -9.866 -10.091) 18.995 15.085 ( -14.258 -8.228 0.537) 16.471 17.257 ( 1.853 1.177 1.292) 2.547 17.336 ( -5.762 2.571 3.609) 7.269 17.873 ( 5.149 9.360 -3.431) 11.220 17.962 ( -2.172 10.422 -0.228) 10.648 18.573 ( 0.642 -10.607 -1.409) 10.720 18.650 ( -5.737 -8.478 1.606) 10.362 19.649 ( 6.284 -1.155 0.303) 6.396 19.760 ( -4.686 1.973 0.110) 5.086 20.504 ( 4.201 -2.067 2.391) 5.257 20.565 ( -1.680 1.624 1.144) 2.601 20.736 ( 2.253 0.129 -2.852) 3.637 20.790 ( -2.670 -0.913 -0.851) 2.948 ======================= Grid point 126 (46/90) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 5.718 -0.373) 5.730 1.374 ( 0.000 19.538 -6.644) 20.636 1.599 ( 0.000 -2.713 -8.271) 8.704 1.903 ( 0.000 4.275 -6.782) 8.017 2.091 ( 0.000 3.755 -1.387) 4.003 2.104 ( 0.000 0.271 1.109) 1.142 2.351 ( 0.000 3.712 6.068) 7.113 2.452 ( 0.000 18.976 1.318) 19.021 2.591 ( 0.000 4.695 6.597) 8.097 2.659 ( 0.000 23.884 3.866) 24.195 3.086 ( 0.000 0.956 -0.340) 1.014 3.397 ( 0.000 0.869 1.991) 2.173 3.442 ( 0.000 3.613 4.147) 5.500 3.622 ( 0.000 5.382 -8.073) 9.703 3.711 ( 0.000 -6.280 -0.507) 6.301 3.827 ( 0.000 14.253 -3.634) 14.709 4.307 ( 0.000 3.374 11.477) 11.963 4.721 ( 0.000 0.533 -4.379) 4.412 4.871 ( 0.000 20.966 4.130) 21.369 5.245 ( 0.000 0.995 -4.172) 4.289 5.493 ( 0.000 -1.699 8.521) 8.689 5.555 ( 0.000 -8.339 1.934) 8.561 5.938 ( 0.000 -6.187 -1.240) 6.310 6.114 ( 0.000 13.477 -10.027) 16.798 6.498 ( 0.000 7.622 -1.488) 7.766 6.565 ( 0.000 7.874 -10.295) 12.961 6.689 ( 0.000 -12.269 7.017) 14.133 7.204 ( 0.000 1.932 -10.070) 10.253 7.265 ( 0.000 2.943 -3.220) 4.362 7.279 ( 0.000 -1.628 3.580) 3.933 7.568 ( 0.000 -9.607 1.368) 9.704 7.787 ( 0.000 -6.454 -1.570) 6.643 7.986 ( 0.000 -2.141 17.119) 17.252 8.373 ( 0.000 3.728 2.921) 4.736 8.875 ( 0.000 0.836 2.818) 2.940 9.403 ( 0.000 -25.403 -9.782) 27.221 10.242 ( 0.000 -23.879 9.134) 25.566 10.731 ( 0.000 9.262 -2.165) 9.511 10.879 ( 0.000 7.251 0.239) 7.255 11.047 ( 0.000 9.595 -5.693) 11.156 11.493 ( 0.000 -2.668 12.098) 12.389 12.500 ( 0.000 2.808 4.706) 5.480 12.917 ( 0.000 7.734 -3.728) 8.586 13.154 ( 0.000 -6.359 -24.223) 25.043 13.186 ( 0.000 -0.352 2.969) 2.989 13.430 ( 0.000 -1.565 -11.025) 11.136 15.237 ( 0.000 -9.514 21.516) 23.526 16.093 ( 0.000 -3.866 -6.022) 7.156 17.192 ( 0.000 -4.546 4.941) 6.715 17.508 ( 0.000 3.083 -1.166) 3.296 18.206 ( 0.000 2.410 0.706) 2.511 18.230 ( 0.000 -0.190 -0.060) 0.199 18.658 ( 0.000 -11.273 -1.982) 11.446 18.747 ( 0.000 -8.219 -2.520) 8.597 19.674 ( 0.000 17.752 8.674) 19.758 19.806 ( 0.000 -1.570 3.651) 3.974 19.943 ( 0.000 -2.898 0.439) 2.931 20.638 ( 0.000 5.024 -12.504) 13.475 20.782 ( 0.000 2.128 0.084) 2.130 20.888 ( 0.000 -3.491 -1.291) 3.722 ======================= Grid point 127 (47/90) ======================= q-point: ( 0.11 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 10.663 6.991 -1.462) 12.834 1.435 ( 5.717 17.613 -4.965) 19.171 1.582 ( -1.623 -2.310 -9.534) 9.944 1.912 ( 0.030 5.067 -7.825) 9.323 2.064 ( -0.858 1.877 0.802) 2.215 2.116 ( 0.590 1.911 0.156) 2.006 2.267 ( -4.923 3.312 7.946) 9.917 2.542 ( -1.682 11.496 6.428) 13.278 2.586 ( 4.185 18.596 -1.190) 19.098 2.707 ( 5.895 9.657 2.999) 11.705 3.120 ( 3.381 -0.473 1.214) 3.623 3.348 ( -3.291 -2.187 1.808) 4.345 3.458 ( 2.513 3.989 2.097) 5.160 3.599 ( -1.010 7.452 -6.651) 10.039 3.728 ( 0.659 -0.352 -5.626) 5.675 3.950 ( 7.496 -0.729 -1.215) 7.629 4.310 ( 3.765 10.443 12.286) 16.558 4.781 ( 0.154 1.480 -0.408) 1.543 4.859 ( 2.310 5.539 3.263) 6.831 5.240 ( -0.912 2.940 0.061) 3.079 5.300 ( -12.023 -0.925 3.883) 12.668 5.539 ( -3.080 -4.501 -8.527) 10.122 5.912 ( 2.278 2.513 2.950) 4.495 6.379 ( 5.623 0.053 -1.815) 5.909 6.409 ( 1.049 4.217 -9.483) 10.431 6.600 ( 1.190 -2.159 2.115) 3.249 6.612 ( -4.050 1.140 2.015) 4.665 7.202 ( -4.791 3.717 -1.770) 6.317 7.248 ( -1.022 2.194 -4.231) 4.874 7.340 ( 6.212 -2.186 -0.249) 6.591 7.492 ( -6.180 -4.870 1.186) 7.957 7.716 ( -3.206 -7.842 -2.757) 8.909 8.045 ( 3.593 -0.856 12.085) 12.637 8.329 ( -4.067 3.981 3.313) 6.586 8.847 ( -2.749 1.475 0.475) 3.156 9.270 ( -8.950 -15.416 -5.886) 18.772 10.246 ( 2.808 -17.916 3.446) 18.460 10.849 ( 0.483 3.891 -0.389) 3.940 10.991 ( -3.752 5.616 -3.744) 7.722 11.176 ( 28.653 -4.000 -0.259) 28.932 11.479 ( 1.477 -0.652 13.588) 13.683 12.484 ( -2.050 1.986 4.476) 5.309 12.769 ( -9.430 3.519 -7.586) 12.604 12.948 ( -8.293 3.428 0.126) 8.975 13.388 ( 0.610 -3.738 -0.903) 3.893 13.584 ( 17.888 -5.658 -26.578) 32.533 15.205 ( -3.301 -9.191 17.925) 20.413 15.945 ( -13.200 -5.732 -3.242) 14.752 17.209 ( 1.650 -3.658 3.259) 5.169 17.550 ( 3.136 2.392 -0.352) 3.960 18.087 ( -11.703 0.552 1.009) 11.760 18.152 ( -4.035 4.764 0.355) 6.253 18.611 ( -3.232 -10.312 -1.159) 10.869 18.881 ( 10.131 -10.357 -2.388) 14.683 19.516 ( -9.875 14.946 7.088) 19.264 19.965 ( 7.736 3.393 1.243) 8.538 19.990 ( 4.773 -2.667 -0.766) 5.521 20.583 ( -4.186 1.115 -7.283) 8.473 20.754 ( -0.550 1.877 0.542) 2.030 20.917 ( 0.631 -1.261 -1.956) 2.411 ======================= Grid point 128 (48/90) ======================= q-point: ( 0.22 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -1.052 0.721 -7.274) 7.384 1.580 ( 7.787 12.283 -3.605) 14.984 1.627 ( 8.248 8.491 -1.246) 11.902 1.863 ( -4.854 5.146 -4.737) 8.513 2.048 ( -1.091 -4.804 1.042) 5.035 2.140 ( 0.800 10.139 0.936) 10.213 2.191 ( -0.376 -1.657 4.812) 5.103 2.522 ( -2.002 16.418 1.055) 16.574 2.605 ( 1.877 1.781 3.732) 4.541 2.874 ( 8.241 3.501 -8.814) 12.564 3.255 ( 9.895 -1.622 6.915) 12.181 3.328 ( 1.744 -3.047 -0.760) 3.592 3.520 ( 1.991 -1.540 -2.820) 3.780 3.581 ( -3.148 5.358 -4.103) 7.447 3.712 ( 2.607 4.999 2.994) 6.383 4.081 ( 5.006 -6.986 -0.199) 8.597 4.489 ( 9.750 4.404 4.188) 11.489 4.698 ( -4.889 1.221 5.920) 7.775 4.922 ( 0.613 -7.251 1.855) 7.510 5.066 ( -9.163 -0.102 2.343) 9.459 5.263 ( 2.313 3.900 0.105) 4.536 5.490 ( -0.944 -1.876 -13.279) 13.444 5.944 ( -1.959 -5.123 2.845) 6.179 6.219 ( -7.463 1.688 1.974) 7.902 6.422 ( -11.095 -4.532 7.927) 14.369 6.465 ( -3.345 0.556 -0.761) 3.475 6.825 ( 11.940 2.116 -7.038) 14.020 7.066 ( -8.068 5.106 0.683) 9.573 7.135 ( -6.489 2.902 -2.136) 7.422 7.352 ( -1.569 0.806 2.796) 3.306 7.540 ( 5.733 -2.983 -3.031) 7.138 7.680 ( -0.700 -5.803 -8.427) 10.255 8.085 ( -1.340 2.063 8.633) 8.977 8.232 ( -3.841 2.392 7.177) 8.484 8.779 ( -2.593 2.827 -6.174) 7.269 9.164 ( -1.017 -3.466 -0.788) 3.697 10.339 ( 4.836 -10.416 -3.280) 11.943 10.798 ( -3.084 -4.029 4.987) 7.114 10.943 ( -1.788 2.220 -3.059) 4.181 11.302 ( -6.165 -3.711 8.437) 11.089 12.048 ( 39.621 -11.669 5.063) 41.612 12.432 ( -0.719 1.624 -1.457) 2.297 12.626 ( -4.828 2.451 -1.065) 5.518 12.790 ( -6.448 3.485 2.973) 7.909 13.353 ( -3.688 -0.653 -0.438) 3.771 13.951 ( 16.912 -11.029 -26.830) 33.579 15.094 ( -7.828 -8.539 9.739) 15.134 15.611 ( -18.238 -8.774 2.413) 20.382 17.251 ( 1.991 -1.146 -0.259) 2.312 17.594 ( 0.638 -0.797 1.975) 2.224 17.840 ( -10.898 1.077 2.437) 11.219 18.101 ( 0.178 10.129 0.721) 10.156 18.523 ( -5.397 -11.447 -1.443) 12.738 19.110 ( 11.236 -9.980 -1.871) 15.145 19.295 ( -11.561 15.769 3.103) 19.798 19.981 ( -3.628 1.435 -3.199) 5.045 20.161 ( 8.637 -1.524 2.072) 9.012 20.550 ( 1.658 -2.014 -1.273) 2.903 20.755 ( 0.023 2.460 -1.242) 2.756 20.890 ( -2.926 -0.530 -0.166) 2.978 ======================= Grid point 129 (49/90) ======================= q-point: ( 0.33 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -1.728 1.359 -2.376) 3.238 1.684 ( -4.369 6.346 1.866) 7.928 1.727 ( 5.584 6.200 -2.560) 8.728 1.782 ( 0.916 6.060 -0.544) 6.153 2.033 ( -0.522 -2.909 -0.223) 2.964 2.123 ( -0.877 2.290 3.760) 4.489 2.273 ( 5.344 0.123 -4.159) 6.773 2.462 ( -3.727 7.673 -2.832) 8.989 2.681 ( 6.639 -1.959 2.896) 7.504 3.086 ( 11.806 1.754 -9.181) 15.058 3.315 ( -4.959 -0.816 1.696) 5.304 3.473 ( 3.831 -3.262 -1.029) 5.136 3.513 ( 7.426 -3.822 0.718) 8.383 3.572 ( 3.980 -2.048 -4.122) 6.084 3.913 ( 14.481 5.864 7.655) 17.398 4.120 ( -2.282 -10.610 -0.005) 10.853 4.460 ( -10.562 -11.648 -1.867) 15.834 4.685 ( -1.634 8.472 1.314) 8.727 4.878 ( -5.547 -4.236 2.285) 7.344 4.953 ( 0.640 -5.183 5.196) 7.367 5.296 ( 0.795 2.410 0.561) 2.599 5.520 ( 2.921 -8.927 -6.489) 11.416 5.778 ( -12.429 -7.807 0.616) 14.690 6.051 ( -11.928 -0.003 5.270) 13.041 6.283 ( 0.722 -12.106 7.010) 14.008 6.412 ( 0.806 7.722 3.461) 8.500 6.911 ( 0.201 10.529 -2.683) 10.868 6.968 ( -2.942 -3.836 -3.966) 6.253 7.074 ( -0.993 3.320 -10.591) 11.144 7.357 ( 1.062 1.953 1.000) 2.438 7.550 ( -3.935 0.504 0.704) 4.029 7.674 ( -1.943 -1.358 -12.121) 12.350 7.992 ( -3.476 4.203 12.020) 13.200 8.199 ( -1.496 -1.627 10.316) 10.550 8.796 ( 4.614 4.251 -9.567) 11.441 9.166 ( -0.634 0.577 0.116) 0.865 10.414 ( 3.254 -3.641 -7.162) 8.668 10.797 ( 1.799 -6.835 7.024) 9.964 10.877 ( -4.008 -1.381 -1.076) 4.374 11.157 ( -7.001 -2.987 9.817) 12.422 12.371 ( 1.419 -1.714 -7.596) 7.915 12.562 ( 2.427 -0.052 -0.448) 2.469 12.668 ( -4.907 1.328 1.791) 5.390 12.943 ( 30.638 -11.943 7.820) 33.801 13.259 ( -0.321 2.447 -0.021) 2.469 14.278 ( 15.321 -12.682 -19.722) 28.009 14.865 ( -15.305 -8.290 1.973) 17.517 15.231 ( -18.065 -10.627 6.391) 21.911 17.275 ( 0.590 2.086 -1.336) 2.546 17.551 ( -6.336 3.095 5.957) 9.231 17.720 ( 1.820 -6.623 -1.732) 7.084 18.145 ( 1.569 10.659 1.673) 10.903 18.416 ( -2.806 -9.152 -2.340) 9.854 19.021 ( -13.492 16.444 0.555) 21.278 19.349 ( 10.441 -10.330 -0.909) 14.716 19.863 ( -6.913 -2.340 -0.796) 7.342 20.328 ( 7.644 -2.351 3.325) 8.661 20.613 ( 3.070 0.541 -1.522) 3.469 20.732 ( -2.375 0.870 -2.743) 3.731 20.825 ( -2.634 -0.451 1.337) 2.988 ======================= Grid point 130 (50/90) ======================= q-point: ( 0.44 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 1.091 2.109 2.190) 3.230 1.566 ( -4.972 2.486 4.472) 7.135 1.805 ( 2.328 2.336 -1.575) 3.655 1.824 ( 0.835 3.857 -0.955) 4.060 2.041 ( 1.743 -0.875 -0.760) 2.093 2.091 ( -2.396 -0.287 1.335) 2.758 2.354 ( 2.391 -0.237 -5.967) 6.433 2.394 ( -2.352 1.007 -5.940) 6.468 2.882 ( 11.578 0.083 4.254) 12.335 3.104 ( -9.417 2.533 3.957) 10.524 3.363 ( 9.225 -3.618 -6.058) 11.614 3.483 ( -2.006 -4.071 -2.317) 5.095 3.677 ( 8.762 -4.719 -2.042) 10.159 3.803 ( 12.111 -9.726 -4.211) 16.093 3.965 ( -8.174 -12.140 -2.222) 14.803 4.191 ( -11.880 -12.616 -5.760) 18.261 4.239 ( 11.900 10.099 6.292) 16.829 4.508 ( -11.887 4.482 4.727) 13.555 4.860 ( 2.492 -1.836 2.315) 3.865 4.932 ( -3.341 -4.009 3.406) 6.232 5.355 ( 4.787 -8.553 1.668) 9.942 5.503 ( -9.670 -12.453 2.318) 15.936 5.597 ( 4.132 -3.466 2.841) 6.096 5.792 ( -12.361 -4.266 7.573) 15.110 6.396 ( 8.150 -10.173 -0.211) 13.037 6.480 ( 1.883 0.855 1.258) 2.421 6.923 ( 0.917 -4.545 -5.908) 7.510 6.986 ( 1.966 11.446 -0.009) 11.614 7.024 ( 1.054 3.523 -9.470) 10.159 7.236 ( -12.566 8.524 -0.292) 15.187 7.522 ( 2.299 2.746 -4.816) 6.002 7.593 ( -4.341 2.303 -9.150) 10.386 8.022 ( 4.918 1.422 12.464) 13.475 8.132 ( -4.858 -1.364 11.174) 12.261 8.940 ( 8.355 2.012 -6.427) 10.731 9.097 ( -6.095 0.634 -2.259) 6.531 10.520 ( 7.355 -1.702 -5.647) 9.428 10.695 ( -8.816 0.138 -4.130) 9.736 10.919 ( 5.119 -6.907 9.199) 12.590 11.029 ( -5.631 -3.491 9.471) 11.558 12.428 ( 4.587 -1.329 -5.765) 7.486 12.545 ( -6.190 -0.452 -2.311) 6.623 12.703 ( 10.263 0.755 -0.110) 10.292 12.945 ( -11.874 -0.431 0.811) 11.910 13.806 ( 34.379 -9.751 4.184) 35.979 14.437 ( -26.318 -9.276 1.674) 27.956 14.587 ( 14.802 -12.025 -8.993) 21.084 14.892 ( -15.191 -11.073 1.360) 18.848 17.304 ( 2.874 3.368 1.217) 4.592 17.403 ( -6.588 3.972 3.965) 8.655 17.853 ( 9.274 -7.988 -2.992) 12.600 18.054 ( -9.097 -3.990 -1.974) 10.128 18.503 ( 9.763 7.185 0.359) 12.128 18.744 ( -13.053 13.433 0.618) 18.740 19.547 ( 8.812 -8.602 -0.049) 12.314 19.714 ( -7.621 -5.985 0.339) 9.696 20.473 ( 6.541 -1.238 2.853) 7.243 20.595 ( -4.890 1.164 1.150) 5.157 20.728 ( 2.437 -0.836 -3.018) 3.968 20.780 ( -2.250 -0.104 -0.946) 2.443 ======================= Grid point 135 (51/90) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.000 4.643 -1.114) 4.775 1.613 ( 0.000 1.111 3.275) 3.458 1.689 ( 0.000 12.652 -3.385) 13.097 1.931 ( 0.000 -1.035 -1.373) 1.719 2.035 ( 0.000 -4.763 1.451) 4.979 2.146 ( 0.000 2.070 -3.661) 4.206 2.292 ( 0.000 -5.779 13.935) 15.085 2.785 ( 0.000 9.668 1.062) 9.726 2.795 ( 0.000 17.932 -2.262) 18.074 3.085 ( 0.000 15.973 -5.853) 17.011 3.120 ( 0.000 3.292 1.779) 3.742 3.413 ( 0.000 1.510 4.847) 5.077 3.465 ( 0.000 -4.468 3.315) 5.564 3.573 ( 0.000 -3.683 -0.506) 3.718 3.592 ( 0.000 -7.084 -13.171) 14.955 3.824 ( 0.000 -8.391 -2.036) 8.635 4.584 ( 0.000 17.177 1.148) 17.216 4.755 ( 0.000 2.251 -3.451) 4.121 5.190 ( 0.000 12.882 6.380) 14.376 5.225 ( 0.000 -1.955 2.277) 3.001 5.514 ( 0.000 2.764 3.044) 4.112 5.574 ( 0.000 9.123 5.171) 10.487 5.770 ( 0.000 -11.635 5.788) 12.996 6.133 ( 0.000 -12.236 -0.736) 12.258 6.620 ( 0.000 6.134 -1.889) 6.419 6.706 ( 0.000 11.117 -2.178) 11.328 6.719 ( 0.000 8.197 -7.158) 10.882 7.189 ( 0.000 -2.870 -9.590) 10.010 7.279 ( 0.000 0.315 -0.940) 0.992 7.322 ( 0.000 2.727 -2.919) 3.995 7.381 ( 0.000 -8.281 1.803) 8.475 7.647 ( 0.000 -7.076 -2.304) 7.442 7.992 ( 0.000 2.113 14.629) 14.781 8.430 ( 0.000 2.513 6.734) 7.188 8.886 ( 0.000 0.090 -0.111) 0.143 8.949 ( 0.000 -20.094 -6.813) 21.218 9.850 ( 0.000 -14.838 11.668) 18.876 10.872 ( 0.000 4.817 -8.914) 10.133 11.015 ( 0.000 5.692 0.756) 5.742 11.214 ( 0.000 6.958 -10.208) 12.354 11.449 ( 0.000 -1.693 12.193) 12.310 12.564 ( 0.000 3.332 10.417) 10.937 13.018 ( 0.000 -6.397 -19.716) 20.727 13.044 ( 0.000 5.149 -2.823) 5.872 13.180 ( 0.000 -0.397 1.717) 1.762 13.398 ( 0.000 -1.580 -12.407) 12.507 15.086 ( 0.000 -5.696 20.744) 21.512 16.016 ( 0.000 -3.432 -6.887) 7.694 17.130 ( 0.000 -1.943 5.233) 5.582 17.572 ( 0.000 3.055 -4.417) 5.371 18.225 ( 0.000 -0.243 1.143) 1.169 18.240 ( 0.000 0.961 1.350) 1.657 18.476 ( 0.000 -6.858 -0.422) 6.871 18.623 ( 0.000 -4.408 -2.645) 5.141 19.775 ( 0.000 -1.300 2.679) 2.978 19.888 ( 0.000 -2.045 -0.295) 2.066 19.955 ( 0.000 10.301 7.816) 12.931 20.719 ( 0.000 3.352 -9.007) 9.611 20.803 ( 0.000 0.122 -0.695) 0.706 20.819 ( 0.000 -3.196 -0.364) 3.216 ======================= Grid point 136 (52/90) ======================= q-point: ( 0.11 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 9.134 3.517 -4.422) 10.740 1.613 ( 0.941 2.190 2.570) 3.505 1.729 ( 2.820 11.085 -4.025) 12.126 1.949 ( 1.217 -1.780 -1.865) 2.851 2.042 ( -1.264 -2.326 1.468) 3.027 2.113 ( -0.494 0.203 -0.328) 0.627 2.274 ( -0.952 -2.196 11.260) 11.511 2.699 ( -6.962 7.037 -0.542) 9.914 2.888 ( 5.861 13.488 -1.616) 14.795 3.060 ( -3.062 17.491 -3.642) 18.126 3.144 ( 2.257 3.109 2.445) 4.554 3.326 ( -2.947 0.551 1.294) 3.266 3.489 ( -0.639 -0.287 3.359) 3.432 3.618 ( 1.723 -4.439 -8.585) 9.817 3.640 ( 4.680 -7.401 -0.815) 8.795 3.828 ( 1.269 -9.300 -0.958) 9.435 4.529 ( -3.166 8.592 -2.805) 9.577 4.726 ( -2.427 -1.378 -2.727) 3.902 5.072 ( -6.565 11.474 11.965) 17.831 5.330 ( 2.598 4.297 0.025) 5.021 5.336 ( -11.924 3.765 3.553) 12.999 5.481 ( -2.557 -0.395 -0.474) 2.630 5.913 ( 0.222 -4.063 7.582) 8.605 6.220 ( 9.887 -11.541 0.682) 15.213 6.491 ( -9.507 4.381 -1.755) 10.614 6.594 ( -5.426 6.636 -4.873) 9.860 6.808 ( 2.788 8.149 -2.285) 8.911 7.206 ( -3.242 -3.153 -5.441) 7.075 7.264 ( -1.817 -0.968 -3.022) 3.657 7.342 ( 5.790 1.794 -1.755) 6.311 7.407 ( 0.975 -2.485 -2.248) 3.490 7.575 ( -3.891 -5.923 -1.607) 7.267 8.046 ( 4.047 0.967 12.924) 13.577 8.390 ( -3.996 2.502 7.625) 8.965 8.846 ( -2.579 -3.143 -4.839) 6.321 8.999 ( 4.012 -9.555 -3.378) 10.900 9.944 ( 8.726 -11.499 9.309) 17.176 10.945 ( -2.492 4.320 -10.192) 11.347 11.057 ( -0.957 1.238 -3.836) 4.143 11.162 ( 7.266 1.400 -2.544) 7.825 11.473 ( 4.355 0.117 14.468) 15.110 12.527 ( -3.013 2.168 8.392) 9.176 12.822 ( -9.632 1.965 -11.695) 15.278 13.025 ( -5.740 3.870 -0.118) 6.924 13.309 ( 5.139 -4.116 -0.425) 6.597 13.481 ( 9.698 -4.278 -19.502) 22.196 15.062 ( -2.526 -5.234 17.719) 18.648 15.838 ( -15.765 -4.644 -4.576) 17.060 17.158 ( 2.688 -1.593 4.406) 5.401 17.601 ( 1.271 2.314 -5.446) 6.052 18.103 ( -9.998 1.095 3.611) 10.686 18.241 ( 0.648 4.041 1.156) 4.252 18.442 ( -3.531 -6.723 -0.265) 7.599 18.699 ( 7.217 -7.656 -2.693) 10.860 19.700 ( -5.657 4.387 4.786) 8.611 19.940 ( 4.454 -2.151 -0.702) 4.996 20.077 ( 8.162 7.462 2.439) 11.325 20.558 ( -10.560 -3.121 -4.074) 11.741 20.789 ( 0.672 1.682 -0.603) 1.909 20.897 ( 1.719 -0.840 -2.335) 3.019 ======================= Grid point 137 (53/90) ======================= q-point: ( 0.22 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -0.100 1.515 -1.955) 2.475 1.752 ( 9.482 4.557 -5.556) 11.897 1.787 ( 3.793 6.356 -1.161) 7.492 1.940 ( -2.310 -4.397 1.629) 5.227 1.978 ( -4.486 5.463 -1.656) 7.260 2.131 ( 1.241 -3.165 3.570) 4.929 2.279 ( 0.426 3.772 5.014) 6.289 2.534 ( -7.400 -2.100 0.684) 7.722 2.927 ( -5.806 16.221 -3.059) 17.498 3.006 ( 3.465 8.760 -6.421) 11.401 3.218 ( 4.732 -1.765 2.810) 5.780 3.347 ( 3.595 5.179 1.533) 6.488 3.470 ( -0.906 -3.290 -0.344) 3.430 3.608 ( -3.665 -1.732 1.526) 4.332 3.732 ( 6.559 -3.359 1.370) 7.495 3.881 ( 2.526 -12.412 0.236) 12.669 4.484 ( -2.899 1.593 -6.191) 7.019 4.720 ( 4.094 -4.795 -3.704) 7.312 4.962 ( -3.668 10.157 8.534) 13.764 5.098 ( -11.716 3.245 4.369) 12.918 5.281 ( -5.226 -1.919 0.819) 5.627 5.449 ( -2.437 -0.909 -3.949) 4.729 5.787 ( -10.213 -11.008 9.092) 17.554 6.280 ( -7.188 4.247 0.416) 8.359 6.340 ( -7.862 1.166 1.110) 8.025 6.539 ( 2.730 1.382 -1.284) 3.319 6.836 ( -0.411 -2.632 -3.971) 4.782 7.117 ( -3.083 1.715 -4.948) 6.076 7.210 ( -2.871 4.003 -2.775) 5.654 7.348 ( -1.978 -0.066 3.814) 4.297 7.489 ( 3.767 -3.410 -0.889) 5.158 7.607 ( 5.986 -0.972 -8.843) 10.723 8.109 ( 0.706 0.756 10.211) 10.263 8.278 ( -5.740 2.113 11.914) 13.392 8.813 ( -0.147 0.405 -9.548) 9.558 9.089 ( 3.968 -3.320 -1.526) 5.394 10.176 ( 12.782 -5.555 3.263) 14.314 10.757 ( -10.970 -1.078 -5.567) 12.349 11.012 ( -1.615 4.387 -1.536) 4.921 11.220 ( -4.888 -4.395 5.852) 8.801 11.874 ( 30.407 -6.156 4.671) 31.373 12.486 ( 0.021 3.674 1.492) 3.965 12.642 ( -6.792 -0.889 -3.175) 7.550 12.890 ( -6.820 5.938 2.649) 9.423 13.346 ( -0.554 -0.084 -0.572) 0.801 13.738 ( 13.881 -9.943 -21.077) 27.125 14.973 ( -6.436 -3.711 10.851) 13.151 15.447 ( -20.942 -7.200 0.292) 22.147 17.236 ( 4.682 -0.404 1.894) 5.067 17.576 ( -3.344 -0.821 -5.473) 6.466 17.883 ( -10.642 2.784 6.811) 12.938 18.295 ( 2.701 8.189 2.380) 8.945 18.339 ( -4.034 -5.916 -1.930) 7.416 18.893 ( 10.954 -10.859 -2.324) 15.599 19.553 ( -8.925 9.477 2.865) 13.330 19.984 ( -4.888 -0.703 -4.870) 6.936 20.169 ( 3.051 2.564 3.808) 5.513 20.470 ( 4.047 -5.484 -0.684) 6.850 20.800 ( 0.004 2.032 -1.290) 2.407 20.879 ( -2.984 -0.687 -0.615) 3.124 ======================= Grid point 138 (54/90) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -0.690 1.330 0.786) 1.692 1.789 ( -3.378 2.366 1.708) 4.464 1.822 ( -5.949 2.878 1.716) 6.828 1.916 ( 2.838 7.881 -1.301) 8.477 1.955 ( 2.820 -1.898 -2.123) 4.008 2.135 ( -1.687 -1.461 3.512) 4.161 2.285 ( 1.265 1.321 -1.798) 2.565 2.421 ( -4.518 -7.442 0.169) 8.708 2.835 ( -0.201 11.553 -1.119) 11.609 3.145 ( 8.796 3.680 -8.131) 12.531 3.339 ( 4.676 -6.330 -1.616) 8.034 3.355 ( -2.368 4.710 -0.077) 5.272 3.458 ( 0.626 -2.636 0.976) 2.880 3.529 ( -1.705 -3.633 1.857) 4.422 3.857 ( -3.904 -14.917 -0.151) 15.420 3.967 ( 12.903 -0.525 5.915) 14.204 4.400 ( -4.620 3.260 -6.591) 8.684 4.790 ( -4.384 -1.738 1.153) 4.855 4.882 ( -4.186 2.956 4.847) 7.054 4.923 ( -1.304 8.836 5.088) 10.279 5.221 ( 0.806 -12.686 -4.184) 13.382 5.364 ( -4.680 -2.361 -0.961) 5.329 5.558 ( -10.722 -13.251 5.806) 18.007 6.051 ( -15.702 0.251 -0.551) 15.714 6.160 ( -5.092 -1.231 5.111) 7.319 6.573 ( -2.963 4.590 1.447) 5.652 6.797 ( 0.084 -7.073 -6.357) 9.511 7.094 ( -0.976 3.174 -11.629) 12.094 7.187 ( 1.075 9.832 -0.097) 9.891 7.368 ( 3.320 -0.329 4.189) 5.355 7.523 ( 0.104 -3.457 1.945) 3.968 7.697 ( 0.469 2.226 -9.260) 9.536 8.053 ( -3.099 1.847 9.734) 10.381 8.210 ( -1.963 2.464 15.259) 15.581 8.846 ( 3.229 0.931 -10.738) 11.252 9.127 ( -0.906 -3.433 -1.552) 3.875 10.402 ( 7.226 2.277 -5.281) 9.235 10.642 ( 2.613 -7.593 3.113) 8.612 10.922 ( -8.169 3.360 -0.291) 8.838 11.107 ( -4.859 -1.811 6.296) 8.156 12.341 ( 8.245 -1.462 -8.470) 11.910 12.503 ( 3.463 -4.756 -3.504) 6.848 12.715 ( -0.615 2.635 4.630) 5.363 12.804 ( 13.418 -2.599 8.596) 16.146 13.320 ( 1.432 3.321 -0.419) 3.641 14.040 ( 15.620 -10.711 -15.989) 24.786 14.772 ( -14.722 -0.998 2.926) 15.043 15.020 ( -19.458 -10.419 5.451) 22.735 17.328 ( 3.344 3.242 -1.102) 4.786 17.534 ( 1.080 -4.762 -1.414) 5.084 17.677 ( -8.996 2.204 5.457) 10.751 18.142 ( -10.400 -6.652 -1.736) 12.467 18.486 ( 10.940 11.763 1.487) 16.133 19.123 ( 11.106 -11.824 -1.600) 16.301 19.327 ( -13.026 14.010 0.155) 19.131 19.775 ( -11.658 -6.331 -1.281) 13.327 20.295 ( 7.595 -1.090 4.201) 8.748 20.596 ( 6.222 -1.514 -2.312) 6.808 20.751 ( -5.375 0.896 -0.940) 5.530 20.821 ( -1.748 -0.124 -0.059) 1.753 ======================= Grid point 139 (55/90) ======================= q-point: ( 0.44 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 1.721 1.946 3.709) 4.528 1.628 ( -6.916 3.568 5.135) 9.323 1.828 ( 2.902 -0.725 1.461) 3.329 1.909 ( -3.866 3.297 -0.029) 5.081 2.012 ( 3.776 0.282 -0.074) 3.788 2.086 ( -2.966 0.663 2.846) 4.163 2.310 ( 0.726 -4.050 -4.862) 6.370 2.339 ( -2.751 -5.824 -4.106) 7.639 2.957 ( 10.833 6.137 2.021) 12.613 3.189 ( -10.164 5.474 2.973) 11.922 3.298 ( 5.437 -1.466 -2.235) 6.059 3.380 ( -2.563 -4.313 1.037) 5.123 3.540 ( 4.501 -9.186 -1.496) 10.338 3.645 ( 6.888 -7.296 -5.063) 11.239 3.721 ( 0.267 -11.173 -6.147) 12.755 4.022 ( -12.869 -5.256 -10.279) 17.289 4.463 ( 13.782 10.198 6.863) 18.467 4.670 ( -4.484 8.737 9.273) 13.507 4.822 ( -3.194 -2.991 5.173) 6.776 4.856 ( -5.965 1.663 5.686) 8.407 5.259 ( 0.101 -2.285 -2.085) 3.095 5.289 ( -3.238 -8.036 1.981) 8.888 5.464 ( 6.084 -10.387 -2.533) 12.301 5.716 ( -15.717 -3.995 -0.240) 16.219 6.182 ( 7.379 -8.076 4.325) 11.764 6.397 ( -11.601 -8.124 1.538) 14.246 6.895 ( 7.269 1.564 -11.099) 13.360 7.032 ( -5.212 0.309 -15.649) 16.497 7.260 ( 5.692 12.101 4.053) 13.973 7.380 ( -4.198 5.537 2.941) 7.546 7.543 ( 3.226 -0.847 1.905) 3.841 7.630 ( -4.804 1.077 -2.588) 5.562 8.068 ( 3.557 2.376 10.556) 11.390 8.151 ( -3.877 2.661 12.613) 13.461 8.938 ( 5.483 -1.491 -7.978) 9.795 9.055 ( -5.373 -3.654 -4.105) 7.686 10.523 ( 7.277 1.259 -2.586) 7.824 10.713 ( -10.486 0.862 0.353) 10.527 10.811 ( 9.844 -3.960 2.324) 10.862 10.992 ( -7.192 -0.213 2.759) 7.706 12.429 ( 4.976 1.448 -4.618) 6.941 12.566 ( -7.449 2.316 -0.277) 7.806 12.678 ( 10.647 -3.252 -2.462) 11.402 12.898 ( -8.377 -3.843 -0.432) 9.226 13.700 ( 30.906 -1.553 5.545) 31.438 14.320 ( -25.157 -2.811 2.413) 25.428 14.371 ( 13.337 -9.031 -6.727) 17.455 14.683 ( -14.817 -9.591 1.190) 17.691 17.380 ( 3.086 4.254 0.701) 5.302 17.482 ( -6.655 3.944 3.913) 8.669 17.686 ( 9.380 -8.051 -2.196) 12.555 17.911 ( -11.707 -7.533 -2.616) 14.165 18.742 ( 13.695 14.050 1.192) 19.656 19.036 ( -14.715 15.222 0.105) 21.173 19.343 ( 10.288 -11.660 -0.593) 15.561 19.551 ( -10.265 -10.297 0.103) 14.540 20.454 ( 7.720 -0.762 3.153) 8.374 20.608 ( -7.079 0.276 1.571) 7.256 20.712 ( 4.049 -0.729 -2.654) 4.895 20.781 ( -2.586 0.071 -1.788) 3.144 ======================= Grid point 144 (56/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.000 0.000 4.492) 4.492 1.610 ( 0.000 0.000 4.425) 4.425 1.863 ( 0.000 -0.000 -0.456) 0.456 1.869 ( 0.000 0.000 -1.250) 1.250 1.974 ( 0.000 0.000 3.602) 3.602 2.167 ( 0.000 0.000 -4.132) 4.132 2.227 ( 0.000 0.000 11.656) 11.656 2.878 ( 0.000 0.000 0.013) 0.013 3.072 ( 0.000 -0.000 -4.734) 4.734 3.187 ( 0.000 0.000 7.359) 7.359 3.218 ( 0.000 0.000 -6.868) 6.868 3.322 ( 0.000 0.000 -7.991) 7.991 3.362 ( 0.000 0.000 -4.609) 4.609 3.558 ( 0.000 0.000 3.404) 3.404 3.622 ( 0.000 -0.000 1.854) 1.854 3.658 ( 0.000 0.000 -3.490) 3.490 4.760 ( 0.000 -0.000 -9.527) 9.527 4.781 ( 0.000 0.000 -4.018) 4.018 5.202 ( 0.000 0.000 5.186) 5.186 5.433 ( 0.000 -0.000 -0.138) 0.138 5.506 ( 0.000 0.000 21.392) 21.392 5.579 ( 0.000 0.000 2.850) 2.850 5.767 ( 0.000 0.000 -1.329) 1.329 5.892 ( 0.000 0.000 8.986) 8.986 6.699 ( 0.000 0.000 -3.700) 3.700 6.834 ( 0.000 0.000 -5.366) 5.366 6.841 ( 0.000 0.000 -4.496) 4.496 7.121 ( 0.000 -0.000 -13.909) 13.909 7.268 ( 0.000 0.000 2.788) 2.788 7.318 ( 0.000 0.000 2.412) 2.412 7.355 ( 0.000 0.000 -2.596) 2.596 7.566 ( 0.000 0.000 -2.512) 2.512 8.022 ( 0.000 0.000 11.305) 11.305 8.470 ( 0.000 0.000 11.058) 11.058 8.717 ( 0.000 -0.000 -7.843) 7.843 8.885 ( 0.000 0.000 -0.662) 0.662 9.703 ( 0.000 0.000 11.916) 11.916 10.917 ( 0.000 0.000 -13.233) 13.233 11.074 ( 0.000 0.000 1.295) 1.295 11.287 ( 0.000 0.000 -10.809) 10.809 11.432 ( 0.000 0.000 11.683) 11.683 12.603 ( 0.000 0.000 13.656) 13.656 12.948 ( 0.000 0.000 -19.260) 19.260 13.100 ( 0.000 0.000 -2.008) 2.008 13.172 ( 0.000 0.000 0.873) 0.873 13.380 ( 0.000 0.000 -12.474) 12.474 15.029 ( 0.000 0.000 20.346) 20.346 15.980 ( 0.000 0.000 -7.201) 7.201 17.112 ( 0.000 0.000 5.325) 5.325 17.606 ( 0.000 0.000 -5.969) 5.969 18.222 ( 0.000 0.000 1.660) 1.660 18.246 ( 0.000 0.000 1.956) 1.956 18.409 ( 0.000 0.000 0.362) 0.362 18.580 ( 0.000 0.000 -2.649) 2.649 19.762 ( 0.000 0.000 2.088) 2.088 19.865 ( 0.000 0.000 -0.505) 0.505 20.061 ( 0.000 0.000 7.239) 7.239 20.758 ( 0.000 0.000 -8.567) 8.567 20.784 ( 0.000 0.000 0.057) 0.057 20.798 ( 0.000 0.000 -0.288) 0.288 ======================= Grid point 146 (57/90) ======================= q-point: ( 0.11 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 10.158 -0.000 -0.337) 10.164 1.605 ( -0.598 0.000 3.178) 3.233 1.873 ( 0.332 0.000 -1.706) 1.738 1.878 ( 0.324 -0.000 0.109) 0.341 2.015 ( 3.513 0.000 4.220) 5.491 2.119 ( -3.463 0.000 -0.758) 3.545 2.246 ( 2.315 0.000 9.241) 9.527 2.772 ( -10.045 0.000 -3.124) 10.519 3.070 ( 0.236 -0.000 -5.172) 5.178 3.183 ( 0.281 0.000 3.731) 3.742 3.240 ( -0.793 -0.000 -6.504) 6.552 3.375 ( 4.364 -0.000 0.028) 4.364 3.419 ( 3.802 0.000 0.072) 3.803 3.525 ( -1.314 0.000 -2.084) 2.464 3.612 ( -0.184 -0.000 2.655) 2.661 3.681 ( 1.828 0.000 -1.584) 2.419 4.616 ( -7.390 -0.000 -9.344) 11.913 4.706 ( -6.542 0.000 -4.198) 7.773 5.225 ( -7.393 -0.000 14.455) 16.236 5.366 ( -6.900 0.000 2.066) 7.203 5.394 ( 3.721 0.000 1.933) 4.193 5.488 ( -8.796 0.000 2.664) 9.191 5.834 ( -6.073 0.000 9.124) 10.960 6.089 ( 19.977 0.000 4.083) 20.390 6.546 ( -10.022 -0.000 -2.222) 10.266 6.707 ( -10.485 0.000 -7.169) 12.702 6.854 ( -1.059 0.000 -2.033) 2.292 7.181 ( 1.898 -0.000 -11.113) 11.274 7.231 ( -2.623 0.000 1.532) 3.037 7.357 ( 3.000 0.000 2.364) 3.820 7.400 ( 4.942 -0.000 -4.706) 6.824 7.512 ( -3.286 0.000 -2.363) 4.047 8.062 ( 3.238 0.000 11.797) 12.234 8.421 ( -4.638 0.000 11.222) 12.142 8.767 ( 3.054 -0.000 -9.028) 9.531 8.934 ( 5.259 0.000 -1.460) 5.458 9.830 ( 11.504 0.000 10.448) 15.540 10.988 ( -2.159 0.000 -18.734) 18.858 11.067 ( -0.286 0.000 1.163) 1.198 11.181 ( -1.549 0.000 -3.088) 3.455 11.476 ( 5.079 0.000 13.838) 14.740 12.552 ( -3.068 0.000 10.654) 11.087 12.841 ( -9.561 0.000 -14.414) 17.297 13.072 ( -3.128 0.000 -1.257) 3.371 13.258 ( 6.092 0.000 0.146) 6.094 13.437 ( 5.862 0.000 -15.450) 16.525 15.010 ( -1.967 0.000 17.649) 17.759 15.789 ( -16.846 0.000 -5.229) 17.639 17.144 ( 2.994 0.000 4.703) 5.575 17.625 ( 0.177 0.000 -7.626) 7.628 18.119 ( -8.797 0.000 5.126) 10.182 18.287 ( 4.148 0.000 2.059) 4.631 18.371 ( -3.660 0.000 0.123) 3.662 18.616 ( 4.138 0.000 -3.330) 5.311 19.734 ( -2.877 0.000 3.600) 4.608 19.917 ( 4.525 0.000 -0.869) 4.608 20.172 ( 9.640 0.000 3.178) 10.150 20.511 ( -15.369 -0.000 -3.209) 15.700 20.808 ( 0.884 0.000 -0.218) 0.910 20.887 ( 2.064 0.000 -3.085) 3.711 ======================= Grid point 148 (58/90) ======================= q-point: ( 0.22 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -1.362 0.000 1.479) 2.011 1.787 ( 12.257 0.000 -6.072) 13.678 1.844 ( -3.237 0.000 2.736) 4.238 1.880 ( 0.310 -0.000 -1.311) 1.347 2.058 ( -2.872 0.000 4.201) 5.089 2.090 ( 3.341 -0.000 -0.008) 3.341 2.312 ( 2.575 0.000 6.686) 7.164 2.510 ( -13.654 -0.000 -2.874) 13.953 3.097 ( 2.929 0.000 -8.150) 8.660 3.125 ( -9.019 -0.000 -4.082) 9.900 3.198 ( 1.178 0.000 0.951) 1.514 3.423 ( -1.374 0.000 1.244) 1.853 3.467 ( 2.731 -0.000 3.657) 4.564 3.597 ( 4.586 -0.000 -1.253) 4.754 3.609 ( -0.539 0.000 5.813) 5.838 3.733 ( 4.867 0.000 0.096) 4.868 4.563 ( -6.286 -0.000 -5.673) 8.467 4.607 ( 7.060 0.000 -11.840) 13.785 5.099 ( -2.513 -0.000 9.755) 10.074 5.143 ( -14.276 0.000 6.884) 15.849 5.248 ( -13.088 0.000 3.334) 13.506 5.453 ( -0.466 0.000 -1.600) 1.666 5.634 ( -13.039 0.000 9.625) 16.206 6.352 ( -9.298 0.000 1.670) 9.447 6.359 ( -5.495 0.000 -0.612) 5.529 6.548 ( 6.182 0.000 -6.031) 8.637 6.768 ( -7.273 0.000 0.304) 7.279 7.171 ( -1.787 0.000 -10.250) 10.405 7.220 ( 2.226 0.000 2.708) 3.505 7.395 ( -2.568 -0.000 -0.688) 2.659 7.407 ( 1.775 0.000 2.427) 3.006 7.610 ( 8.752 0.000 -8.589) 12.262 8.117 ( 0.815 0.000 10.265) 10.297 8.301 ( -5.586 0.000 14.967) 15.976 8.810 ( 1.594 0.000 -11.030) 11.145 9.057 ( 4.666 0.000 -2.264) 5.187 10.125 ( 16.175 0.000 5.262) 17.009 10.746 ( -14.012 0.000 -9.589) 16.979 11.078 ( 1.361 0.000 1.170) 1.795 11.156 ( -6.546 0.000 1.990) 6.842 11.813 ( 26.107 0.000 4.469) 26.487 12.541 ( 3.202 -0.000 9.110) 9.657 12.615 ( -10.951 0.000 -10.240) 14.993 12.964 ( -7.176 -0.000 2.828) 7.713 13.346 ( 1.782 -0.000 -2.260) 2.878 13.625 ( 12.233 0.000 -17.393) 21.264 14.941 ( -4.976 0.000 12.073) 13.058 15.370 ( -22.700 0.000 -1.432) 22.745 17.233 ( 5.700 0.000 2.646) 6.284 17.568 ( -5.284 0.000 -7.770) 9.396 17.918 ( -10.138 0.000 8.424) 13.181 18.254 ( -7.492 -0.000 -1.578) 7.656 18.424 ( 8.947 0.000 3.469) 9.597 18.757 ( 9.151 0.000 -3.773) 9.898 19.646 ( -5.576 0.000 3.165) 6.412 19.973 ( -4.947 0.000 -5.910) 7.707 20.219 ( -6.980 0.000 4.647) 8.386 20.391 ( 10.519 0.000 -0.894) 10.557 20.824 ( 0.456 0.000 -0.423) 0.622 20.868 ( -3.497 0.000 -1.543) 3.823 ======================= Grid point 150 (59/90) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -0.857 0.000 2.514) 2.656 1.782 ( -1.701 0.000 3.986) 4.334 1.848 ( -6.145 -0.000 3.647) 7.146 1.974 ( 3.917 0.000 -6.050) 7.207 1.992 ( -0.980 0.000 1.309) 1.635 2.141 ( 1.802 0.000 -1.103) 2.113 2.293 ( -7.212 -0.000 1.868) 7.450 2.313 ( -1.700 0.000 1.156) 2.055 2.967 ( -3.757 -0.000 -1.932) 4.224 3.222 ( 9.100 -0.000 -11.293) 14.503 3.230 ( 1.796 0.000 -0.645) 1.908 3.418 ( 1.310 0.000 -2.303) 2.650 3.441 ( -3.928 -0.000 6.890) 7.931 3.572 ( -4.620 -0.000 -1.072) 4.742 3.583 ( -3.566 0.000 2.728) 4.490 3.957 ( 13.624 0.000 3.924) 14.178 4.443 ( -5.904 0.000 -6.923) 9.098 4.853 ( -11.455 0.000 11.947) 16.551 4.860 ( 16.200 -0.000 -10.317) 19.206 5.008 ( -9.929 0.000 3.297) 10.462 5.117 ( 3.442 -0.000 2.170) 4.069 5.330 ( -15.968 0.000 12.260) 20.132 5.386 ( -4.930 -0.000 -3.349) 5.960 6.058 ( -17.966 0.000 -6.182) 19.000 6.160 ( -8.103 -0.000 5.260) 9.660 6.564 ( -12.139 0.000 2.316) 12.357 6.764 ( 9.369 -0.000 -6.730) 11.535 7.121 ( -3.273 0.000 -13.900) 14.280 7.306 ( 5.257 0.000 3.101) 6.103 7.395 ( 2.875 0.000 4.188) 5.080 7.438 ( 1.282 0.000 2.835) 3.112 7.722 ( 0.592 0.000 -7.738) 7.760 8.069 ( -2.569 0.000 8.434) 8.816 8.247 ( -1.332 0.000 18.366) 18.414 8.849 ( 2.482 0.000 -11.258) 11.528 9.085 ( -1.777 0.000 -2.862) 3.369 10.463 ( 16.250 0.000 -1.053) 16.284 10.534 ( -5.386 0.000 -3.607) 6.482 10.959 ( -11.477 0.000 5.152) 12.581 11.091 ( -1.218 0.000 0.402) 1.282 12.321 ( 18.940 -0.000 -6.901) 20.158 12.450 ( -4.111 0.000 -6.494) 7.686 12.739 ( 15.281 0.000 10.795) 18.709 12.793 ( -9.172 0.000 4.135) 10.061 13.360 ( 2.857 -0.000 -1.592) 3.270 13.922 ( 16.267 0.000 -13.675) 21.252 14.800 ( -8.894 -0.000 6.146) 10.811 14.878 ( -25.434 0.000 2.272) 25.536 17.379 ( 8.601 -0.000 -0.098) 8.601 17.463 ( -3.753 0.000 -3.819) 5.354 17.711 ( -9.817 0.000 7.124) 12.129 18.065 ( -10.747 -0.000 -2.560) 11.048 18.650 ( 12.822 0.000 3.734) 13.355 18.963 ( 10.326 -0.000 -3.357) 10.858 19.513 ( -7.251 0.000 1.223) 7.353 19.665 ( -18.867 0.000 -2.874) 19.085 20.285 ( 7.352 0.000 4.652) 8.700 20.578 ( 7.571 0.000 -2.461) 7.961 20.761 ( -6.630 0.000 0.188) 6.632 20.820 ( -1.002 0.000 -1.174) 1.544 ======================= Grid point 152 (60/90) ======================= q-point: ( 0.44 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 2.377 0.000 4.673) 5.243 1.673 ( -7.954 0.000 5.944) 9.929 1.802 ( 3.834 0.000 3.814) 5.408 1.921 ( -6.578 0.000 1.444) 6.735 2.041 ( 4.462 -0.000 0.974) 4.567 2.158 ( -6.528 0.000 2.364) 6.943 2.199 ( 3.690 -0.000 -3.726) 5.244 2.270 ( -2.805 0.000 -5.240) 5.944 3.032 ( 9.257 -0.000 1.684) 9.409 3.226 ( -5.321 0.000 2.504) 5.881 3.362 ( 3.405 0.000 -4.310) 5.493 3.374 ( -0.243 -0.000 2.949) 2.959 3.430 ( -3.400 -0.000 -0.301) 3.413 3.453 ( -6.958 0.000 -0.024) 6.958 3.631 ( 14.829 0.000 -12.116) 19.150 3.971 ( -14.224 0.000 -11.019) 17.993 4.543 ( 17.604 0.000 7.927) 19.307 4.740 ( 0.555 0.000 12.460) 12.473 4.821 ( -8.329 -0.000 6.720) 10.702 4.977 ( -18.763 -0.000 12.344) 22.460 5.178 ( 7.546 0.000 -3.828) 8.461 5.237 ( 8.227 0.000 -5.654) 9.983 5.309 ( 3.757 -0.000 -4.712) 6.026 5.667 ( -19.786 0.000 -6.827) 20.930 6.107 ( 4.219 -0.000 6.476) 7.730 6.299 ( -12.666 0.000 4.631) 13.486 6.918 ( 6.223 0.000 -13.902) 15.231 7.034 ( -5.109 0.000 -16.768) 17.528 7.404 ( 3.734 0.000 2.882) 4.716 7.448 ( -0.611 -0.000 2.774) 2.840 7.498 ( 6.515 0.000 6.578) 9.258 7.640 ( -6.719 0.000 1.625) 6.913 8.093 ( 3.998 0.000 9.523) 10.328 8.188 ( -4.401 0.000 13.632) 14.325 8.917 ( 4.104 0.000 -8.765) 9.679 9.011 ( -4.691 0.000 -5.344) 7.111 10.539 ( 5.430 0.000 0.986) 5.519 10.719 ( -11.134 0.000 4.144) 11.880 10.772 ( 13.477 0.000 -3.737) 13.985 10.997 ( -8.074 0.000 -2.275) 8.389 12.458 ( 4.497 -0.000 -1.612) 4.777 12.603 ( -8.826 0.000 2.455) 9.161 12.623 ( 12.846 0.000 -6.262) 14.291 12.846 ( -6.752 0.000 -2.684) 7.266 13.697 ( 28.513 -0.000 6.812) 29.315 14.265 ( 16.464 0.000 -7.066) 17.917 14.316 ( -29.475 0.000 5.384) 29.963 14.573 ( -13.230 0.000 -0.155) 13.231 17.440 ( 1.765 -0.000 0.543) 1.847 17.533 ( -7.023 0.000 4.233) 8.200 17.583 ( 11.179 0.000 -2.189) 11.391 17.826 ( -12.159 -0.000 -2.979) 12.519 18.942 ( 15.553 0.000 2.899) 15.821 19.168 ( 9.524 -0.000 -2.298) 9.798 19.284 ( -17.803 0.000 0.711) 17.817 19.352 ( -8.431 -0.000 -0.737) 8.463 20.446 ( 8.050 0.000 3.238) 8.677 20.610 ( -7.833 0.000 1.811) 8.040 20.704 ( 4.830 0.000 -2.614) 5.492 20.781 ( -2.779 0.000 -2.059) 3.459 ======================= Grid point 198 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 0.000 0.000 4.598) 4.598 0.514 ( 0.000 0.000 -3.244) 3.244 0.876 ( 0.000 0.000 17.153) 17.153 1.182 ( 0.000 0.000 -11.830) 11.830 1.401 ( 0.000 0.000 30.646) 30.646 1.956 ( 0.000 0.000 -23.828) 23.828 1.988 ( 0.000 0.000 8.458) 8.458 2.156 ( 0.000 0.000 -6.875) 6.875 2.240 ( 0.000 0.000 13.559) 13.559 2.451 ( 0.000 0.000 -7.650) 7.650 2.665 ( 0.000 0.000 13.145) 13.145 2.974 ( 0.000 0.000 -15.482) 15.482 3.301 ( 0.000 0.000 7.525) 7.525 3.436 ( 0.000 0.000 -5.461) 5.461 3.520 ( 0.000 0.000 6.697) 6.697 3.619 ( 0.000 0.000 -3.583) 3.583 4.010 ( 0.000 0.000 17.107) 17.107 4.401 ( 0.000 0.000 -19.742) 19.742 4.654 ( 0.000 0.000 8.055) 8.055 4.853 ( 0.000 0.000 -10.951) 10.951 5.600 ( 0.000 0.000 0.612) 0.612 5.615 ( 0.000 0.000 -0.711) 0.711 6.148 ( 0.000 0.000 10.149) 10.149 6.241 ( 0.000 0.000 0.351) 0.351 6.251 ( 0.000 0.000 -0.836) 0.836 6.352 ( 0.000 0.000 -9.287) 9.287 7.103 ( 0.000 0.000 1.012) 1.012 7.136 ( 0.000 0.000 -1.764) 1.764 7.578 ( 0.000 0.000 17.775) 17.775 7.715 ( 0.000 0.000 12.030) 12.030 7.907 ( 0.000 0.000 -13.242) 13.242 7.946 ( 0.000 0.000 -10.263) 10.263 7.965 ( 0.000 0.000 1.348) 1.348 7.999 ( 0.000 0.000 -2.600) 2.600 10.184 ( 0.000 0.000 5.633) 5.633 10.253 ( 0.000 0.000 5.690) 5.690 10.328 ( 0.000 0.000 -8.344) 8.344 10.391 ( 0.000 0.000 -6.981) 6.981 10.951 ( 0.000 0.000 15.146) 15.146 11.269 ( 0.000 0.000 -15.733) 15.733 11.594 ( 0.000 0.000 7.202) 7.202 11.722 ( 0.000 0.000 -5.248) 5.248 12.470 ( 0.000 0.000 0.954) 0.954 12.491 ( 0.000 0.000 -1.000) 1.000 13.361 ( 0.000 0.000 6.667) 6.667 13.482 ( 0.000 0.000 -5.066) 5.066 15.986 ( 0.000 0.000 4.358) 4.358 16.083 ( 0.000 0.000 -4.953) 4.953 17.680 ( 0.000 0.000 4.961) 4.961 17.787 ( 0.000 0.000 -5.248) 5.248 18.172 ( 0.000 0.000 2.846) 2.846 18.227 ( 0.000 0.000 -2.521) 2.521 18.844 ( 0.000 0.000 14.181) 14.181 19.157 ( 0.000 0.000 -16.053) 16.053 19.210 ( 0.000 0.000 0.097) 0.097 19.210 ( 0.000 0.000 0.035) 0.035 19.928 ( 0.000 0.000 1.926) 1.926 19.960 ( 0.000 0.000 -1.304) 1.304 20.775 ( 0.000 0.000 7.534) 7.534 20.911 ( 0.000 0.000 -5.631) 5.631 ======================= Grid point 199 (62/90) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 19.534 0.000 4.255) 19.992 0.804 ( 18.741 0.000 0.343) 18.744 0.929 ( 6.238 0.000 12.619) 14.077 1.199 ( 1.307 0.000 -12.266) 12.335 1.578 ( 14.764 0.000 21.638) 26.195 1.918 ( -0.242 0.000 -8.237) 8.241 2.119 ( 5.799 0.000 4.598) 7.401 2.221 ( 5.329 0.000 -5.068) 7.354 2.408 ( 17.092 0.000 4.783) 17.749 2.614 ( 12.897 0.000 -13.004) 18.315 2.802 ( 12.864 0.000 12.206) 17.734 3.078 ( 8.910 0.000 -13.941) 16.545 3.269 ( -0.690 0.000 6.662) 6.697 3.418 ( -0.902 0.000 -7.899) 7.950 3.583 ( 5.802 0.000 5.469) 7.973 3.667 ( 4.085 0.000 -3.159) 5.164 4.143 ( 11.247 0.000 10.169) 15.163 4.257 ( -5.529 0.000 0.291) 5.537 4.924 ( 16.669 0.000 -7.675) 18.351 4.927 ( 6.548 0.000 -7.406) 9.886 5.586 ( -2.877 0.000 3.022) 4.172 5.622 ( 1.390 0.000 -0.784) 1.596 6.004 ( -1.967 0.000 0.995) 2.204 6.027 ( -8.535 0.000 -1.077) 8.603 6.531 ( 13.894 0.000 3.795) 14.403 6.600 ( 8.775 0.000 -2.450) 9.110 7.067 ( -5.342 0.000 0.087) 5.342 7.078 ( -0.815 0.000 -1.728) 1.911 7.505 ( -5.868 0.000 17.403) 18.365 7.736 ( -20.135 0.000 4.373) 20.605 7.783 ( 3.281 0.000 8.283) 8.909 7.824 ( -10.713 0.000 0.788) 10.742 7.865 ( -3.681 0.000 -13.534) 14.025 7.974 ( -1.020 0.000 -7.465) 7.535 9.248 ( -31.406 0.000 16.544) 35.497 9.492 ( -31.250 0.000 -7.794) 32.208 10.828 ( 1.224 0.000 9.211) 9.292 10.914 ( 12.250 0.000 -0.194) 12.251 11.214 ( 6.722 0.000 -3.648) 7.648 11.295 ( 2.037 0.000 -10.801) 10.991 12.078 ( 35.974 0.000 3.795) 36.173 12.279 ( 54.659 0.000 -18.779) 57.795 12.445 ( -1.715 0.000 0.995) 1.983 12.476 ( 4.413 0.000 -3.275) 5.496 13.319 ( -3.970 0.000 6.009) 7.202 13.429 ( -5.024 0.000 -4.624) 6.828 15.917 ( -6.455 0.000 4.871) 8.086 16.010 ( -6.980 0.000 -4.332) 8.215 17.651 ( -2.875 0.000 4.358) 5.221 17.739 ( -4.430 0.000 -4.080) 6.023 17.983 ( -17.355 0.000 3.619) 17.729 18.005 ( -13.388 0.000 0.552) 13.399 18.911 ( 5.359 0.000 12.981) 14.044 19.207 ( 2.587 0.000 -15.004) 15.225 19.226 ( 1.653 0.000 -0.351) 1.690 19.235 ( 2.260 0.000 -0.404) 2.296 20.077 ( 11.423 0.000 -0.457) 11.432 20.082 ( 10.184 0.000 -0.651) 10.205 20.769 ( -0.607 0.000 7.158) 7.184 20.898 ( -1.198 0.000 -5.377) 5.509 ======================= Grid point 200 (63/90) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 12.301 0.000 6.601) 13.960 1.147 ( 14.343 0.000 0.236) 14.345 1.195 ( 17.050 0.000 0.019) 17.050 1.251 ( 5.418 0.000 -7.317) 9.104 1.840 ( 8.060 0.000 5.098) 9.537 1.883 ( -3.855 0.000 2.090) 4.385 2.227 ( 4.532 0.000 4.631) 6.480 2.319 ( 3.362 0.000 -3.944) 5.183 2.780 ( 15.294 0.000 -1.581) 15.375 2.863 ( 8.786 0.000 -9.122) 12.665 3.115 ( 14.424 0.000 7.519) 16.266 3.264 ( 8.280 0.000 -7.153) 10.941 3.391 ( 12.879 0.000 2.579) 13.135 3.460 ( 3.802 0.000 -4.004) 5.522 3.756 ( 12.450 0.000 2.062) 12.619 3.802 ( 11.779 0.000 -3.369) 12.251 4.262 ( 6.457 0.000 8.777) 10.896 4.405 ( 13.399 0.000 -3.410) 13.826 5.096 ( 9.920 0.000 0.422) 9.929 5.191 ( 8.439 0.000 -6.041) 10.378 5.530 ( -2.306 0.000 8.035) 8.360 5.645 ( 1.155 0.000 -3.440) 3.629 5.961 ( 1.217 0.000 5.782) 5.908 6.089 ( 8.299 0.000 -6.522) 10.554 6.543 ( -12.942 0.000 1.520) 13.031 6.548 ( -12.027 0.000 0.777) 12.052 7.004 ( -4.806 0.000 3.064) 5.700 7.072 ( -4.463 0.000 -3.387) 5.602 7.334 ( -10.662 0.000 13.368) 17.099 7.384 ( -8.714 0.000 5.924) 10.537 7.555 ( -10.138 0.000 1.374) 10.231 7.780 ( -4.708 0.000 -16.313) 16.979 7.927 ( -1.228 0.000 2.012) 2.357 7.938 ( 10.393 0.000 1.209) 10.463 8.890 ( -8.419 0.000 7.744) 11.439 9.024 ( -15.104 0.000 -5.045) 15.924 10.826 ( -0.376 0.000 8.603) 8.611 10.977 ( -1.047 0.000 -5.971) 6.062 11.219 ( -3.583 0.000 0.302) 3.595 11.293 ( -2.670 0.000 -6.831) 7.334 12.401 ( -0.252 0.000 0.598) 0.649 12.411 ( -0.208 0.000 -0.356) 0.412 12.974 ( 40.518 0.000 15.833) 43.501 13.216 ( -2.726 0.000 4.065) 4.894 13.281 ( -8.239 0.000 -4.396) 9.338 13.449 ( 45.458 0.000 -29.857) 54.386 15.736 ( -10.826 0.000 4.539) 11.739 15.805 ( -12.849 0.000 -2.530) 13.096 17.561 ( -5.795 0.000 3.731) 6.893 17.619 ( -6.804 0.000 -2.132) 7.131 17.688 ( -10.220 0.000 3.468) 10.792 17.728 ( -12.188 0.000 -0.671) 12.207 19.033 ( 6.250 0.000 9.246) 11.160 19.243 ( 1.345 0.000 -7.887) 8.001 19.268 ( 1.966 0.000 -2.148) 2.912 19.290 ( 2.670 0.000 -1.228) 2.939 20.299 ( 9.508 0.000 -0.338) 9.514 20.307 ( 10.756 0.000 -0.935) 10.796 20.751 ( -1.169 0.000 6.277) 6.385 20.865 ( -1.942 0.000 -4.815) 5.191 ======================= Grid point 201 (64/90) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 6.605 0.000 -1.143) 6.703 1.327 ( 13.126 0.000 -0.856) 13.154 1.509 ( 14.821 0.000 1.697) 14.918 1.549 ( 16.434 0.000 -2.358) 16.603 1.785 ( -4.191 0.000 6.788) 7.978 1.901 ( -0.418 0.000 -4.869) 4.887 2.264 ( -1.644 0.000 3.601) 3.959 2.339 ( -1.819 0.000 -3.479) 3.926 2.968 ( 3.480 0.000 -1.668) 3.859 3.022 ( 9.765 0.000 -6.961) 11.992 3.327 ( -5.023 0.000 2.019) 5.414 3.354 ( 6.247 0.000 -0.216) 6.251 3.587 ( 12.449 0.000 0.559) 12.462 3.620 ( 11.472 0.000 -2.426) 11.726 4.098 ( 10.294 0.000 0.463) 10.304 4.116 ( 16.812 0.000 -1.274) 16.860 4.558 ( 23.001 0.000 6.148) 23.809 4.701 ( 17.083 0.000 -7.196) 18.536 5.308 ( 4.505 0.000 3.869) 5.939 5.331 ( 12.118 0.000 1.008) 12.160 5.461 ( -4.937 0.000 12.521) 13.459 5.655 ( -0.862 0.000 -6.360) 6.418 6.025 ( 1.248 0.000 10.231) 10.307 6.026 ( -17.110 0.000 5.093) 17.852 6.211 ( -13.355 0.000 4.854) 14.210 6.513 ( 13.077 0.000 -19.481) 23.463 6.816 ( -9.312 0.000 1.037) 9.370 6.839 ( -15.215 0.000 -0.034) 15.215 7.124 ( -9.439 0.000 7.623) 12.133 7.203 ( -12.588 0.000 -1.273) 12.653 7.350 ( -11.342 0.000 5.839) 12.756 7.620 ( -11.157 0.000 -18.121) 21.280 8.083 ( 15.027 0.000 9.552) 17.806 8.220 ( 15.494 0.000 -4.211) 16.056 8.773 ( -4.884 0.000 3.816) 6.198 8.819 ( -6.474 0.000 -0.957) 6.544 10.830 ( 0.966 0.000 6.173) 6.248 10.956 ( -0.255 0.000 -6.293) 6.298 11.106 ( -6.703 0.000 2.253) 7.071 11.200 ( -5.869 0.000 -6.344) 8.643 12.441 ( 4.423 0.000 1.279) 4.605 12.460 ( 5.148 0.000 -0.592) 5.182 13.004 ( -9.784 0.000 4.230) 10.659 13.074 ( -11.159 0.000 -2.759) 11.495 13.862 ( 37.444 0.000 13.608) 39.841 14.224 ( 30.983 0.000 -21.626) 37.784 15.482 ( -13.880 0.000 1.590) 13.971 15.491 ( -17.705 0.000 0.387) 17.709 17.449 ( -4.069 0.000 2.200) 4.626 17.481 ( -5.953 0.000 -0.972) 6.032 17.530 ( -7.246 0.000 0.796) 7.290 17.539 ( -5.476 0.000 0.002) 5.476 19.158 ( 5.695 0.000 4.986) 7.569 19.269 ( 1.294 0.000 -4.550) 4.731 19.300 ( 1.045 0.000 0.193) 1.063 19.330 ( 0.932 0.000 -1.488) 1.756 20.465 ( 6.800 0.000 1.413) 6.945 20.504 ( 8.355 0.000 -2.267) 8.657 20.719 ( -2.001 0.000 5.278) 5.644 20.819 ( -2.676 0.000 -4.332) 5.092 ======================= Grid point 202 (65/90) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 6.861 0.000 3.793) 7.840 1.566 ( 9.826 0.000 -5.698) 11.359 1.595 ( -5.189 0.000 5.295) 7.414 1.713 ( -3.128 0.000 -6.326) 7.058 1.903 ( 13.710 0.000 4.602) 14.461 1.997 ( 12.208 0.000 -4.394) 12.974 2.151 ( -9.301 0.000 4.055) 10.147 2.231 ( -8.825 0.000 -3.590) 9.527 3.053 ( 5.143 0.000 4.041) 6.540 3.182 ( -7.313 0.000 5.784) 9.324 3.205 ( 7.977 0.000 -10.353) 13.069 3.341 ( -4.930 0.000 -9.086) 10.337 3.883 ( 14.757 0.000 2.697) 15.002 3.940 ( 17.276 0.000 -3.091) 17.550 4.125 ( -6.868 0.000 4.124) 8.011 4.218 ( -6.893 0.000 -5.178) 8.621 5.065 ( 21.449 0.000 5.597) 22.167 5.130 ( 22.030 0.000 -0.822) 22.045 5.333 ( -7.112 0.000 12.957) 14.780 5.423 ( 7.553 0.000 10.118) 12.627 5.458 ( -6.096 0.000 -1.530) 6.285 5.658 ( 5.053 0.000 -9.881) 11.098 5.675 ( -15.660 0.000 4.906) 16.410 5.820 ( -10.992 0.000 -7.967) 13.575 6.265 ( 9.788 0.000 23.986) 25.906 6.522 ( -14.842 0.000 10.938) 18.437 6.662 ( -0.008 0.000 -4.899) 4.899 6.740 ( -3.630 0.000 -17.001) 17.384 7.002 ( -0.530 0.000 1.828) 1.903 7.059 ( 7.551 0.000 -6.572) 10.010 7.115 ( -10.133 0.000 3.907) 10.860 7.345 ( -15.161 0.000 -17.715) 23.317 8.404 ( 14.390 0.000 7.593) 16.271 8.509 ( 11.801 0.000 -3.091) 12.199 8.641 ( -8.659 0.000 4.824) 9.912 8.696 ( -6.752 0.000 -0.928) 6.816 10.873 ( 3.398 0.000 4.532) 5.665 10.971 ( -6.003 0.000 3.549) 6.973 10.983 ( 3.012 0.000 -6.163) 6.860 11.075 ( -5.719 0.000 -6.285) 8.497 12.581 ( 8.918 0.000 2.123) 9.168 12.615 ( 9.646 0.000 -1.260) 9.728 12.788 ( -10.801 0.000 2.915) 11.187 12.838 ( -11.599 0.000 -1.942) 11.761 14.545 ( 29.349 0.000 9.212) 30.760 14.763 ( 22.365 0.000 -11.685) 25.233 15.077 ( -22.811 0.000 4.370) 23.225 15.165 ( -17.273 0.000 -3.858) 17.699 17.402 ( -1.454 0.000 0.486) 1.533 17.409 ( 0.141 0.000 -0.179) 0.228 17.422 ( -3.258 0.000 1.339) 3.522 17.447 ( -3.367 0.000 -1.069) 3.532 19.260 ( 4.147 0.000 1.565) 4.432 19.294 ( 1.062 0.000 -1.416) 1.770 19.308 ( -0.202 0.000 0.381) 0.431 19.322 ( -1.752 0.000 -0.611) 1.855 20.583 ( 4.840 0.000 2.973) 5.680 20.650 ( 5.959 0.000 -3.385) 6.853 20.666 ( -3.246 0.000 4.223) 5.326 20.751 ( -3.994 0.000 -3.976) 5.635 ======================= Grid point 207 (66/90) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 23.191 8.522) 24.707 0.908 ( 0.000 17.381 9.378) 19.749 1.099 ( 0.000 25.393 5.639) 26.012 1.239 ( 0.000 8.225 -0.466) 8.238 1.386 ( 0.000 9.915 3.774) 10.609 1.752 ( 0.000 -12.613 -21.797) 25.184 2.106 ( 0.000 7.040 7.346) 10.175 2.239 ( 0.000 3.384 -5.775) 6.694 2.343 ( 0.000 8.121 9.688) 12.642 2.497 ( 0.000 4.534 -5.734) 7.310 2.868 ( 0.000 20.241 13.456) 24.306 3.126 ( 0.000 13.114 -10.766) 16.967 3.277 ( 0.000 -2.408 7.807) 8.170 3.422 ( 0.000 -0.987 -6.161) 6.239 3.532 ( 0.000 1.510 7.079) 7.239 3.645 ( 0.000 2.710 -4.042) 4.866 4.132 ( 0.000 11.562 13.703) 17.929 4.449 ( 0.000 4.770 -16.535) 17.210 4.656 ( 0.000 0.388 8.931) 8.940 4.875 ( 0.000 2.431 -12.082) 12.324 5.643 ( 0.000 2.943 -0.363) 2.965 5.658 ( 0.000 5.060 -2.460) 5.626 6.047 ( 0.000 -9.692 9.816) 13.794 6.214 ( 0.000 -8.900 -3.874) 9.707 6.266 ( 0.000 1.540 -1.262) 1.991 6.267 ( 0.000 -2.330 -3.303) 4.042 7.045 ( 0.000 -3.683 1.401) 3.940 7.108 ( 0.000 -2.488 -3.996) 4.707 7.462 ( 0.000 -9.994 14.184) 17.351 7.600 ( 0.000 -8.963 3.631) 9.670 7.909 ( 0.000 -1.890 -2.611) 3.223 7.910 ( 0.000 -3.630 -5.712) 6.768 8.064 ( 0.000 7.510 0.403) 7.520 8.087 ( 0.000 8.700 -2.787) 9.135 9.688 ( 0.000 -29.867 21.644) 36.885 10.059 ( 0.000 -22.148 -15.631) 27.109 10.400 ( 0.000 6.954 1.521) 7.118 10.453 ( 0.000 5.066 -3.689) 6.267 10.931 ( 0.000 -0.790 12.670) 12.694 11.176 ( 0.000 -9.277 -10.364) 13.910 11.710 ( 0.000 8.503 13.554) 16.000 12.069 ( 0.000 20.979 -22.646) 30.870 12.510 ( 0.000 4.699 0.745) 4.758 12.544 ( 0.000 5.160 -2.193) 5.606 13.341 ( 0.000 -1.937 6.243) 6.537 13.455 ( 0.000 -2.611 -4.865) 5.521 15.931 ( 0.000 -5.328 7.757) 9.411 16.068 ( 0.000 -1.680 -6.026) 6.256 17.577 ( 0.000 -8.575 4.810) 9.832 17.648 ( 0.000 -10.188 -1.145) 10.252 18.145 ( 0.000 -0.243 2.508) 2.520 18.199 ( 0.000 -1.094 -2.623) 2.842 19.063 ( 0.000 5.286 8.645) 10.133 19.093 ( 0.000 -10.489 0.067) 10.489 19.144 ( 0.000 6.699 6.221) 9.142 19.469 ( 0.000 22.894 -19.904) 30.336 19.989 ( 0.000 2.010 -0.114) 2.014 19.996 ( 0.000 5.540 -1.538) 5.750 20.778 ( 0.000 0.451 6.771) 6.786 20.903 ( 0.000 -0.760 -5.257) 5.312 ======================= Grid point 208 (67/90) ======================= q-point: ( 0.11 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 5.697 9.123 12.520) 16.506 1.065 ( 11.801 20.592 4.759) 24.207 1.189 ( 7.517 22.399 1.804) 23.696 1.263 ( 0.952 6.413 -9.593) 11.579 1.550 ( 14.401 5.227 9.000) 17.769 1.838 ( 5.561 -6.134 -12.394) 14.905 2.127 ( 2.138 2.955 2.987) 4.714 2.285 ( 3.214 2.086 -1.549) 4.132 2.447 ( 11.778 4.041 5.777) 13.727 2.617 ( 8.869 1.032 -9.344) 12.924 2.955 ( 9.054 14.300 8.162) 18.790 3.209 ( 5.511 9.228 -7.373) 13.034 3.270 ( 1.704 0.538 7.231) 7.449 3.429 ( 1.741 1.514 -7.775) 8.110 3.533 ( 1.218 -2.857 2.133) 3.768 3.749 ( 8.443 7.063 0.867) 11.042 4.254 ( 9.454 9.259 7.618) 15.269 4.316 ( -3.253 7.390 1.639) 8.239 4.923 ( 15.260 0.273 -5.243) 16.138 4.954 ( 7.730 2.362 -8.342) 11.615 5.503 ( -7.736 -4.348 0.281) 8.879 5.709 ( 0.603 0.263 -2.084) 2.185 5.853 ( -9.095 -5.800 2.439) 11.059 6.141 ( -0.312 6.190 -0.899) 6.263 6.470 ( 9.475 -4.924 1.242) 10.750 6.495 ( 11.478 -9.751 0.370) 15.066 7.032 ( -1.931 -0.861 -1.018) 2.346 7.074 ( -0.780 -2.161 -2.085) 3.103 7.416 ( -3.760 -7.889 14.756) 17.149 7.644 ( 0.531 -9.132 3.503) 9.796 7.723 ( -18.511 -2.852 0.500) 18.736 7.808 ( -7.342 -0.445 -5.757) 9.341 7.998 ( -5.265 8.577 -0.573) 10.081 8.062 ( -0.266 7.544 -2.695) 8.015 9.162 ( -24.624 -7.146 14.071) 29.247 9.500 ( -28.735 -1.683 -7.136) 29.656 10.558 ( 11.329 -13.762 -2.813) 18.045 10.923 ( 3.946 -1.661 9.534) 10.451 11.164 ( 4.045 -6.327 -11.034) 13.347 11.515 ( -0.735 13.708 6.029) 14.993 11.704 ( 49.366 -20.742 0.529) 53.549 12.441 ( 4.198 2.709 -0.789) 5.058 12.500 ( -3.281 5.530 -2.354) 6.847 12.596 ( 28.944 9.683 -15.093) 34.049 13.268 ( -4.505 -3.116 0.402) 5.493 13.458 ( -1.159 0.990 -1.981) 2.499 15.823 ( -9.043 -7.584 4.592) 12.664 16.029 ( -4.831 -0.009 -2.446) 5.415 17.473 ( -6.028 -9.961 1.984) 11.811 17.737 ( 4.313 -4.024 1.652) 6.126 17.991 ( -11.894 2.075 0.627) 12.090 18.066 ( -12.208 1.103 0.046) 12.258 18.946 ( -8.650 11.758 8.949) 17.122 19.055 ( -0.756 -11.189 0.083) 11.215 19.222 ( 6.475 -5.019 -1.380) 8.308 19.514 ( 2.823 19.483 -10.886) 22.496 20.042 ( 8.465 -1.031 -0.646) 8.552 20.206 ( 11.779 8.240 -1.395) 14.443 20.770 ( -0.872 0.074 5.984) 6.047 20.895 ( -0.763 -0.221 -4.608) 4.676 ======================= Grid point 209 (68/90) ======================= q-point: ( 0.22 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 10.478 6.663 4.854) 13.332 1.272 ( 4.864 8.208 -5.339) 10.933 1.322 ( 9.829 10.072 0.075) 14.073 1.381 ( 10.696 13.712 0.071) 17.391 1.831 ( 7.928 2.627 3.943) 9.236 1.884 ( 0.985 0.621 0.560) 1.292 2.188 ( 3.130 -2.876 -0.226) 4.257 2.338 ( 1.695 0.756 0.352) 1.889 2.736 ( 12.003 -3.193 -4.929) 13.363 2.802 ( 9.610 -5.310 -3.740) 11.599 3.183 ( 10.322 7.063 3.780) 13.066 3.297 ( 7.080 3.116 -6.544) 10.132 3.406 ( 8.702 1.075 2.627) 9.153 3.517 ( 3.181 3.918 -1.764) 5.346 3.610 ( 8.820 -7.548 -0.292) 11.612 3.988 ( 15.302 10.719 0.935) 18.707 4.322 ( 5.550 6.358 8.255) 11.806 4.529 ( 15.289 11.984 -3.258) 19.697 5.091 ( 5.805 -0.700 -1.539) 6.046 5.186 ( 7.896 0.343 -2.017) 8.157 5.402 ( -1.914 -8.881 3.607) 9.774 5.684 ( -0.587 -21.625 -2.196) 21.744 5.773 ( -1.149 8.172 -0.419) 8.263 6.189 ( 3.449 6.705 1.728) 7.736 6.482 ( -3.559 -2.606 1.479) 4.652 6.599 ( -5.124 -1.998 -2.355) 5.983 6.982 ( -4.476 -0.757 1.083) 4.667 7.043 ( -10.428 -3.469 -0.994) 11.035 7.272 ( -10.625 -5.091 4.206) 12.510 7.315 ( -6.289 -2.615 14.228) 15.774 7.621 ( -10.272 3.420 -3.487) 11.374 7.702 ( -1.430 -8.201 -10.442) 13.354 7.945 ( 4.067 6.762 2.041) 8.151 8.072 ( 2.048 7.654 -0.299) 7.929 8.820 ( -11.205 -5.052 3.439) 12.763 9.100 ( -11.142 5.211 -1.613) 12.406 10.635 ( 0.029 -12.371 -0.756) 12.394 10.988 ( 0.792 -5.557 4.099) 6.950 11.192 ( -0.751 2.602 -7.005) 7.510 11.385 ( -5.759 3.674 3.069) 7.489 12.412 ( -1.312 1.044 0.778) 1.848 12.433 ( -2.012 2.203 -1.304) 3.256 12.804 ( 48.499 -15.376 9.906) 51.833 12.995 ( -2.116 -11.900 0.905) 12.121 13.349 ( -3.468 2.141 0.131) 4.078 13.541 ( 29.758 3.881 -24.194) 38.548 15.599 ( -12.402 -9.811 2.106) 15.953 15.855 ( -11.997 0.906 0.500) 12.041 17.364 ( -4.396 -8.186 0.643) 9.314 17.717 ( -10.173 2.766 4.030) 11.287 17.774 ( -8.542 5.121 -0.564) 9.976 17.835 ( -4.273 6.482 -0.254) 7.768 18.819 ( -3.383 -5.075 3.006) 6.800 19.047 ( -0.586 -12.909 0.212) 12.924 19.366 ( 7.047 -0.274 -0.686) 7.086 19.567 ( 2.280 17.535 -4.735) 18.305 20.258 ( 11.210 -1.983 -0.705) 11.406 20.398 ( 6.911 6.217 -0.171) 9.297 20.742 ( -1.754 -0.802 3.994) 4.436 20.872 ( -1.500 0.653 -3.027) 3.441 ======================= Grid point 210 (69/90) ======================= q-point: ( 0.33 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 7.471 2.390 -1.561) 7.998 1.403 ( 9.599 5.508 -1.328) 11.146 1.565 ( 11.510 4.897 1.277) 12.573 1.627 ( 12.674 5.170 -0.767) 13.709 1.775 ( -5.324 2.822 3.685) 7.063 1.974 ( 2.407 6.196 -2.613) 7.143 2.215 ( -1.324 -3.932 0.374) 4.166 2.346 ( -1.355 -0.118 -0.978) 1.675 2.916 ( 6.957 -4.205 -2.491) 8.502 3.000 ( 9.537 -3.057 -4.956) 11.174 3.325 ( -1.041 1.295 3.453) 3.832 3.389 ( 0.810 1.862 -1.206) 2.362 3.594 ( 8.744 -0.180 0.746) 8.778 3.613 ( 14.035 0.091 -3.550) 14.477 3.916 ( 16.861 -8.220 -0.657) 18.770 4.253 ( 6.678 4.691 0.341) 8.168 4.506 ( 10.904 -0.588 0.588) 10.935 4.905 ( 19.635 12.676 -0.575) 23.378 5.205 ( 5.948 -6.731 3.499) 9.640 5.239 ( -1.731 -11.216 -0.251) 11.352 5.387 ( -0.431 -6.508 8.920) 11.051 5.675 ( -0.857 -13.725 2.626) 14.000 5.736 ( -2.911 5.421 -2.656) 6.702 6.182 ( -2.827 1.201 12.740) 13.105 6.397 ( -10.742 13.404 0.709) 17.192 6.559 ( 10.914 3.902 -15.267) 19.169 6.697 ( -14.450 -10.853 -1.349) 18.122 6.833 ( -7.894 1.021 0.894) 8.010 7.150 ( -10.406 4.045 0.142) 11.165 7.171 ( -7.703 -6.660 12.205) 15.895 7.390 ( -11.822 4.639 -2.812) 13.007 7.572 ( -9.991 -4.211 -15.358) 18.799 8.092 ( 8.651 1.557 8.301) 12.090 8.279 ( 16.704 4.706 -2.221) 17.495 8.644 ( -6.660 -6.780 -0.310) 9.509 8.964 ( -4.279 8.511 1.385) 9.626 10.639 ( 1.089 -11.760 -1.032) 11.855 10.940 ( -5.074 -7.679 0.484) 9.217 11.157 ( -1.706 9.174 -2.118) 9.569 11.283 ( -4.554 2.283 1.760) 5.389 12.422 ( 2.372 -2.711 -0.122) 3.604 12.459 ( 5.168 1.053 -0.231) 5.279 12.841 ( -8.544 -9.753 0.689) 12.984 13.165 ( -11.530 3.542 0.440) 12.070 13.722 ( 38.958 -12.939 11.011) 42.502 14.192 ( 29.217 -3.760 -19.026) 35.068 15.315 ( -15.608 -10.813 0.625) 18.998 15.553 ( -17.074 0.135 1.492) 17.140 17.298 ( -1.876 -5.631 0.064) 5.935 17.512 ( -8.799 2.066 2.237) 9.311 17.619 ( -4.419 8.177 -0.177) 9.296 17.777 ( -4.000 14.139 -0.089) 14.694 18.805 ( 1.770 -17.018 0.435) 17.115 19.020 ( -2.152 -15.555 0.235) 15.705 19.495 ( 5.348 4.749 -0.034) 7.152 19.603 ( 1.157 15.765 -1.643) 15.892 20.470 ( 9.022 -0.821 -0.130) 9.061 20.507 ( 4.320 1.728 0.439) 4.673 20.700 ( -2.230 -1.529 1.787) 3.241 20.832 ( -2.552 1.014 -1.921) 3.351 ======================= Grid point 211 (70/90) ======================= q-point: ( 0.44 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 6.897 1.171 3.340) 7.752 1.591 ( 4.527 2.037 -1.717) 5.252 1.617 ( -2.186 2.029 1.801) 3.484 1.719 ( -2.393 0.436 -4.805) 5.385 1.894 ( 12.716 1.411 0.826) 12.821 2.078 ( 8.557 5.767 -2.437) 10.603 2.118 ( -7.707 -1.875 0.926) 7.986 2.261 ( -7.039 1.785 -1.710) 7.460 3.047 ( 6.365 -0.550 4.478) 7.802 3.172 ( -0.229 -0.779 1.299) 1.532 3.218 ( 1.631 1.043 -4.891) 5.260 3.350 ( -5.300 0.861 -8.735) 10.254 3.866 ( 16.296 -2.107 1.649) 16.514 3.951 ( 15.960 1.132 -1.666) 16.087 4.108 ( -1.611 -1.361 2.519) 3.286 4.214 ( -9.469 -1.102 -3.483) 10.149 4.743 ( 12.847 -16.968 -0.211) 21.284 5.019 ( -13.344 -25.630 0.766) 28.905 5.166 ( 7.049 -6.795 6.160) 11.567 5.288 ( -5.517 -7.158 10.199) 13.627 5.597 ( 15.422 8.859 4.975) 18.468 5.661 ( -1.186 -1.752 -2.514) 3.286 5.707 ( 7.496 3.455 -5.541) 9.941 6.107 ( -17.326 16.207 -1.081) 23.749 6.258 ( 9.230 -0.239 18.792) 20.938 6.482 ( -7.198 0.506 9.603) 12.012 6.731 ( -1.750 4.430 -2.210) 5.251 6.769 ( -3.108 2.837 -16.765) 17.285 6.946 ( 2.542 -4.238 -2.528) 5.551 7.042 ( -3.243 -2.121 4.623) 6.032 7.186 ( -5.105 5.971 -4.097) 8.860 7.325 ( -13.097 -1.258 -14.583) 19.641 8.298 ( 10.301 -5.906 4.600) 12.734 8.478 ( -6.048 -7.907 3.932) 10.703 8.641 ( 12.611 7.184 -2.158) 14.673 8.856 ( -7.427 9.051 1.093) 11.759 10.694 ( 4.342 -10.672 -1.287) 11.593 10.811 ( -6.673 -9.099 -0.985) 11.326 11.148 ( 1.021 8.416 0.290) 8.483 11.197 ( -3.584 5.430 1.005) 6.583 12.511 ( 6.143 -5.527 -0.394) 8.273 12.629 ( 8.058 -0.569 1.178) 8.163 12.671 ( -4.882 -6.146 -1.217) 7.942 12.901 ( -13.551 2.664 0.375) 13.815 14.422 ( 29.503 -11.470 6.799) 32.376 14.726 ( 23.294 -4.166 -9.392) 25.459 14.941 ( -21.295 -11.124 1.874) 24.098 15.169 ( -20.117 -1.921 -1.484) 20.263 17.293 ( 1.553 -2.809 0.629) 3.271 17.365 ( -5.418 -0.048 1.451) 5.610 17.599 ( 2.007 11.921 -0.669) 12.108 17.678 ( -5.045 14.937 -0.680) 15.780 18.872 ( 4.184 -20.121 -0.081) 20.551 18.957 ( -3.842 -18.495 0.065) 18.890 19.579 ( 2.763 9.282 0.229) 9.687 19.611 ( -0.488 13.020 -0.186) 13.031 20.576 ( 3.087 -0.469 1.629) 3.522 20.614 ( 1.833 -2.339 2.920) 4.166 20.673 ( 2.118 -0.033 -2.745) 3.467 20.763 ( -4.218 0.757 -1.957) 4.711 ======================= Grid point 216 (71/90) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.000 5.298 9.412) 10.801 1.176 ( 0.000 6.332 2.320) 6.744 1.402 ( 0.000 3.172 -9.716) 10.221 1.503 ( 0.000 13.099 -11.753) 17.599 1.836 ( 0.000 26.414 0.529) 26.419 1.853 ( 0.000 23.610 -1.490) 23.657 2.216 ( 0.000 6.056 3.766) 7.131 2.271 ( 0.000 1.480 -2.155) 2.614 2.514 ( 0.000 9.694 7.649) 12.349 2.614 ( 0.000 6.871 -1.976) 7.150 3.210 ( 0.000 -4.339 8.093) 9.182 3.285 ( 0.000 17.011 4.529) 17.603 3.363 ( 0.000 9.363 -1.829) 9.540 3.398 ( 0.000 -1.728 -8.566) 8.738 3.618 ( 0.000 8.976 7.133) 11.465 3.722 ( 0.000 4.312 -2.850) 5.168 4.385 ( 0.000 11.179 7.825) 13.646 4.555 ( 0.000 4.990 -9.011) 10.300 4.707 ( 0.000 7.457 10.959) 13.255 4.963 ( 0.000 7.223 -13.271) 15.109 5.730 ( 0.000 5.123 1.179) 5.257 5.744 ( 0.000 1.366 -1.409) 1.962 5.828 ( 0.000 -9.938 4.710) 10.998 5.941 ( 0.000 -12.643 -5.248) 13.689 6.303 ( 0.000 4.234 -1.042) 4.360 6.321 ( 0.000 4.455 -2.129) 4.938 7.012 ( 0.000 -0.095 -2.214) 2.216 7.028 ( 0.000 -7.180 -2.517) 7.609 7.279 ( 0.000 -6.258 9.305) 11.213 7.420 ( 0.000 -8.833 -2.174) 9.097 7.799 ( 0.000 -7.286 1.488) 7.436 7.850 ( 0.000 -4.510 -2.640) 5.226 8.209 ( 0.000 6.416 4.721) 7.966 8.262 ( 0.000 8.642 -1.279) 8.736 9.224 ( 0.000 -17.778 19.268) 26.217 9.600 ( 0.000 -23.486 -17.097) 29.050 10.551 ( 0.000 8.005 0.476) 8.019 10.564 ( 0.000 4.414 -1.037) 4.534 10.913 ( 0.000 -1.048 2.690) 2.887 10.944 ( 0.000 -12.305 0.354) 12.310 11.834 ( 0.000 3.643 20.100) 20.427 12.317 ( 0.000 6.677 -23.301) 24.239 12.639 ( 0.000 6.497 -5.334) 8.406 12.671 ( 0.000 7.506 -3.969) 8.491 13.296 ( 0.000 -2.410 5.042) 5.589 13.391 ( 0.000 -3.661 -4.224) 5.589 15.797 ( 0.000 -8.017 13.253) 15.489 16.013 ( 0.000 -3.986 -8.582) 9.463 17.419 ( 0.000 -6.819 5.464) 8.738 17.499 ( 0.000 -4.817 -1.561) 5.063 18.169 ( 0.000 2.266 1.199) 2.563 18.201 ( 0.000 0.971 -1.766) 2.016 18.862 ( 0.000 -12.293 0.085) 12.293 18.886 ( 0.000 -11.243 -1.904) 11.404 19.542 ( 0.000 21.252 15.349) 26.215 19.814 ( 0.000 10.113 -6.774) 12.172 20.004 ( 0.000 -0.716 1.465) 1.630 20.119 ( 0.000 8.091 -13.883) 16.069 20.794 ( 0.000 1.003 4.487) 4.597 20.883 ( 0.000 -1.305 -3.991) 4.199 ======================= Grid point 217 (72/90) ======================= q-point: ( 0.11 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 7.342 4.906 5.258) 10.278 1.317 ( 10.426 8.418 7.624) 15.417 1.376 ( -0.702 3.871 -10.423) 11.141 1.553 ( 4.049 10.255 -10.719) 15.377 1.809 ( 2.844 20.560 0.307) 20.758 2.009 ( 6.087 18.520 -1.177) 19.530 2.200 ( -1.035 7.407 2.788) 7.981 2.298 ( 1.893 0.831 -0.641) 2.164 2.538 ( 4.002 4.864 5.740) 8.522 2.666 ( 3.080 3.941 -3.637) 6.184 3.218 ( 3.556 1.479 5.629) 6.820 3.305 ( 2.372 14.049 2.338) 14.438 3.341 ( 0.149 2.763 -5.044) 5.753 3.444 ( -0.345 -1.135 2.858) 3.094 3.534 ( 1.335 2.769 -5.711) 6.486 3.920 ( 10.679 7.998 2.041) 13.497 4.413 ( 4.424 8.783 10.431) 14.336 4.579 ( 4.004 16.373 1.555) 16.927 4.903 ( 14.763 -3.733 -3.143) 15.548 5.030 ( 5.454 6.129 -8.690) 11.951 5.437 ( -14.045 -2.619 -1.593) 14.376 5.503 ( -16.202 -11.595 1.176) 19.958 5.933 ( 2.710 6.273 0.777) 6.877 6.185 ( 10.387 -5.210 -3.301) 12.080 6.357 ( 1.973 2.535 1.508) 3.549 6.413 ( 9.877 -0.574 -2.062) 10.107 6.974 ( -2.259 -8.937 0.155) 9.219 7.057 ( 0.759 3.303 -2.096) 3.985 7.271 ( -0.695 -5.424 9.389) 10.865 7.446 ( 2.078 -10.239 -3.951) 11.170 7.657 ( -15.182 -4.460 2.192) 15.975 7.772 ( -5.419 -3.522 -2.590) 6.963 8.153 ( -4.717 6.941 2.596) 8.784 8.230 ( -1.411 8.945 0.058) 9.055 9.012 ( -14.945 -7.807 9.642) 19.423 9.375 ( -14.840 -10.600 -7.956) 19.897 10.406 ( 1.420 -3.910 -2.498) 4.852 10.889 ( 0.366 -0.929 0.580) 1.155 11.006 ( 6.778 -8.368 1.403) 10.860 11.374 ( 39.638 -13.723 1.189) 41.963 11.715 ( -1.353 7.140 11.140) 13.301 12.501 ( -1.127 3.638 2.639) 4.633 12.583 ( 2.638 1.082 -4.149) 5.034 12.724 ( 8.547 5.833 -14.779) 18.041 13.232 ( -1.142 -0.752 -4.877) 5.065 13.441 ( 1.881 -2.565 -1.331) 3.448 15.659 ( -11.193 -8.810 6.739) 15.758 15.986 ( -4.348 -4.550 -2.359) 6.721 17.334 ( -4.356 -4.486 1.584) 6.450 17.625 ( 8.030 -6.092 2.141) 10.304 18.049 ( -10.061 3.420 -0.410) 10.634 18.084 ( -9.713 2.053 0.090) 9.928 18.807 ( -2.056 -12.298 -0.696) 12.488 19.045 ( 9.971 -9.717 -0.188) 13.924 19.338 ( -15.816 20.663 7.501) 27.081 19.811 ( 0.252 10.565 -6.964) 12.656 20.016 ( 7.225 -1.765 -0.279) 7.443 20.349 ( 11.385 5.898 -3.780) 13.368 20.770 ( -1.929 -0.110 2.903) 3.487 20.891 ( 0.362 -0.197 -2.540) 2.573 ======================= Grid point 218 (73/90) ======================= q-point: ( 0.22 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 9.169 5.271 -1.629) 10.701 1.402 ( 3.416 6.534 -4.277) 8.524 1.497 ( 7.270 7.471 5.113) 11.611 1.630 ( 2.670 9.777 -4.852) 11.236 1.946 ( 9.016 8.829 0.855) 12.648 2.072 ( 0.591 15.020 0.195) 15.033 2.146 ( -3.211 1.777 0.840) 3.765 2.338 ( 1.324 -0.102 1.618) 2.093 2.689 ( 8.882 -1.213 -2.984) 9.448 2.711 ( 3.435 -3.380 -2.971) 5.661 3.318 ( 4.002 5.336 -1.723) 6.889 3.373 ( 5.071 1.211 -1.161) 5.341 3.420 ( 3.955 -0.148 3.251) 5.122 3.519 ( 9.649 1.947 1.375) 9.939 3.580 ( 3.515 3.234 -2.761) 5.517 4.130 ( 9.747 2.520 0.524) 10.081 4.504 ( 3.056 11.771 8.982) 15.118 4.785 ( 15.945 9.858 0.865) 18.766 5.081 ( -2.357 0.343 0.245) 2.394 5.190 ( -11.297 -19.271 -1.657) 22.400 5.215 ( 7.372 1.554 -0.619) 7.560 5.279 ( 3.939 -8.551 -4.355) 10.373 5.915 ( -3.662 5.465 -1.163) 6.680 6.340 ( -3.345 6.012 6.282) 9.317 6.350 ( 6.285 -7.117 0.516) 9.509 6.551 ( 1.050 -0.711 -8.942) 9.032 6.933 ( -3.456 -10.518 4.665) 12.014 7.005 ( -5.115 3.023 0.307) 5.949 7.130 ( -16.664 -3.626 5.491) 17.917 7.364 ( -4.071 3.047 4.145) 6.561 7.532 ( 2.510 -8.059 -9.525) 12.727 7.646 ( -6.739 -0.742 -2.094) 7.096 8.096 ( 1.770 7.767 3.004) 8.513 8.221 ( 0.381 7.542 0.584) 7.574 8.725 ( -12.186 -4.459 0.125) 12.976 9.170 ( -5.047 1.284 -0.849) 5.276 10.423 ( 0.012 -9.119 -2.588) 9.479 10.893 ( -1.093 -2.666 -0.439) 2.915 11.124 ( 4.839 -9.827 3.613) 11.534 11.455 ( -7.515 2.937 3.347) 8.735 12.380 ( -0.977 -4.936 0.027) 5.032 12.435 ( 26.016 -9.551 0.962) 27.731 12.594 ( 14.957 3.295 6.195) 16.521 12.835 ( -3.536 -4.458 1.152) 5.806 13.359 ( -0.055 -0.706 0.860) 1.114 13.544 ( 20.087 -3.087 -21.569) 29.635 15.397 ( -13.902 -10.485 2.112) 17.540 15.811 ( -12.421 -5.321 1.557) 13.602 17.265 ( -2.299 -2.383 -0.037) 3.311 17.754 ( -0.286 -3.321 5.291) 6.253 17.829 ( -8.208 -0.008 -1.446) 8.334 17.913 ( -3.043 8.850 -0.509) 9.372 18.735 ( -5.803 -12.243 -0.779) 13.571 19.014 ( -12.383 14.779 3.021) 19.516 19.280 ( 10.634 -7.725 -1.335) 13.212 19.824 ( 0.476 8.821 -3.076) 9.354 20.219 ( 11.151 -1.841 0.280) 11.305 20.505 ( 4.259 3.792 -0.608) 5.735 20.726 ( -2.310 -0.621 0.733) 2.502 20.885 ( -1.055 0.543 -0.736) 1.397 ======================= Grid point 219 (74/90) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 5.222 4.653 -1.401) 7.133 1.522 ( 7.108 6.303 -2.733) 9.885 1.646 ( 6.782 1.370 1.517) 7.084 1.677 ( 2.009 4.757 0.088) 5.164 1.972 ( -4.324 12.916 2.978) 13.942 2.115 ( 3.873 7.948 -3.115) 9.374 2.142 ( 0.014 -2.850 -0.823) 2.967 2.330 ( -1.529 -1.161 -0.768) 2.068 2.828 ( 9.334 -4.594 0.880) 10.441 2.925 ( 12.352 -3.373 -5.703) 14.017 3.364 ( -5.463 -0.148 1.941) 5.800 3.414 ( 3.459 3.056 -0.520) 4.644 3.566 ( 3.894 -2.433 0.384) 4.608 3.598 ( 13.156 -3.259 -3.721) 14.055 3.869 ( 16.362 4.758 1.359) 17.094 4.268 ( 1.686 -3.632 0.308) 4.016 4.546 ( 0.759 3.733 -0.591) 3.855 4.858 ( -15.615 -21.293 1.658) 26.457 4.982 ( -1.209 -2.431 1.174) 2.958 5.214 ( 7.732 -8.400 4.804) 12.386 5.293 ( 10.364 5.876 5.119) 12.967 5.494 ( 9.671 -6.177 -4.778) 12.431 5.805 ( -6.700 1.019 -1.367) 6.913 6.227 ( -4.517 1.738 11.116) 12.124 6.454 ( -1.313 -7.631 0.162) 7.745 6.530 ( 1.119 1.244 -7.908) 8.083 6.727 ( -7.341 8.949 -0.077) 11.575 6.874 ( -5.940 1.246 0.628) 6.102 6.967 ( -3.018 -10.089 1.996) 10.719 7.278 ( -7.309 6.939 1.904) 10.257 7.443 ( -9.318 -0.952 -11.025) 14.466 7.524 ( -6.727 1.611 -2.653) 7.408 8.151 ( 1.416 4.442 8.661) 9.836 8.354 ( 11.203 1.969 2.731) 11.698 8.550 ( -2.714 -2.073 -6.616) 7.445 9.109 ( -2.676 5.652 0.590) 6.281 10.435 ( 1.956 -8.752 -2.375) 9.277 10.822 ( -5.798 -3.753 -1.136) 6.999 11.195 ( 1.963 -8.078 4.777) 9.588 11.320 ( -5.183 3.701 3.512) 7.272 12.332 ( 0.281 -5.949 -2.523) 6.468 12.514 ( 3.386 3.889 -0.130) 5.158 12.701 ( -7.896 -3.972 0.057) 8.839 13.207 ( -10.486 1.456 0.599) 10.604 13.425 ( 39.697 -16.177 8.753) 43.751 14.075 ( 26.838 -8.019 -16.305) 32.410 15.088 ( -16.594 -11.882 0.390) 20.413 15.492 ( -18.286 -6.125 2.121) 19.401 17.244 ( 0.334 -0.477 -0.059) 0.585 17.580 ( -9.780 4.494 2.915) 11.150 17.758 ( -0.469 2.398 -1.193) 2.719 17.975 ( 3.215 7.812 0.921) 8.498 18.587 ( -6.462 -9.925 -1.514) 11.940 18.818 ( -7.499 1.064 1.048) 7.646 19.490 ( 9.337 -4.937 -0.323) 10.566 19.816 ( -1.437 6.085 -0.895) 6.316 20.437 ( 9.433 -1.996 1.826) 9.813 20.557 ( 1.648 2.213 -0.492) 2.803 20.676 ( -2.373 -0.510 -1.152) 2.686 20.846 ( -2.795 0.340 0.005) 2.816 ======================= Grid point 220 (75/90) ======================= q-point: ( 0.44 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 5.955 3.227 4.156) 7.947 1.629 ( -2.281 1.872 3.556) 4.621 1.665 ( 3.014 2.770 -3.797) 5.583 1.734 ( -0.611 1.406 -3.360) 3.693 1.972 ( 4.921 5.560 -0.515) 7.443 2.092 ( -4.898 -0.110 -0.049) 4.900 2.187 ( 4.310 4.536 -3.713) 7.276 2.279 ( -3.787 -0.028 -2.178) 4.369 3.027 ( 9.114 -1.736 6.019) 11.060 3.162 ( 4.830 0.058 -0.911) 4.915 3.233 ( -1.419 0.047 -2.501) 2.876 3.376 ( -5.994 1.947 -7.019) 9.433 3.793 ( 16.163 -5.432 1.709) 17.137 3.923 ( 16.630 -6.417 -1.843) 17.920 4.122 ( 0.928 3.307 1.134) 3.617 4.148 ( -9.278 -5.233 -1.419) 10.746 4.505 ( -4.800 -13.903 -1.603) 14.795 4.545 ( -10.664 -13.803 1.382) 17.497 5.007 ( 4.239 -7.712 3.089) 9.327 5.133 ( -7.160 -8.374 5.116) 12.147 5.558 ( 4.868 -6.975 0.740) 8.538 5.657 ( -5.467 -2.805 0.732) 6.187 5.754 ( 17.655 -1.034 1.928) 17.790 6.112 ( -13.769 -8.032 6.167) 17.091 6.422 ( 9.232 8.924 9.717) 16.103 6.590 ( 1.324 5.734 3.701) 6.952 6.770 ( -2.409 -0.034 -5.375) 5.890 6.807 ( 8.244 1.026 -7.327) 11.077 6.889 ( -5.247 -3.596 -5.652) 8.509 7.035 ( -13.562 6.632 -0.245) 15.099 7.295 ( -2.607 5.040 -7.080) 9.073 7.362 ( -7.509 5.798 -3.850) 10.239 8.225 ( 5.689 -1.327 5.283) 7.876 8.351 ( -5.855 -4.583 4.302) 8.590 8.760 ( 14.821 4.441 -3.430) 15.848 9.004 ( -8.396 5.518 -0.292) 10.051 10.519 ( 6.173 -6.873 -2.069) 9.467 10.672 ( -8.106 -4.738 -1.633) 9.530 11.216 ( 0.744 -3.782 4.654) 6.044 11.245 ( -2.345 1.110 4.313) 5.033 12.394 ( 5.427 -5.852 -2.632) 8.404 12.535 ( -7.833 -4.544 -1.673) 9.209 12.670 ( 11.231 2.122 -0.032) 11.430 12.940 ( -14.118 1.713 0.442) 14.228 14.154 ( 30.859 -14.860 4.745) 34.577 14.600 ( 24.096 -8.455 -7.317) 26.564 14.696 ( -21.969 -13.242 1.037) 25.673 15.077 ( -21.939 -7.263 -0.680) 23.120 17.286 ( 3.879 1.479 1.061) 4.285 17.402 ( -7.356 3.318 2.120) 8.343 17.816 ( 5.626 7.420 -1.717) 9.469 17.947 ( -5.600 10.830 -0.769) 12.216 18.555 ( 3.399 -11.387 -0.445) 11.892 18.672 ( -6.908 -7.235 0.562) 10.019 19.654 ( 6.649 -1.437 0.175) 6.804 19.762 ( -3.906 2.420 0.085) 4.595 20.564 ( 2.494 -0.928 2.765) 3.837 20.594 ( 0.246 0.726 1.875) 2.025 20.665 ( 3.732 -0.679 -3.922) 5.456 20.769 ( -4.757 -0.224 -0.827) 4.834 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 4.107 -3.763) 5.570 1.227 ( 0.000 16.574 -5.772) 17.551 1.574 ( 0.000 10.126 5.049) 11.315 1.727 ( 0.000 9.437 -8.990) 13.034 2.096 ( 0.000 2.526 1.027) 2.727 2.112 ( 0.000 0.957 -0.276) 0.996 2.441 ( 0.000 15.160 3.082) 15.471 2.476 ( 0.000 17.323 -0.085) 17.323 2.727 ( 0.000 12.678 2.877) 13.001 2.732 ( 0.000 4.626 4.155) 6.218 3.129 ( 0.000 -2.727 6.594) 7.136 3.352 ( 0.000 -2.568 -12.646) 12.904 3.466 ( 0.000 4.106 1.450) 4.355 3.497 ( 0.000 5.344 0.109) 5.345 3.732 ( 0.000 -4.907 2.989) 5.745 3.795 ( 0.000 3.668 -2.185) 4.270 4.510 ( 0.000 5.013 7.794) 9.267 4.628 ( 0.000 3.006 -4.673) 5.556 4.986 ( 0.000 17.834 7.190) 19.229 5.139 ( 0.000 9.367 -6.773) 11.559 5.637 ( 0.000 -5.977 5.260) 7.961 5.650 ( 0.000 -4.096 5.534) 6.885 5.887 ( 0.000 2.009 -3.161) 3.745 5.917 ( 0.000 10.039 -7.646) 12.620 6.425 ( 0.000 8.036 -2.495) 8.415 6.447 ( 0.000 8.445 -3.236) 9.044 6.830 ( 0.000 -11.113 7.350) 13.324 6.999 ( 0.000 -2.261 -9.375) 9.644 7.244 ( 0.000 1.141 1.382) 1.792 7.291 ( 0.000 -3.493 -2.148) 4.100 7.639 ( 0.000 -8.917 4.892) 10.171 7.732 ( 0.000 -7.513 -3.838) 8.436 8.290 ( 0.000 1.724 11.047) 11.181 8.406 ( 0.000 5.977 -0.943) 6.051 8.975 ( 0.000 -8.566 7.448) 11.351 9.176 ( 0.000 -19.963 -11.586) 23.082 10.449 ( 0.000 -15.226 10.481) 18.485 10.638 ( 0.000 -1.001 -7.368) 7.436 10.893 ( 0.000 6.594 1.237) 6.709 10.940 ( 0.000 5.568 -3.868) 6.780 11.856 ( 0.000 -0.897 23.511) 23.528 12.402 ( 0.000 2.266 -25.771) 25.870 12.729 ( 0.000 3.616 -0.195) 3.621 12.822 ( 0.000 7.761 -5.419) 9.466 13.254 ( 0.000 -1.874 3.518) 3.986 13.325 ( 0.000 -3.084 -3.494) 4.660 15.635 ( 0.000 -8.279 16.805) 18.734 15.917 ( 0.000 -5.629 -11.227) 12.559 17.319 ( 0.000 -3.596 7.009) 7.877 17.447 ( 0.000 -0.984 -4.960) 5.056 18.219 ( 0.000 2.569 0.500) 2.617 18.226 ( 0.000 1.429 -0.279) 1.456 18.642 ( 0.000 -9.950 0.888) 9.990 18.687 ( 0.000 -8.836 -3.047) 9.346 19.876 ( 0.000 -1.044 2.686) 2.882 19.876 ( 0.000 8.831 5.796) 10.563 19.992 ( 0.000 3.620 9.008) 9.708 20.308 ( 0.000 9.875 -17.978) 20.512 20.808 ( 0.000 0.249 1.965) 1.981 20.852 ( 0.000 -1.965 -2.131) 2.899 ======================= Grid point 226 (77/90) ======================= q-point: ( 0.11 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 4.013 8.019 -7.938) 11.976 1.403 ( 11.579 8.934 -1.659) 14.719 1.551 ( -0.223 8.800 3.459) 9.458 1.748 ( 1.114 9.850 -6.943) 12.102 2.085 ( 0.645 4.043 0.834) 4.178 2.115 ( -1.100 -0.713 -0.109) 1.315 2.401 ( -2.454 8.965 4.281) 10.233 2.558 ( 2.142 20.755 -0.914) 20.886 2.639 ( -2.634 5.375 2.282) 6.406 2.767 ( -1.048 7.449 1.628) 7.697 3.188 ( 6.752 -1.559 6.333) 9.388 3.367 ( 1.010 0.643 -7.170) 7.270 3.419 ( -4.238 -1.371 1.068) 4.581 3.529 ( 2.221 3.384 -0.314) 4.060 3.620 ( -0.029 7.738 -3.452) 8.474 3.944 ( 6.826 -5.929 -0.178) 9.043 4.560 ( 4.618 3.075 11.012) 12.331 4.730 ( 6.985 -6.005 -4.211) 10.128 4.939 ( -3.808 15.612 2.154) 16.214 5.192 ( 4.277 9.385 -3.132) 10.779 5.377 ( -15.454 -0.360 3.305) 15.807 5.434 ( -12.573 1.090 -2.459) 12.858 5.990 ( 6.335 2.138 5.797) 8.849 6.168 ( 7.076 3.177 -10.838) 13.327 6.384 ( 3.120 1.444 0.321) 3.453 6.546 ( 4.927 10.675 -2.509) 12.022 6.749 ( -5.197 -12.599 5.414) 14.664 7.140 ( 9.231 2.512 -4.202) 10.449 7.190 ( -4.223 -2.982 -0.132) 5.171 7.296 ( -0.180 -3.371 -2.188) 4.023 7.551 ( -8.440 -6.078 2.875) 10.791 7.669 ( -4.243 -6.893 -1.894) 8.313 8.259 ( -2.599 3.914 6.904) 8.351 8.384 ( -1.429 6.645 1.422) 6.944 8.872 ( -9.260 -6.390 1.758) 11.387 9.137 ( -1.920 -12.784 -5.488) 14.044 10.310 ( -3.584 -6.713 2.085) 7.890 10.840 ( 2.695 -9.078 -0.448) 9.480 10.931 ( -0.599 4.446 -1.677) 4.790 11.176 ( 27.902 -5.826 0.060) 28.504 11.812 ( 0.464 3.189 16.346) 16.661 12.519 ( -5.429 -4.264 -13.177) 14.876 12.602 ( 5.608 5.007 3.058) 8.117 12.854 ( -0.725 6.429 -7.145) 9.639 13.229 ( 0.369 0.283 -5.628) 5.647 13.375 ( 2.895 -3.739 -0.594) 4.766 15.498 ( -11.646 -7.331 9.290) 16.604 15.861 ( -6.142 -7.886 -4.049) 10.785 17.283 ( -2.092 -1.222 2.997) 3.854 17.527 ( 5.456 -3.916 -1.498) 6.881 18.112 ( -9.167 3.229 1.024) 9.773 18.155 ( -4.784 4.794 -0.120) 6.773 18.592 ( -3.032 -9.539 -0.459) 10.020 18.838 ( 10.716 -10.836 -1.349) 15.299 19.690 ( -15.293 13.321 8.432) 21.964 19.930 ( -0.584 1.806 -4.367) 4.762 19.996 ( 8.187 1.862 0.711) 8.426 20.436 ( 6.968 3.039 -5.036) 9.119 20.766 ( -2.245 -0.170 0.453) 2.297 20.884 ( 1.366 -0.671 -0.991) 1.816 ======================= Grid point 227 (78/90) ======================= q-point: ( 0.22 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 8.003 5.207 -6.732) 11.683 1.547 ( 3.869 7.975 -0.940) 8.914 1.666 ( 6.771 8.230 3.483) 11.212 1.757 ( 0.922 6.581 -5.104) 8.380 2.070 ( -1.506 -3.333 0.740) 3.732 2.134 ( 2.807 6.069 -0.277) 6.693 2.335 ( -4.143 3.434 6.882) 8.736 2.491 ( -5.531 15.198 -3.325) 16.511 2.664 ( 1.725 0.749 1.765) 2.579 2.732 ( 1.875 5.772 -4.604) 7.618 3.322 ( 0.759 -3.440 0.471) 3.554 3.373 ( 6.036 0.001 2.934) 6.711 3.427 ( 2.236 1.362 -3.140) 4.088 3.561 ( 0.099 1.282 0.422) 1.353 3.744 ( 11.569 10.378 0.182) 15.543 4.070 ( 5.051 -8.298 -0.509) 9.727 4.625 ( -1.826 -11.371 8.439) 14.278 4.802 ( -1.589 0.503 2.633) 3.116 4.876 ( 0.298 -3.003 -6.803) 7.443 5.119 ( -8.026 2.340 3.520) 9.071 5.257 ( -1.377 1.588 -2.414) 3.201 5.317 ( 4.542 7.655 -2.366) 9.210 5.975 ( -7.302 1.098 1.379) 7.512 6.226 ( 1.579 -1.133 -0.894) 2.139 6.472 ( 1.189 1.465 1.461) 2.386 6.573 ( -4.598 -0.009 2.454) 5.211 6.693 ( 1.487 -7.242 -2.350) 7.758 7.050 ( -7.393 -0.310 -1.618) 7.574 7.133 ( -10.752 2.784 2.015) 11.288 7.376 ( 4.199 -0.503 -4.116) 5.901 7.447 ( 1.824 -0.796 -0.597) 2.077 7.600 ( -2.165 -3.828 -1.028) 4.516 8.228 ( 1.015 5.605 4.677) 7.370 8.362 ( -0.910 7.041 4.098) 8.197 8.655 ( -10.217 -2.640 -4.493) 11.469 9.138 ( 1.644 -4.455 -1.240) 4.908 10.288 ( 0.239 -4.595 -1.379) 4.803 10.882 ( 0.951 -9.548 2.419) 9.895 10.903 ( -0.715 -0.598 -0.835) 1.251 11.443 ( -2.315 -4.597 4.197) 6.641 12.187 ( 26.167 -9.432 7.814) 28.892 12.345 ( -0.796 -1.795 -6.441) 6.734 12.702 ( 2.492 4.391 7.425) 8.979 12.820 ( -3.510 2.597 -0.749) 4.430 13.341 ( 1.960 -0.819 -1.215) 2.447 13.453 ( 13.506 -5.512 -16.957) 22.368 15.217 ( -14.998 -7.268 2.699) 16.884 15.659 ( -13.265 -9.916 1.630) 16.642 17.253 ( -0.708 0.686 0.267) 1.022 17.612 ( 2.442 -7.792 0.100) 8.167 17.902 ( -10.744 4.953 2.476) 12.087 18.109 ( 1.651 11.085 0.076) 11.208 18.495 ( -6.536 -11.458 -0.873) 13.220 19.081 ( 12.325 -11.244 -0.794) 16.702 19.352 ( -16.400 16.339 1.881) 23.226 19.918 ( -1.650 1.292 -2.184) 3.026 20.196 ( 10.583 -0.150 1.099) 10.641 20.527 ( 2.424 -1.608 -0.738) 3.001 20.731 ( -1.443 1.395 -0.791) 2.157 20.888 ( -1.067 -0.390 -0.039) 1.137 ======================= Grid point 228 (79/90) ======================= q-point: ( 0.33 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 5.508 4.520 0.384) 7.135 1.636 ( 4.359 5.380 -4.601) 8.314 1.716 ( 1.263 6.309 0.783) 6.481 1.782 ( -0.471 5.565 0.407) 5.599 2.046 ( -1.321 -3.172 0.770) 3.522 2.198 ( 1.237 5.143 1.193) 5.423 2.239 ( -3.018 1.331 3.273) 4.647 2.359 ( -6.700 6.217 -6.530) 11.233 2.761 ( 9.394 -1.008 5.309) 10.837 2.902 ( 12.710 1.135 -8.422) 15.289 3.326 ( -2.366 -1.522 -0.169) 2.818 3.486 ( 4.310 -6.099 0.524) 7.486 3.491 ( 5.213 -0.663 -0.878) 5.327 3.534 ( -0.209 1.631 -0.198) 1.657 4.039 ( 15.475 9.384 3.832) 18.499 4.119 ( -1.295 -10.514 -0.280) 10.597 4.414 ( -15.734 -16.912 -1.703) 23.162 4.721 ( -5.236 8.861 1.461) 10.396 4.921 ( -1.771 -5.370 1.459) 5.839 5.036 ( 0.987 -6.396 2.129) 6.813 5.306 ( 3.584 -4.880 -0.016) 6.055 5.424 ( 7.255 -2.859 -2.362) 8.147 5.773 ( -11.368 -4.084 -0.160) 12.081 6.168 ( -7.942 -4.282 4.731) 10.188 6.433 ( -2.755 -4.580 5.593) 7.736 6.509 ( 0.651 1.251 5.252) 5.438 6.714 ( 0.295 -4.932 -10.770) 11.849 6.906 ( -6.525 -2.097 -4.024) 7.948 6.978 ( -2.592 12.276 0.563) 12.559 7.380 ( -1.418 3.691 0.233) 3.961 7.460 ( -3.404 3.505 -6.007) 7.743 7.566 ( -2.591 1.374 -0.030) 2.933 8.253 ( -1.454 5.051 12.222) 13.304 8.364 ( 0.221 1.314 5.776) 5.928 8.561 ( 5.047 1.877 -12.736) 13.827 9.155 ( -1.440 -1.374 -0.729) 2.119 10.316 ( 3.275 -3.136 -2.405) 5.133 10.807 ( -6.217 2.233 -0.852) 6.660 10.966 ( 4.343 -13.841 3.809) 14.998 11.333 ( -6.633 -2.614 5.777) 9.176 12.230 ( 0.540 -3.770 -4.795) 6.124 12.555 ( 4.231 -1.282 -0.213) 4.426 12.684 ( -8.388 1.878 0.148) 8.597 13.134 ( 20.309 -10.685 8.309) 24.406 13.262 ( 6.369 2.687 0.498) 6.931 13.899 ( 24.902 -9.617 -13.970) 30.129 14.886 ( -17.675 -7.932 0.425) 19.378 15.328 ( -18.729 -10.346 2.615) 21.556 17.261 ( 1.749 1.944 -0.202) 2.623 17.651 ( -1.116 -3.406 2.622) 4.441 17.694 ( -5.599 0.398 -0.339) 5.623 18.173 ( -0.484 8.926 0.759) 8.971 18.371 ( -1.293 -7.440 -1.511) 7.701 19.032 ( -14.389 15.560 0.381) 21.197 19.331 ( 11.389 -10.760 -0.633) 15.681 19.849 ( -4.997 -2.181 -0.409) 5.468 20.404 ( 9.132 -1.235 3.192) 9.753 20.568 ( 2.248 -1.016 -2.333) 3.396 20.691 ( -2.565 1.817 -1.082) 3.325 20.843 ( -3.272 -0.718 0.398) 3.373 ======================= Grid point 229 (80/90) ======================= q-point: ( 0.44 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 4.383 3.669 5.912) 8.223 1.675 ( -3.414 3.179 5.279) 7.045 1.727 ( 3.172 3.686 -5.510) 7.349 1.784 ( -0.883 3.994 -3.523) 5.399 2.039 ( 2.232 0.398 0.410) 2.304 2.127 ( -4.884 3.082 2.411) 6.259 2.246 ( 0.270 0.964 -4.051) 4.173 2.266 ( -2.038 -0.836 -4.924) 5.395 2.994 ( 11.669 -0.771 6.123) 13.200 3.178 ( 4.797 1.647 -1.038) 5.177 3.222 ( 0.688 -0.612 -2.998) 3.137 3.416 ( -7.227 1.436 -3.323) 8.083 3.663 ( 11.955 -7.610 0.637) 14.186 3.728 ( 14.088 -11.918 -2.782) 18.661 3.958 ( -13.466 -12.312 1.026) 18.274 4.066 ( -17.189 -15.961 -4.484) 23.881 4.351 ( 13.702 10.608 3.042) 17.593 4.581 ( -8.713 8.904 2.053) 12.625 4.902 ( 1.940 -2.935 1.257) 3.736 4.989 ( -5.196 -5.796 1.586) 7.944 5.390 ( 4.905 -9.783 1.443) 11.039 5.542 ( -10.081 -8.609 1.212) 13.313 5.650 ( 13.775 -9.588 1.260) 16.831 5.940 ( -13.449 -9.676 4.935) 17.287 6.463 ( 5.312 -5.488 7.086) 10.419 6.540 ( 0.123 -3.190 5.223) 6.121 6.719 ( 0.324 -6.230 -12.977) 14.398 6.773 ( -5.743 -4.060 -9.968) 12.199 7.038 ( 8.154 17.327 1.914) 19.245 7.259 ( -11.150 12.357 1.527) 16.714 7.414 ( 1.522 6.789 -4.580) 8.330 7.484 ( -4.562 5.716 -1.966) 7.572 8.247 ( 1.955 3.280 7.640) 8.541 8.313 ( -3.715 0.978 5.607) 6.796 8.797 ( 13.715 -0.718 -5.851) 14.928 9.044 ( -9.360 -1.780 -2.108) 9.758 10.442 ( 8.652 -0.903 -1.936) 8.912 10.639 ( -9.683 1.405 -1.350) 9.877 11.068 ( 5.608 -10.513 4.342) 12.682 11.195 ( -6.633 -5.755 5.284) 10.249 12.315 ( 7.199 -1.692 -3.918) 8.369 12.494 ( -9.549 0.540 -1.892) 9.749 12.702 ( 10.514 0.065 -0.033) 10.514 12.959 ( -13.416 -0.702 0.428) 13.441 13.904 ( 31.671 -9.310 4.061) 33.260 14.414 ( 24.772 -10.468 -6.185) 27.596 14.470 ( -23.567 -8.852 1.115) 25.199 14.902 ( -22.587 -10.352 -0.032) 24.846 17.333 ( 5.318 3.058 1.082) 6.229 17.477 ( -8.613 4.205 2.495) 9.904 17.797 ( 8.785 -7.205 -1.828) 11.508 18.010 ( -11.114 -5.413 -1.624) 12.468 18.511 ( 10.843 8.461 0.269) 13.756 18.755 ( -12.712 12.560 0.297) 17.873 19.546 ( 9.515 -8.963 -0.021) 13.072 19.720 ( -7.465 -6.045 0.201) 9.608 20.550 ( 4.822 -0.630 4.353) 6.527 20.619 ( -1.051 1.355 0.656) 1.836 20.652 ( 2.931 -0.492 -4.001) 4.984 20.756 ( -5.068 -0.983 -0.985) 5.256 ======================= Grid point 234 (81/90) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 13.011 6.194) 14.410 1.563 ( 0.000 16.012 -8.806) 18.274 1.714 ( 0.000 3.683 6.264) 7.267 1.846 ( 0.000 2.449 -6.232) 6.696 2.080 ( 0.000 -2.350 2.086) 3.143 2.105 ( 0.000 -0.245 -0.768) 0.806 2.590 ( 0.000 -1.666 13.493) 13.595 2.747 ( 0.000 11.606 -2.972) 11.980 2.821 ( 0.000 5.807 3.109) 6.587 2.948 ( 0.000 6.797 -7.844) 10.380 3.163 ( 0.000 6.169 3.401) 7.044 3.315 ( 0.000 -1.871 -12.020) 12.164 3.495 ( 0.000 0.448 2.998) 3.031 3.531 ( 0.000 -8.533 -0.021) 8.533 3.600 ( 0.000 -0.210 5.781) 5.784 3.736 ( 0.000 -6.411 -6.228) 8.938 4.617 ( 0.000 4.536 2.279) 5.076 4.678 ( 0.000 1.905 -3.665) 4.131 5.281 ( 0.000 4.849 2.441) 5.429 5.288 ( 0.000 12.076 2.297) 12.293 5.612 ( 0.000 2.160 5.067) 5.508 5.655 ( 0.000 3.842 1.470) 4.114 5.911 ( 0.000 0.019 7.818) 7.818 6.063 ( 0.000 2.681 -6.252) 6.803 6.598 ( 0.000 9.300 -3.303) 9.869 6.606 ( 0.000 4.890 -2.827) 5.648 6.695 ( 0.000 0.497 6.648) 6.667 6.919 ( 0.000 -5.485 -13.667) 14.726 7.282 ( 0.000 1.477 0.083) 1.479 7.286 ( 0.000 2.679 -0.630) 2.753 7.473 ( 0.000 -7.250 5.500) 9.100 7.577 ( 0.000 -7.476 -4.457) 8.703 8.288 ( 0.000 -1.271 13.665) 13.724 8.490 ( 0.000 2.753 -3.957) 4.820 8.842 ( 0.000 -13.591 -1.288) 13.652 8.869 ( 0.000 -3.004 -1.771) 3.487 10.160 ( 0.000 -12.074 18.208) 21.847 10.557 ( 0.000 -5.017 -19.744) 20.372 11.039 ( 0.000 6.620 1.643) 6.821 11.085 ( 0.000 7.111 -3.241) 7.815 11.821 ( 0.000 -2.140 24.315) 24.409 12.402 ( 0.000 -1.675 -31.049) 31.094 12.809 ( 0.000 4.417 8.620) 9.686 12.960 ( 0.000 5.989 -5.724) 8.285 13.220 ( 0.000 -1.652 2.214) 2.763 13.272 ( 0.000 -2.270 -3.174) 3.902 15.496 ( 0.000 -5.525 18.381) 19.193 15.814 ( 0.000 -4.378 -12.945) 13.665 17.273 ( 0.000 -1.420 8.303) 8.424 17.443 ( 0.000 0.224 -7.931) 7.934 18.250 ( 0.000 0.939 1.117) 1.459 18.261 ( 0.000 1.593 0.313) 1.623 18.490 ( 0.000 -5.486 2.143) 5.889 18.555 ( 0.000 -4.648 -3.742) 5.967 19.833 ( 0.000 -2.241 2.640) 3.463 19.873 ( 0.000 -2.412 -1.253) 2.718 20.175 ( 0.000 8.693 13.369) 15.946 20.467 ( 0.000 6.111 -14.510) 15.744 20.802 ( 0.000 -0.754 0.257) 0.797 20.810 ( 0.000 -2.093 -0.490) 2.150 ======================= Grid point 235 (82/90) ======================= q-point: ( 0.11 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 2.103 11.411 -0.934) 11.641 1.647 ( 4.915 9.274 -2.716) 10.842 1.668 ( -0.575 6.636 1.621) 6.856 1.893 ( 2.881 3.770 -2.372) 5.305 2.075 ( -2.018 -0.745 1.182) 2.454 2.116 ( 2.394 0.078 0.209) 2.404 2.490 ( -6.132 0.036 7.993) 10.075 2.690 ( -7.834 -0.260 -0.614) 7.863 2.871 ( 3.763 11.199 0.105) 11.815 2.970 ( -1.024 9.863 -3.998) 10.691 3.213 ( 6.085 5.161 4.152) 8.994 3.360 ( -3.482 -3.961 0.543) 5.301 3.396 ( 3.130 2.493 -7.319) 8.341 3.561 ( -0.840 1.540 -0.182) 1.764 3.666 ( 6.008 -6.490 3.915) 9.671 3.764 ( 3.476 -8.156 -4.686) 10.028 4.534 ( -6.119 -1.465 2.466) 6.758 4.654 ( -3.022 -3.361 -3.733) 5.862 5.243 ( -4.598 13.692 2.318) 14.628 5.347 ( 4.194 5.923 2.788) 7.775 5.424 ( -13.088 4.205 4.798) 14.560 5.491 ( -9.231 3.607 -0.355) 9.917 6.062 ( 3.878 2.743 6.336) 7.919 6.187 ( 8.940 -1.513 -4.251) 10.014 6.446 ( -4.604 4.225 -1.803) 6.503 6.556 ( -9.154 -5.375 1.266) 10.691 6.745 ( 4.573 8.548 -2.499) 10.011 7.031 ( 4.079 -6.852 -7.418) 10.891 7.267 ( 0.733 4.203 0.226) 4.272 7.295 ( 0.523 2.341 0.068) 2.399 7.441 ( -2.320 -4.789 2.120) 5.728 7.524 ( -3.434 -7.218 -2.782) 8.464 8.306 ( 1.047 1.104 11.320) 11.421 8.490 ( 0.035 4.609 -0.916) 4.699 8.758 ( -6.075 -5.985 -1.592) 8.676 8.923 ( 3.754 -7.963 -3.362) 9.424 10.180 ( 2.675 -5.416 12.037) 13.468 10.647 ( 3.493 -9.022 -14.363) 17.317 11.037 ( -1.851 5.209 -0.047) 5.528 11.133 ( 8.684 -0.065 -0.569) 8.703 11.849 ( 3.924 0.870 21.360) 21.735 12.431 ( -1.190 -3.844 -23.473) 23.815 12.712 ( -2.283 5.414 7.397) 9.447 12.944 ( -2.808 2.596 -6.150) 7.242 13.241 ( 1.160 0.996 -3.089) 3.447 13.310 ( 3.264 -2.722 -0.359) 4.265 15.391 ( -9.534 -3.431 12.778) 16.308 15.706 ( -9.700 -7.072 -7.528) 14.169 17.274 ( 0.146 0.007 6.038) 6.040 17.470 ( 1.593 -1.971 -6.436) 6.917 18.176 ( -6.668 3.308 2.827) 7.962 18.251 ( 0.367 4.500 -0.372) 4.531 18.447 ( -4.225 -4.974 0.658) 6.560 18.642 ( 7.839 -9.014 -2.200) 12.147 19.812 ( -4.473 1.318 5.158) 6.953 19.910 ( 2.307 -2.032 -2.287) 3.832 20.138 ( -0.287 9.904 2.811) 10.300 20.453 ( -1.259 -1.540 -4.678) 5.083 20.775 ( -0.067 1.424 -0.478) 1.504 20.862 ( 1.861 -1.671 -0.868) 2.647 ======================= Grid point 236 (83/90) ======================= q-point: ( 0.22 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 5.333 8.348 -2.882) 10.317 1.666 ( 2.543 2.842 -2.155) 4.381 1.790 ( 6.205 5.957 0.640) 8.626 1.927 ( -0.477 7.991 -0.858) 8.051 2.001 ( -3.961 -2.113 1.474) 4.725 2.181 ( 2.875 0.141 0.845) 3.000 2.372 ( -5.428 0.515 3.802) 6.647 2.545 ( -5.667 -4.167 0.025) 7.034 2.866 ( -3.403 12.317 -2.006) 12.935 2.896 ( -3.047 9.496 -3.649) 10.620 3.273 ( 0.714 -1.647 2.588) 3.150 3.384 ( 1.826 2.025 0.792) 2.839 3.421 ( 0.478 -0.964 -2.640) 2.851 3.618 ( 3.913 4.805 0.525) 6.219 3.813 ( 7.160 -9.791 3.406) 12.598 3.876 ( 8.143 -5.730 -0.462) 9.967 4.404 ( -6.678 -5.196 -1.111) 8.534 4.612 ( 1.561 -11.442 -5.108) 12.627 5.102 ( -7.994 13.755 3.439) 16.277 5.191 ( -9.578 5.100 4.635) 11.800 5.288 ( -7.503 1.616 -0.809) 7.718 5.414 ( -1.311 1.412 -0.229) 1.940 5.958 ( -11.956 -3.234 6.545) 14.009 6.292 ( 0.055 6.540 0.041) 6.540 6.339 ( -9.382 -10.980 -0.857) 14.468 6.492 ( 4.242 -1.859 -2.517) 5.271 6.773 ( -2.118 4.983 -0.972) 5.501 6.990 ( -5.468 -3.794 -5.208) 8.451 7.220 ( -2.707 5.650 2.389) 6.705 7.403 ( 2.726 1.530 -1.797) 3.606 7.443 ( 5.882 0.545 -0.040) 5.908 7.507 ( 1.872 -5.137 -1.379) 5.639 8.306 ( -0.849 2.386 8.714) 9.075 8.496 ( 0.325 6.408 4.418) 7.790 8.625 ( -5.669 -0.325 -5.161) 7.673 9.017 ( 4.615 -7.180 -4.181) 9.504 10.252 ( 3.407 0.914 3.168) 4.741 10.648 ( -0.796 -10.836 -3.928) 11.554 10.990 ( -2.407 6.072 -0.626) 6.561 11.301 ( 2.379 -8.871 1.861) 9.371 12.057 ( 14.582 -4.180 12.820) 19.861 12.337 ( -2.632 0.508 -12.758) 13.037 12.749 ( 4.021 1.050 9.734) 10.584 12.900 ( -2.130 4.551 -2.838) 5.771 13.331 ( 2.944 -0.323 -3.383) 4.496 13.351 ( 7.582 -4.554 -10.331) 13.600 15.140 ( -14.300 -0.391 4.541) 15.009 15.451 ( -14.691 -10.662 0.073) 18.152 17.281 ( 0.714 1.944 1.907) 2.815 17.483 ( 0.073 -5.314 -3.066) 6.135 18.001 ( -10.000 5.174 3.817) 11.888 18.294 ( -3.421 -5.648 -1.845) 6.856 18.343 ( 1.571 9.167 1.656) 9.447 18.847 ( 11.541 -12.341 -1.593) 16.971 19.616 ( -13.012 10.353 2.503) 16.815 19.897 ( -4.301 -2.747 -3.011) 5.926 20.227 ( 7.533 3.507 1.683) 8.477 20.455 ( 2.202 -5.249 -0.521) 5.716 20.774 ( -0.747 2.696 -0.899) 2.939 20.869 ( -1.175 -1.558 -0.289) 1.973 ======================= Grid point 237 (84/90) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 3.919 4.725 4.167) 7.419 1.732 ( 3.274 4.404 -6.632) 8.609 1.855 ( -2.893 5.627 2.402) 6.768 1.892 ( 1.231 7.063 -1.184) 7.267 1.970 ( 0.083 -4.075 2.024) 4.551 2.186 ( -1.894 -4.092 0.893) 4.597 2.281 ( -3.350 2.701 0.944) 4.406 2.413 ( -8.332 -1.942 -0.457) 8.568 2.836 ( 4.092 7.549 2.192) 8.862 2.959 ( 9.018 4.024 -8.408) 12.970 3.331 ( 4.089 -2.367 0.560) 4.758 3.365 ( -1.713 -1.643 0.514) 2.429 3.424 ( -0.299 -2.299 -2.341) 3.295 3.607 ( -4.484 2.443 3.490) 6.185 3.867 ( -2.644 -13.014 1.128) 13.328 4.040 ( -1.579 -9.632 -0.203) 9.763 4.323 ( 6.128 7.167 0.188) 9.432 4.744 ( 8.750 -9.787 -3.824) 13.674 4.955 ( -5.870 12.968 1.992) 14.374 5.029 ( -5.622 3.774 3.440) 7.595 5.190 ( -1.644 -5.884 0.478) 6.128 5.336 ( -4.025 -5.021 -1.278) 6.560 5.668 ( -15.365 -5.721 3.802) 16.830 6.043 ( -15.541 -11.274 -0.397) 19.204 6.315 ( -0.633 -1.294 10.176) 10.277 6.555 ( 2.099 1.359 -8.610) 8.966 6.672 ( -6.894 -1.149 0.343) 6.997 6.861 ( -6.852 -1.590 -8.904) 11.347 7.230 ( 3.669 12.301 2.650) 13.107 7.440 ( 2.079 2.202 2.137) 3.706 7.529 ( 0.788 2.056 -3.607) 4.226 7.565 ( 2.212 -0.831 -0.769) 2.485 8.290 ( -0.277 -0.032 13.250) 13.253 8.483 ( -2.240 9.224 8.732) 12.898 8.588 ( 3.383 0.849 -13.370) 13.817 9.059 ( -1.662 -7.777 -3.770) 8.801 10.323 ( 4.768 3.845 -2.094) 6.473 10.689 ( 5.166 -13.390 1.346) 14.415 10.909 ( -6.495 7.201 -0.618) 9.717 11.234 ( -7.121 -7.083 4.369) 10.953 12.202 ( 3.753 1.041 -4.320) 5.817 12.447 ( 8.203 -8.456 -1.567) 11.885 12.761 ( -8.036 5.643 0.895) 9.860 12.991 ( 8.380 -5.132 6.789) 11.944 13.335 ( 9.559 4.222 2.346) 10.710 13.720 ( 22.664 -8.302 -12.553) 27.206 14.812 ( -17.961 0.703 1.025) 18.004 15.111 ( -18.547 -11.528 2.608) 21.993 17.312 ( 2.649 3.315 -0.385) 4.261 17.511 ( 3.418 -7.028 -0.658) 7.843 17.781 ( -11.031 5.195 3.646) 12.727 18.097 ( -11.552 -8.623 -1.984) 14.552 18.517 ( 11.007 14.154 1.121) 17.966 19.093 ( 12.016 -13.242 -1.037) 17.911 19.329 ( -14.404 14.150 0.033) 20.192 19.753 ( -8.919 -7.214 -0.625) 11.489 20.392 ( 7.867 0.042 4.462) 9.044 20.533 ( 4.721 -2.212 -3.462) 6.259 20.734 ( -3.166 2.354 -0.545) 3.983 20.820 ( -3.391 -1.557 -0.054) 3.732 ======================= Grid point 238 (85/90) ======================= q-point: ( 0.44 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 3.775 3.485 7.229) 8.869 1.757 ( -5.585 4.866 6.594) 9.917 1.802 ( 3.678 3.572 -4.960) 7.134 1.881 ( -2.977 5.028 -3.295) 6.708 2.022 ( 5.575 -0.815 1.117) 5.744 2.147 ( -3.648 -1.409 3.214) 5.062 2.219 ( -2.346 -2.156 -3.169) 4.494 2.244 ( -5.198 -2.757 -4.290) 7.282 3.029 ( 12.469 4.373 4.588) 13.987 3.214 ( 13.184 1.221 -5.493) 14.335 3.255 ( -8.246 5.505 2.414) 10.205 3.399 ( -2.313 -3.705 0.684) 4.421 3.512 ( 9.780 -8.885 -3.916) 13.781 3.525 ( 1.536 -5.878 0.283) 6.082 3.697 ( -11.645 -13.592 1.465) 17.958 3.806 ( -15.963 -9.596 -8.909) 20.646 4.613 ( 15.670 14.049 5.387) 21.724 4.821 ( -3.271 11.588 5.409) 13.200 4.893 ( 0.499 4.453 0.161) 4.484 4.944 ( -3.660 2.332 2.733) 5.128 5.207 ( 2.478 -8.355 -2.187) 8.985 5.346 ( -7.575 -11.157 3.021) 13.820 5.406 ( 5.938 -13.715 -2.607) 15.171 5.705 ( -16.852 -14.757 -0.747) 22.413 6.344 ( 4.526 -4.030 11.701) 13.177 6.488 ( -8.296 -3.166 7.756) 11.790 6.628 ( 3.286 -1.982 -14.661) 15.155 6.725 ( -5.989 -1.610 -13.439) 14.801 7.341 ( 6.261 12.534 3.176) 14.367 7.448 ( -2.983 6.607 3.340) 7.981 7.530 ( 1.105 4.274 -3.031) 5.354 7.565 ( -1.525 2.591 -2.048) 3.637 8.318 ( 3.218 3.620 11.380) 12.368 8.406 ( -4.671 7.817 9.583) 13.220 8.740 ( 9.878 -4.426 -9.714) 14.544 8.943 ( -8.836 -7.714 -5.365) 12.898 10.482 ( 10.480 4.813 -1.100) 11.585 10.717 ( -11.239 5.988 0.042) 12.735 10.846 ( 9.280 -11.429 0.915) 14.751 11.052 ( -10.050 -8.235 2.173) 13.173 12.340 ( 9.450 4.273 -2.993) 10.794 12.556 ( -10.786 5.642 -0.424) 12.179 12.639 ( 11.006 -6.490 -1.054) 12.821 12.885 ( -11.666 -6.697 -0.532) 13.462 13.830 ( 29.235 1.328 5.625) 29.801 14.211 ( 24.262 -9.804 -6.175) 26.887 14.385 ( -23.959 0.388 2.027) 24.048 14.692 ( -22.146 -10.746 -0.043) 24.616 17.400 ( 6.121 3.955 0.903) 7.344 17.562 ( -9.032 4.391 3.079) 10.504 17.640 ( 8.095 -7.659 -1.768) 11.284 17.852 ( -11.748 -8.397 -2.314) 14.625 18.764 ( 12.828 15.006 0.730) 19.755 19.038 ( -13.833 15.139 0.059) 20.507 19.332 ( 11.243 -12.604 -0.374) 16.894 19.553 ( -10.365 -10.641 0.058) 14.855 20.538 ( 6.246 -0.563 4.805) 7.900 20.633 ( 4.058 -0.079 -3.449) 5.326 20.652 ( -3.769 0.604 0.935) 3.930 20.736 ( -4.643 -0.932 -2.123) 5.189 ======================= Grid point 243 (86/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 -0.000 9.422) 9.422 1.726 ( 0.000 0.000 6.257) 6.257 1.769 ( 0.000 -0.000 -8.643) 8.643 1.829 ( 0.000 0.000 -3.355) 3.355 2.053 ( 0.000 0.000 3.448) 3.448 2.103 ( 0.000 0.000 -1.996) 1.996 2.537 ( 0.000 0.000 18.000) 18.000 2.893 ( 0.000 0.000 1.842) 1.842 2.920 ( 0.000 0.000 -18.748) 18.748 2.964 ( 0.000 -0.000 -5.044) 5.044 3.258 ( 0.000 0.000 -0.458) 0.458 3.283 ( 0.000 -0.000 -2.833) 2.833 3.369 ( 0.000 0.000 9.610) 9.610 3.547 ( 0.000 -0.000 -7.440) 7.440 3.614 ( 0.000 0.000 2.076) 2.076 3.639 ( 0.000 0.000 -0.246) 0.246 4.660 ( 0.000 0.000 -0.827) 0.827 4.696 ( 0.000 0.000 -3.659) 3.659 5.327 ( 0.000 0.000 6.182) 6.182 5.418 ( 0.000 0.000 -2.288) 2.288 5.645 ( 0.000 0.000 3.736) 3.736 5.721 ( 0.000 0.000 -3.243) 3.243 5.902 ( 0.000 0.000 15.861) 15.861 6.052 ( 0.000 0.000 2.796) 2.796 6.641 ( 0.000 -0.000 1.033) 1.033 6.742 ( 0.000 0.000 -2.646) 2.646 6.749 ( 0.000 0.000 -3.287) 3.287 6.817 ( 0.000 -0.000 -14.313) 14.313 7.304 ( 0.000 0.000 0.925) 0.925 7.319 ( 0.000 0.000 -0.922) 0.922 7.396 ( 0.000 0.000 4.825) 4.825 7.493 ( 0.000 0.000 -4.441) 4.441 8.270 ( 0.000 0.000 12.581) 12.581 8.516 ( 0.000 0.000 -11.393) 11.393 8.698 ( 0.000 0.000 9.915) 9.915 8.841 ( 0.000 0.000 -4.200) 4.200 10.036 ( 0.000 0.000 20.463) 20.463 10.501 ( 0.000 0.000 -24.153) 24.153 11.109 ( 0.000 0.000 2.110) 2.110 11.161 ( 0.000 0.000 -3.320) 3.320 11.796 ( 0.000 0.000 24.142) 24.142 12.378 ( 0.000 0.000 -31.618) 31.618 12.861 ( 0.000 0.000 10.760) 10.760 13.026 ( 0.000 0.000 -5.629) 5.629 13.199 ( 0.000 -0.000 1.747) 1.747 13.246 ( 0.000 0.000 -3.263) 3.263 15.439 ( 0.000 0.000 18.776) 18.776 15.768 ( 0.000 0.000 -13.504) 13.504 17.259 ( 0.000 0.000 8.774) 8.774 17.447 ( 0.000 0.000 -9.138) 9.138 18.260 ( 0.000 0.000 1.701) 1.701 18.276 ( 0.000 0.000 0.421) 0.421 18.436 ( 0.000 0.000 2.687) 2.687 18.509 ( 0.000 0.000 -3.998) 3.998 19.809 ( 0.000 0.000 2.289) 2.289 19.847 ( 0.000 0.000 -1.349) 1.349 20.264 ( 0.000 0.000 12.275) 12.275 20.530 ( 0.000 0.000 -13.095) 13.095 20.786 ( 0.000 0.000 0.179) 0.179 20.791 ( 0.000 0.000 -0.321) 0.321 ======================= Grid point 245 (87/90) ======================= q-point: ( 0.11 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 1.531 -0.000 3.380) 3.711 1.639 ( -3.935 0.000 -1.463) 4.198 1.848 ( 3.514 0.000 0.481) 3.547 1.874 ( 2.663 -0.000 -0.884) 2.806 2.091 ( 2.927 0.000 2.443) 3.812 2.112 ( 0.960 -0.000 -0.125) 0.968 2.471 ( -4.697 0.000 11.884) 12.779 2.672 ( -11.871 0.000 -7.153) 13.859 2.989 ( 1.133 0.000 -1.383) 1.788 3.057 ( 3.071 -0.000 -7.776) 8.360 3.308 ( -0.584 0.000 5.307) 5.339 3.381 ( 8.289 -0.000 -2.879) 8.774 3.394 ( 6.539 0.000 2.728) 7.085 3.480 ( -4.234 0.000 -3.693) 5.619 3.645 ( 1.904 -0.000 0.453) 1.957 3.649 ( 2.586 0.000 -0.758) 2.695 4.534 ( -9.034 0.000 0.809) 9.070 4.605 ( -7.806 0.000 -5.080) 9.314 5.398 ( 3.809 0.000 2.391) 4.497 5.406 ( -2.401 -0.000 1.183) 2.676 5.479 ( -13.246 0.000 5.740) 14.436 5.531 ( -9.528 0.000 0.582) 9.546 6.057 ( -2.175 0.000 11.074) 11.285 6.169 ( 15.277 0.000 1.530) 15.354 6.493 ( -7.336 0.000 -2.241) 7.671 6.534 ( -12.998 0.000 -7.579) 15.046 6.834 ( 2.713 0.000 1.523) 3.111 6.950 ( 4.392 0.000 -9.765) 10.707 7.301 ( -0.734 0.000 4.212) 4.275 7.347 ( 3.415 0.000 -1.063) 3.577 7.383 ( 0.705 0.000 0.809) 1.073 7.440 ( -3.901 0.000 -4.281) 5.792 8.314 ( 3.014 0.000 12.469) 12.828 8.557 ( 2.286 0.000 -11.378) 11.605 8.664 ( -2.618 0.000 11.400) 11.696 8.851 ( 1.810 -0.000 -6.737) 6.976 10.126 ( 7.504 0.000 18.361) 19.835 10.550 ( 2.276 0.000 -22.562) 22.676 11.097 ( -0.499 0.000 1.699) 1.771 11.133 ( -0.735 0.000 -1.930) 2.065 11.856 ( 5.436 0.000 23.466) 24.087 12.391 ( 0.130 0.000 -27.419) 27.420 12.775 ( -5.222 0.000 10.405) 11.642 12.963 ( -3.211 0.000 -8.176) 8.784 13.261 ( 3.613 0.000 0.190) 3.618 13.275 ( 1.510 -0.000 -2.019) 2.521 15.361 ( -7.129 0.000 15.727) 17.267 15.629 ( -12.468 0.000 -10.561) 16.340 17.275 ( 1.281 0.000 7.933) 8.035 17.451 ( -0.316 0.000 -9.059) 9.065 18.220 ( -4.318 0.000 4.468) 6.213 18.290 ( -0.293 0.000 -2.138) 2.158 18.420 ( 0.300 0.000 4.698) 4.708 18.527 ( 2.881 0.000 -5.230) 5.971 19.819 ( -0.695 0.000 4.126) 4.184 19.886 ( 2.537 0.000 -2.351) 3.459 20.269 ( 1.701 0.000 6.260) 6.487 20.408 ( -8.726 0.000 -6.684) 10.992 20.807 ( 1.167 0.000 0.313) 1.209 20.829 ( 2.141 0.000 -2.056) 2.968 ======================= Grid point 247 (88/90) ======================= q-point: ( 0.22 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.657 -0.000 1.238) 1.401 1.663 ( 6.876 0.000 -4.850) 8.414 1.895 ( 1.314 0.000 1.528) 2.015 1.897 ( -0.424 -0.000 1.595) 1.651 2.118 ( -0.711 -0.000 1.606) 1.756 2.120 ( -1.563 0.000 1.687) 2.299 2.411 ( -1.123 -0.000 2.821) 3.036 2.452 ( -8.221 0.000 -2.264) 8.527 2.980 ( -1.478 0.000 -1.924) 2.426 3.024 ( -5.659 -0.000 -4.940) 7.512 3.259 ( -1.606 0.000 4.742) 5.007 3.367 ( -3.336 0.000 -5.210) 6.186 3.527 ( 3.552 -0.000 2.690) 4.456 3.578 ( 3.953 0.000 -1.870) 4.373 3.739 ( 4.709 0.000 4.806) 6.728 3.758 ( 10.382 0.000 1.925) 10.559 4.425 ( 1.298 -0.000 -4.816) 4.988 4.438 ( -6.889 0.000 -5.165) 8.610 5.251 ( -8.510 -0.000 4.905) 9.823 5.276 ( -9.946 0.000 3.823) 10.655 5.316 ( -10.503 0.000 3.614) 11.107 5.402 ( -3.793 -0.000 -3.552) 5.196 5.899 ( -12.217 0.000 15.732) 19.919 6.217 ( -14.977 0.000 -13.712) 20.306 6.400 ( -3.129 0.000 2.822) 4.213 6.454 ( 8.642 -0.000 -2.603) 9.025 6.808 ( -4.873 0.000 4.421) 6.580 6.956 ( -3.214 0.000 -9.763) 10.278 7.307 ( 2.409 0.000 5.380) 5.894 7.390 ( 0.544 0.000 -0.845) 1.005 7.440 ( 3.614 0.000 0.541) 3.654 7.468 ( 6.767 0.000 -4.741) 8.263 8.327 ( -2.229 0.000 10.878) 11.104 8.565 ( -0.719 0.000 -12.407) 12.427 8.638 ( 0.507 0.000 16.497) 16.505 8.923 ( 3.728 -0.000 -10.801) 11.426 10.284 ( 7.309 0.000 10.234) 12.576 10.519 ( -4.197 0.000 -12.146) 12.851 11.110 ( 1.320 0.000 1.896) 2.310 11.151 ( -0.128 0.000 -1.824) 1.828 12.017 ( 10.307 0.000 14.778) 18.017 12.345 ( -3.749 0.000 -15.877) 16.313 12.757 ( 5.025 0.000 11.438) 12.493 12.955 ( 0.327 0.000 -5.669) 5.679 13.297 ( 0.208 0.000 -1.966) 1.977 13.330 ( 6.597 0.000 -8.007) 10.375 15.169 ( -11.300 0.000 9.424) 14.714 15.311 ( -17.625 0.000 -4.698) 18.240 17.309 ( 2.248 0.000 4.776) 5.279 17.423 ( -1.886 0.000 -6.430) 6.701 18.076 ( -9.380 0.000 6.954) 11.676 18.193 ( -8.288 -0.000 -4.468) 9.416 18.526 ( 9.057 0.000 6.155) 10.950 18.654 ( 9.133 -0.000 -6.090) 10.977 19.733 ( -7.363 0.000 5.245) 9.040 19.850 ( -8.079 0.000 -6.095) 10.120 20.304 ( 0.792 0.000 3.576) 3.663 20.362 ( 6.677 0.000 -2.099) 7.000 20.820 ( -0.277 0.000 0.151) 0.316 20.835 ( -1.637 0.000 -1.394) 2.150 ======================= Grid point 249 (89/90) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 2.183 0.000 5.862) 6.256 1.783 ( 3.013 0.000 -6.821) 7.457 1.902 ( 2.373 0.000 1.883) 3.029 1.917 ( 0.178 -0.000 1.751) 1.760 2.029 ( -4.786 -0.000 2.632) 5.462 2.094 ( -1.004 0.000 -3.204) 3.357 2.338 ( -5.293 -0.000 2.038) 5.672 2.347 ( -6.419 0.000 1.333) 6.556 2.936 ( 0.721 -0.000 -0.000) 0.721 3.012 ( 6.783 -0.000 -7.855) 10.378 3.259 ( 1.355 0.000 3.211) 3.485 3.343 ( 0.889 0.000 -4.487) 4.574 3.526 ( -3.138 -0.000 1.642) 3.541 3.548 ( -4.932 0.000 -1.016) 5.035 3.723 ( -6.712 0.000 10.495) 12.458 3.932 ( -0.512 0.000 -7.895) 7.912 4.421 ( 8.957 0.000 6.430) 11.026 4.627 ( 16.571 0.000 -11.932) 20.420 5.073 ( -8.271 -0.000 6.921) 10.785 5.117 ( -7.941 -0.000 7.904) 11.204 5.134 ( -2.959 0.000 -0.628) 3.025 5.283 ( -6.323 0.000 -6.852) 9.324 5.605 ( -16.129 0.000 14.200) 21.489 5.874 ( -18.062 0.000 -11.662) 21.500 6.324 ( -3.639 0.000 10.731) 11.331 6.567 ( 2.768 0.000 -12.024) 12.339 6.656 ( -9.425 0.000 6.968) 11.721 6.848 ( -6.701 0.000 -11.903) 13.659 7.391 ( 4.943 -0.000 4.831) 6.911 7.454 ( 4.770 0.000 0.216) 4.775 7.500 ( 2.030 -0.000 3.014) 3.634 7.579 ( 3.228 0.000 -5.754) 6.598 8.288 ( 0.334 0.000 13.123) 13.127 8.579 ( 2.760 0.000 -14.686) 14.943 8.632 ( -2.553 0.000 18.192) 18.370 8.940 ( -2.640 0.000 -11.503) 11.802 10.448 ( 9.453 -0.000 -0.020) 9.453 10.470 ( 1.165 0.000 -2.265) 2.547 11.053 ( -9.065 0.000 3.455) 9.701 11.092 ( -4.336 -0.000 -0.612) 4.379 12.250 ( 11.841 -0.000 0.121) 11.842 12.317 ( 2.359 0.000 -5.786) 6.248 12.874 ( -8.005 -0.000 3.384) 8.691 12.893 ( 1.465 0.000 2.950) 3.293 13.392 ( 14.722 -0.000 6.572) 16.122 13.621 ( 20.469 0.000 -14.534) 25.104 14.899 ( -15.194 -0.000 2.991) 15.486 14.917 ( -21.006 0.000 0.990) 21.029 17.382 ( 5.182 -0.000 0.510) 5.207 17.405 ( 0.798 0.000 -1.915) 2.075 17.858 ( -11.355 0.000 7.043) 13.362 17.985 ( -11.475 -0.000 -5.285) 12.634 18.751 ( 12.311 0.000 5.848) 13.630 18.870 ( 11.298 -0.000 -5.561) 12.592 19.548 ( -10.126 0.000 2.201) 10.362 19.601 ( -14.238 -0.000 -3.035) 14.558 20.396 ( 6.376 0.000 5.822) 8.634 20.505 ( 6.766 0.000 -4.659) 8.215 20.770 ( -4.519 0.000 0.765) 4.583 20.792 ( -2.372 -0.000 -1.380) 2.744 ======================= Grid point 251 (90/90) ======================= q-point: ( 0.44 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 4.233 0.000 7.917) 8.977 1.821 ( -7.013 0.000 7.694) 10.410 1.837 ( 3.784 0.000 -3.207) 4.960 1.920 ( -2.531 0.000 -1.373) 2.880 2.056 ( 5.270 -0.000 0.413) 5.287 2.102 ( 2.317 0.000 -5.199) 5.692 2.193 ( -6.713 0.000 -0.696) 6.749 2.193 ( -7.770 -0.000 0.618) 7.794 3.102 ( 13.706 -0.000 5.556) 14.790 3.244 ( 12.749 -0.000 -7.299) 14.691 3.297 ( 0.558 0.000 4.220) 4.257 3.410 ( 2.511 -0.000 -7.400) 7.815 3.433 ( -1.001 -0.000 -0.270) 1.037 3.439 ( -4.322 0.000 0.243) 4.328 3.494 ( -12.790 0.000 7.652) 14.905 3.713 ( -16.664 0.000 -12.864) 21.052 4.761 ( 19.771 0.000 12.419) 23.348 4.971 ( -2.399 -0.000 9.143) 9.453 5.007 ( -2.022 0.000 10.375) 10.570 5.013 ( 18.220 -0.000 -11.609) 21.604 5.121 ( 1.213 -0.000 -5.916) 6.039 5.189 ( -1.194 0.000 -7.350) 7.446 5.235 ( -19.560 -0.000 12.638) 23.287 5.479 ( -20.203 0.000 -11.132) 23.067 6.310 ( 3.285 0.000 13.213) 13.615 6.452 ( -9.548 0.000 10.391) 14.111 6.614 ( 2.919 0.000 -15.818) 16.085 6.709 ( -6.208 0.000 -14.648) 15.909 7.480 ( 3.280 0.000 4.274) 5.388 7.518 ( -0.411 0.000 3.790) 3.812 7.547 ( 3.760 0.000 -1.279) 3.972 7.598 ( -1.036 -0.000 -3.966) 4.099 8.366 ( 6.673 0.000 15.819) 17.169 8.522 ( -7.497 0.000 17.216) 18.777 8.680 ( 6.702 -0.000 -14.220) 15.720 8.830 ( -7.232 0.000 -12.416) 14.368 10.585 ( 9.499 -0.000 3.588) 10.154 10.677 ( 12.414 0.000 -5.096) 13.419 10.821 ( -12.466 0.000 5.488) 13.620 10.927 ( -11.054 -0.000 -4.585) 11.967 12.446 ( 9.507 -0.000 0.916) 9.551 12.504 ( 12.941 0.000 -4.735) 13.780 12.668 ( -11.224 -0.000 3.970) 11.906 12.761 ( -11.237 0.000 -4.963) 12.284 13.878 ( 28.068 -0.000 10.240) 29.878 14.087 ( 23.428 0.000 -9.982) 25.466 14.439 ( -25.694 0.000 6.055) 26.398 14.539 ( -20.017 0.000 -3.415) 20.306 17.471 ( 5.715 -0.000 2.348) 6.179 17.528 ( 9.024 0.000 -3.030) 9.519 17.634 ( -9.895 0.000 5.458) 11.301 17.743 ( -11.619 -0.000 -5.007) 12.652 19.018 ( 13.586 0.000 4.280) 14.244 19.103 ( 11.302 -0.000 -3.914) 11.960 19.305 ( -14.375 0.000 1.243) 14.428 19.331 ( -10.902 -0.000 -1.255) 10.974 20.532 ( 6.555 0.000 4.883) 8.174 20.630 ( 5.368 0.000 -4.508) 7.010 20.661 ( -5.929 0.000 3.047) 6.666 20.726 ( -3.990 0.000 -3.199) 5.114 =================== 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 3/27000 10.0 274.257 341.181 138.340 0.000 0.000 0.000 3/27000 20.0 83.516 107.873 44.007 0.000 0.000 0.000 3/27000 30.0 39.877 51.273 20.065 0.000 0.000 0.000 3/27000 40.0 24.794 31.204 12.176 0.000 0.000 0.000 3/27000 50.0 17.797 21.810 8.577 0.000 0.000 0.000 3/27000 60.0 13.883 16.584 6.599 0.000 0.000 0.000 3/27000 70.0 11.412 13.328 5.375 0.000 0.000 0.000 3/27000 80.0 9.720 11.129 4.551 0.000 0.000 0.000 3/27000 90.0 8.492 9.554 3.962 0.000 0.000 0.000 3/27000 100.0 7.563 8.375 3.519 0.000 0.000 0.000 3/27000 110.0 6.836 7.459 3.174 0.000 0.000 0.000 3/27000 120.0 6.251 6.729 2.897 0.000 0.000 0.000 3/27000 130.0 5.770 6.134 2.669 0.000 0.000 0.000 3/27000 140.0 5.367 5.639 2.478 0.000 0.000 0.000 3/27000 150.0 5.024 5.221 2.315 0.000 0.000 0.000 3/27000 160.0 4.727 4.864 2.174 0.000 0.000 0.000 3/27000 170.0 4.468 4.554 2.051 0.000 0.000 0.000 3/27000 180.0 4.238 4.284 1.942 0.000 0.000 0.000 3/27000 190.0 4.033 4.045 1.845 0.000 0.000 0.000 3/27000 200.0 3.849 3.833 1.757 0.000 0.000 0.000 3/27000 210.0 3.682 3.644 1.678 0.000 0.000 0.000 3/27000 220.0 3.529 3.473 1.606 0.000 0.000 0.000 3/27000 230.0 3.390 3.318 1.540 0.000 0.000 0.000 3/27000 240.0 3.262 3.176 1.480 0.000 0.000 0.000 3/27000 250.0 3.143 3.047 1.424 0.000 0.000 0.000 3/27000 260.0 3.033 2.929 1.373 0.000 0.000 0.000 3/27000 270.0 2.931 2.819 1.325 0.000 0.000 0.000 3/27000 280.0 2.835 2.718 1.280 0.000 0.000 0.000 3/27000 290.0 2.746 2.624 1.238 0.000 0.000 0.000 3/27000 300.0 2.662 2.537 1.199 0.000 0.000 0.000 3/27000 310.0 2.583 2.455 1.163 0.000 0.000 0.000 3/27000 320.0 2.508 2.378 1.128 0.000 0.000 0.000 3/27000 330.0 2.438 2.307 1.096 0.000 0.000 0.000 3/27000 340.0 2.372 2.239 1.065 0.000 0.000 0.000 3/27000 350.0 2.309 2.176 1.036 0.000 0.000 0.000 3/27000 360.0 2.249 2.116 1.008 0.000 0.000 0.000 3/27000 370.0 2.193 2.059 0.982 0.000 0.000 0.000 3/27000 380.0 2.139 2.005 0.958 0.000 0.000 0.000 3/27000 390.0 2.087 1.954 0.934 0.000 0.000 0.000 3/27000 400.0 2.038 1.906 0.912 0.000 0.000 0.000 3/27000 410.0 1.992 1.860 0.890 0.000 0.000 0.000 3/27000 420.0 1.947 1.816 0.870 0.000 0.000 0.000 3/27000 430.0 1.904 1.774 0.850 0.000 0.000 0.000 3/27000 440.0 1.863 1.734 0.832 0.000 0.000 0.000 3/27000 450.0 1.824 1.696 0.814 0.000 0.000 0.000 3/27000 460.0 1.786 1.660 0.797 0.000 0.000 0.000 3/27000 470.0 1.750 1.625 0.780 0.000 0.000 0.000 3/27000 480.0 1.716 1.591 0.765 0.000 0.000 0.000 3/27000 490.0 1.682 1.559 0.750 0.000 0.000 0.000 3/27000 500.0 1.650 1.528 0.735 0.000 0.000 0.000 3/27000 510.0 1.619 1.499 0.721 0.000 0.000 0.000 3/27000 520.0 1.589 1.470 0.708 0.000 0.000 0.000 3/27000 530.0 1.561 1.443 0.695 0.000 0.000 0.000 3/27000 540.0 1.533 1.416 0.682 0.000 0.000 0.000 3/27000 550.0 1.506 1.391 0.670 0.000 0.000 0.000 3/27000 560.0 1.480 1.366 0.658 0.000 0.000 0.000 3/27000 570.0 1.455 1.342 0.647 0.000 0.000 0.000 3/27000 580.0 1.431 1.319 0.636 0.000 0.000 0.000 3/27000 590.0 1.408 1.297 0.626 0.000 0.000 0.000 3/27000 600.0 1.385 1.276 0.615 0.000 0.000 0.000 3/27000 610.0 1.363 1.255 0.606 0.000 0.000 0.000 3/27000 620.0 1.342 1.235 0.596 0.000 0.000 0.000 3/27000 630.0 1.321 1.216 0.587 0.000 0.000 0.000 3/27000 640.0 1.301 1.197 0.578 0.000 0.000 0.000 3/27000 650.0 1.282 1.178 0.569 0.000 0.000 0.000 3/27000 660.0 1.263 1.161 0.561 0.000 0.000 0.000 3/27000 670.0 1.244 1.144 0.552 0.000 0.000 0.000 3/27000 680.0 1.227 1.127 0.544 0.000 0.000 0.000 3/27000 690.0 1.209 1.111 0.537 0.000 0.000 0.000 3/27000 700.0 1.192 1.095 0.529 0.000 0.000 0.000 3/27000 710.0 1.176 1.080 0.522 0.000 0.000 0.000 3/27000 720.0 1.160 1.065 0.515 0.000 0.000 0.000 3/27000 730.0 1.145 1.050 0.508 0.000 0.000 0.000 3/27000 740.0 1.130 1.036 0.501 0.000 0.000 0.000 3/27000 750.0 1.115 1.022 0.494 0.000 0.000 0.000 3/27000 760.0 1.101 1.009 0.488 0.000 0.000 0.000 3/27000 770.0 1.087 0.996 0.482 0.000 0.000 0.000 3/27000 780.0 1.073 0.983 0.476 0.000 0.000 0.000 3/27000 790.0 1.060 0.971 0.470 0.000 0.000 0.000 3/27000 800.0 1.047 0.959 0.464 0.000 0.000 0.000 3/27000 810.0 1.034 0.947 0.458 0.000 0.000 0.000 3/27000 820.0 1.022 0.936 0.453 0.000 0.000 0.000 3/27000 830.0 1.010 0.925 0.447 0.000 0.000 0.000 3/27000 840.0 0.998 0.914 0.442 0.000 0.000 0.000 3/27000 850.0 0.986 0.903 0.437 0.000 0.000 0.000 3/27000 860.0 0.975 0.892 0.432 0.000 0.000 0.000 3/27000 870.0 0.964 0.882 0.427 0.000 0.000 0.000 3/27000 880.0 0.953 0.872 0.422 0.000 0.000 0.000 3/27000 890.0 0.943 0.863 0.418 0.000 0.000 0.000 3/27000 900.0 0.932 0.853 0.413 0.000 0.000 0.000 3/27000 910.0 0.922 0.844 0.408 0.000 0.000 0.000 3/27000 920.0 0.912 0.835 0.404 0.000 0.000 0.000 3/27000 930.0 0.903 0.826 0.400 0.000 0.000 0.000 3/27000 940.0 0.893 0.817 0.396 0.000 0.000 0.000 3/27000 950.0 0.884 0.808 0.391 0.000 0.000 0.000 3/27000 960.0 0.875 0.800 0.387 0.000 0.000 0.000 3/27000 970.0 0.866 0.792 0.383 0.000 0.000 0.000 3/27000 980.0 0.857 0.784 0.380 0.000 0.000 0.000 3/27000 990.0 0.849 0.776 0.376 0.000 0.000 0.000 3/27000 1000.0 0.841 0.768 0.372 0.000 0.000 0.000 3/27000 Thermal conductivity related properties were written into "kappa-m9105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:06:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|