----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:40:49]------------------------- 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: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.098530474999999 4.098530474999999 4.090012020000000 b 4.098530474999999 -4.098530474999999 4.090012020000000 c 4.098530474999999 4.098530474999999 -4.090012020000000 Atomic positions (fractional): *1 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 2 Yb 0.25000000000000 0.75000000000000 0.50000000000000 173.054 *3 Dy 0.87500000000000 0.25284706483560 0.87784706483560 162.500 4 Dy 0.74715293516440 0.62500000000000 0.62215293516440 162.500 5 Dy 0.37500000000000 0.99715293516440 0.12215293516440 162.500 6 Dy 0.00284706483560 0.12500000000000 0.37784706483560 162.500 *7 S 0.98062815290967 0.73022005192573 0.10171050351127 32.065 8 S 0.48022005192573 0.23062815290967 0.60171050351127 32.065 9 S 0.76937184709033 0.37108235060159 0.24959189901606 32.065 10 S 0.62891764939841 0.87850954841447 0.39828949648873 32.065 11 S 0.12108235060159 0.01937184709033 0.74959189901606 32.065 12 S 0.62850954841447 0.87891764939841 0.89828949648873 32.065 13 S 0.26977994807427 0.37149045158553 0.25040810098394 32.065 14 S 0.12149045158553 0.51977994807427 0.75040810098394 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.197060949999997 0.000000000000000 0.000000000000000 b 0.000000000000000 8.197060949999997 0.000000000000000 c 0.000000000000000 0.000000000000000 8.180024039999999 Atomic positions (fractional): *1 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 1 2 Yb 0.00000000000000 0.50000000000000 0.75000000000000 173.054 > 2 3 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 1 4 Yb 0.50000000000000 0.00000000000000 0.25000000000000 173.054 > 2 *5 Dy 0.12784706483560 0.75000000000000 0.12500000000000 162.500 > 3 6 Dy 0.25000000000000 0.37215293516440 0.37500000000000 162.500 > 4 7 Dy 0.37215293516440 0.75000000000000 0.62500000000000 162.500 > 5 8 Dy 0.25000000000000 0.12784706483560 0.87500000000000 162.500 > 6 9 Dy 0.62784706483560 0.25000000000000 0.62500000000000 162.500 > 3 10 Dy 0.75000000000000 0.87215293516440 0.87500000000000 162.500 > 4 11 Dy 0.87215293516440 0.25000000000000 0.12500000000000 162.500 > 5 12 Dy 0.75000000000000 0.62784706483560 0.37500000000000 162.500 > 6 *13 S 0.92565120126366 0.17605930224760 0.80456885066207 32.065 > 7 14 S 0.17605930224760 0.42565120126366 0.05456885066207 32.065 > 8 15 S 0.92565120126366 0.32394069775240 0.44543114933793 32.065 > 9 16 S 0.32394069775240 0.07434879873634 0.55456885066207 32.065 > 10 17 S 0.32394069775240 0.42565120126366 0.69543114933793 32.065 > 11 18 S 0.57434879873634 0.32394069775240 0.30456885066207 32.065 > 12 19 S 0.17605930224760 0.07434879873634 0.19543114933793 32.065 > 13 20 S 0.57434879873634 0.17605930224760 0.94543114933793 32.065 > 14 21 S 0.42565120126366 0.67605930224760 0.30456885066207 32.065 > 7 22 S 0.67605930224760 0.92565120126366 0.55456885066207 32.065 > 8 23 S 0.42565120126366 0.82394069775240 0.94543114933793 32.065 > 9 24 S 0.82394069775240 0.57434879873634 0.05456885066207 32.065 > 10 25 S 0.82394069775240 0.92565120126366 0.19543114933793 32.065 > 11 26 S 0.07434879873634 0.82394069775240 0.80456885066207 32.065 > 12 27 S 0.67605930224760 0.57434879873634 0.69543114933793 32.065 > 13 28 S 0.07434879873634 0.67605930224760 0.44543114933793 32.065 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.197060949999997 0.000000000000000 0.000000000000000 b 0.000000000000000 8.197060949999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.360048079999999 Atomic positions (fractional): *1 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 1 2 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 1 3 Yb 0.00000000000000 0.50000000000000 0.37500000000000 173.054 > 2 4 Yb 0.00000000000000 0.50000000000000 0.87500000000000 173.054 > 2 5 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 1 6 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 1 7 Yb 0.50000000000000 0.00000000000000 0.12500000000000 173.054 > 2 8 Yb 0.50000000000000 0.00000000000000 0.62500000000000 173.054 > 2 *9 Dy 0.12784706483560 0.75000000000000 0.06250000000000 162.500 > 3 10 Dy 0.12784706483560 0.75000000000000 0.56250000000000 162.500 > 3 11 Dy 0.25000000000000 0.37215293516440 0.18750000000000 162.500 > 4 12 Dy 0.25000000000000 0.37215293516440 0.68750000000000 162.500 > 4 13 Dy 0.37215293516440 0.75000000000000 0.31250000000000 162.500 > 5 14 Dy 0.37215293516440 0.75000000000000 0.81250000000000 162.500 > 5 15 Dy 0.25000000000000 0.12784706483560 0.43750000000000 162.500 > 6 16 Dy 0.25000000000000 0.12784706483560 0.93750000000000 162.500 > 6 17 Dy 0.62784706483560 0.25000000000000 0.31250000000000 162.500 > 3 18 Dy 0.62784706483560 0.25000000000000 0.81250000000000 162.500 > 3 19 Dy 0.75000000000000 0.87215293516440 0.43750000000000 162.500 > 4 20 Dy 0.75000000000000 0.87215293516440 0.93750000000000 162.500 > 4 21 Dy 0.87215293516440 0.25000000000000 0.06250000000000 162.500 > 5 22 Dy 0.87215293516440 0.25000000000000 0.56250000000000 162.500 > 5 23 Dy 0.75000000000000 0.62784706483560 0.18750000000000 162.500 > 6 24 Dy 0.75000000000000 0.62784706483560 0.68750000000000 162.500 > 6 *25 S 0.92565120126366 0.17605930224760 0.40228442533103 32.065 > 7 26 S 0.92565120126366 0.17605930224760 0.90228442533103 32.065 > 7 27 S 0.17605930224760 0.42565120126366 0.02728442533103 32.065 > 8 28 S 0.17605930224760 0.42565120126366 0.52728442533104 32.065 > 8 29 S 0.92565120126366 0.32394069775240 0.22271557466896 32.065 > 9 30 S 0.92565120126366 0.32394069775240 0.72271557466896 32.065 > 9 31 S 0.32394069775240 0.07434879873634 0.27728442533103 32.065 > 10 32 S 0.32394069775240 0.07434879873634 0.77728442533103 32.065 > 10 33 S 0.32394069775240 0.42565120126366 0.34771557466897 32.065 > 11 34 S 0.32394069775240 0.42565120126366 0.84771557466897 32.065 > 11 35 S 0.57434879873634 0.32394069775240 0.15228442533104 32.065 > 12 36 S 0.57434879873634 0.32394069775240 0.65228442533104 32.065 > 12 37 S 0.17605930224760 0.07434879873634 0.09771557466896 32.065 > 13 38 S 0.17605930224760 0.07434879873634 0.59771557466896 32.065 > 13 39 S 0.57434879873634 0.17605930224760 0.47271557466897 32.065 > 14 40 S 0.57434879873634 0.17605930224760 0.97271557466897 32.065 > 14 41 S 0.42565120126366 0.67605930224760 0.15228442533104 32.065 > 7 42 S 0.42565120126366 0.67605930224760 0.65228442533104 32.065 > 7 43 S 0.67605930224760 0.92565120126366 0.27728442533103 32.065 > 8 44 S 0.67605930224760 0.92565120126366 0.77728442533103 32.065 > 8 45 S 0.42565120126366 0.82394069775240 0.47271557466897 32.065 > 9 46 S 0.42565120126366 0.82394069775240 0.97271557466897 32.065 > 9 47 S 0.82394069775240 0.57434879873634 0.02728442533103 32.065 > 10 48 S 0.82394069775240 0.57434879873634 0.52728442533104 32.065 > 10 49 S 0.82394069775240 0.92565120126366 0.09771557466896 32.065 > 11 50 S 0.82394069775240 0.92565120126366 0.59771557466896 32.065 > 11 51 S 0.07434879873634 0.82394069775240 0.40228442533103 32.065 > 12 52 S 0.07434879873634 0.82394069775240 0.90228442533103 32.065 > 12 53 S 0.67605930224760 0.57434879873634 0.34771557466897 32.065 > 13 54 S 0.67605930224760 0.57434879873634 0.84771557466897 32.065 > 13 55 S 0.07434879873634 0.67605930224760 0.22271557466896 32.065 > 14 56 S 0.07434879873634 0.67605930224760 0.72271557466896 32.065 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3540001 0.0000000 0.0000000 0.0000000 8.3540001 0.0000000 0.0000000 0.0000000 8.2662763 -------------------------- Born effective charges -------------------------- 1 Yb 2.4513634 -0.0843346 -0.0000000 0.0843346 2.4513634 0.0000000 0.0000000 -0.0000000 2.7919771 2 Yb 2.4513634 0.0843346 -0.0000000 -0.0843346 2.4513634 0.0000000 0.0000000 -0.0000000 2.7919771 3 Dy 3.8123696 0.0000000 -0.0000000 0.0000000 4.0824362 -0.2766714 0.0000000 -0.2281232 3.7694132 4 Dy 4.0824362 0.0000000 0.2766714 0.0000000 3.8123696 0.0000000 0.2281232 -0.0000000 3.7694132 5 Dy 3.8123696 0.0000000 -0.0000000 0.0000000 4.0824362 0.2766714 0.0000000 0.2281232 3.7694132 6 Dy 4.0824362 0.0000000 -0.2766714 0.0000000 3.8123696 0.0000000 -0.2281232 -0.0000000 3.7694132 7 S -2.8736294 -0.1400312 -0.2325624 -0.1533495 -2.2994552 -0.1736427 -0.3760826 -0.0618629 -2.5827009 8 S -2.2994552 -0.1533495 -0.1736427 -0.1400312 -2.8736294 -0.2325624 -0.0618629 -0.3760826 -2.5827009 9 S -2.8736294 0.1400312 0.2325624 0.1533495 -2.2994552 -0.1736427 0.3760826 -0.0618629 -2.5827009 10 S -2.2994552 -0.1533495 0.1736427 -0.1400312 -2.8736294 0.2325624 0.0618629 0.3760826 -2.5827009 11 S -2.2994552 0.1533495 -0.1736427 0.1400312 -2.8736294 0.2325624 -0.0618629 0.3760826 -2.5827009 12 S -2.8736294 -0.1400312 0.2325624 -0.1533495 -2.2994552 0.1736427 0.3760826 0.0618629 -2.5827009 13 S -2.2994552 0.1533495 0.1736427 0.1400312 -2.8736294 -0.2325624 0.0618629 -0.3760826 -2.5827009 14 S -2.8736294 0.1400312 -0.2325624 0.1533495 -2.2994552 0.1736427 -0.3760826 0.0618629 -2.5827009 ---------------------------------------------------------------------------- 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: 168/168 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 474 Number of blocks in projector: 474 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 123 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 63 Use standard eigh solver. Tree of FC basis block matrices: - (474, 457), data: False |-- (63, 60), data: True |-- (96, 93), data: True |-- (123, 118), data: True |-- (192, 186), data: True ----- Solver_atoms: 1 -- 56 / 56 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.208 Solver_block: 200 / 240 - Time: 0.217 Solver_block: 240 / 240 - Time: 0.100 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.533 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 168/168 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 474 Number of blocks in projector: 474 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 123 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 63 Use standard eigh solver. Tree of FC basis block matrices: - (474, 457), data: False |-- (63, 60), data: True |-- (96, 93), data: True |-- (123, 118), data: True |-- (192, 186), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 21:40:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:40:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.098530474999999 4.098530474999999 4.090012020000000 b 4.098530474999999 -4.098530474999999 4.090012020000000 c 4.098530474999999 4.098530474999999 -4.090012020000000 Atomic positions (fractional): 1 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 2 Yb 0.25000000000000 0.75000000000000 0.50000000000000 173.054 3 Dy 0.87500000000000 0.25284706483560 0.87784706483560 162.500 4 Dy 0.74715293516440 0.62500000000000 0.62215293516440 162.500 5 Dy 0.37500000000000 0.99715293516440 0.12215293516440 162.500 6 Dy 0.00284706483560 0.12500000000000 0.37784706483560 162.500 7 S 0.98062815290967 0.73022005192573 0.10171050351127 32.065 8 S 0.48022005192573 0.23062815290967 0.60171050351127 32.065 9 S 0.76937184709033 0.37108235060159 0.24959189901606 32.065 10 S 0.62891764939841 0.87850954841447 0.39828949648873 32.065 11 S 0.12108235060159 0.01937184709033 0.74959189901606 32.065 12 S 0.62850954841447 0.87891764939841 0.89828949648873 32.065 13 S 0.26977994807427 0.37149045158553 0.25040810098394 32.065 14 S 0.12149045158553 0.51977994807427 0.75040810098394 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.197060949999997 0.000000000000000 0.000000000000000 b 0.000000000000000 8.197060949999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.360048079999999 Atomic positions (fractional): 1 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 1 2 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 1 3 Yb 0.00000000000000 0.50000000000000 0.37500000000000 173.054 > 3 4 Yb 0.00000000000000 0.50000000000000 0.87500000000000 173.054 > 3 5 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 1 6 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 1 7 Yb 0.50000000000000 0.00000000000000 0.12500000000000 173.054 > 3 8 Yb 0.50000000000000 0.00000000000000 0.62500000000000 173.054 > 3 9 Dy 0.12784706483560 0.75000000000000 0.06250000000000 162.500 > 9 10 Dy 0.12784706483560 0.75000000000000 0.56250000000000 162.500 > 9 11 Dy 0.25000000000000 0.37215293516440 0.18750000000000 162.500 > 11 12 Dy 0.25000000000000 0.37215293516440 0.68750000000000 162.500 > 11 13 Dy 0.37215293516440 0.75000000000000 0.31250000000000 162.500 > 13 14 Dy 0.37215293516440 0.75000000000000 0.81250000000000 162.500 > 13 15 Dy 0.25000000000000 0.12784706483560 0.43750000000000 162.500 > 15 16 Dy 0.25000000000000 0.12784706483560 0.93750000000000 162.500 > 15 17 Dy 0.62784706483560 0.25000000000000 0.31250000000000 162.500 > 9 18 Dy 0.62784706483560 0.25000000000000 0.81250000000000 162.500 > 9 19 Dy 0.75000000000000 0.87215293516440 0.43750000000000 162.500 > 11 20 Dy 0.75000000000000 0.87215293516440 0.93750000000000 162.500 > 11 21 Dy 0.87215293516440 0.25000000000000 0.06250000000000 162.500 > 13 22 Dy 0.87215293516440 0.25000000000000 0.56250000000000 162.500 > 13 23 Dy 0.75000000000000 0.62784706483560 0.18750000000000 162.500 > 15 24 Dy 0.75000000000000 0.62784706483560 0.68750000000000 162.500 > 15 25 S 0.92565120126366 0.17605930224760 0.40228442533103 32.065 > 25 26 S 0.92565120126366 0.17605930224760 0.90228442533103 32.065 > 25 27 S 0.17605930224760 0.42565120126366 0.02728442533103 32.065 > 27 28 S 0.17605930224760 0.42565120126366 0.52728442533104 32.065 > 27 29 S 0.92565120126366 0.32394069775240 0.22271557466896 32.065 > 29 30 S 0.92565120126366 0.32394069775240 0.72271557466896 32.065 > 29 31 S 0.32394069775240 0.07434879873634 0.27728442533103 32.065 > 31 32 S 0.32394069775240 0.07434879873634 0.77728442533103 32.065 > 31 33 S 0.32394069775240 0.42565120126366 0.34771557466897 32.065 > 33 34 S 0.32394069775240 0.42565120126366 0.84771557466897 32.065 > 33 35 S 0.57434879873634 0.32394069775240 0.15228442533104 32.065 > 35 36 S 0.57434879873634 0.32394069775240 0.65228442533104 32.065 > 35 37 S 0.17605930224760 0.07434879873634 0.09771557466896 32.065 > 37 38 S 0.17605930224760 0.07434879873634 0.59771557466896 32.065 > 37 39 S 0.57434879873634 0.17605930224760 0.47271557466897 32.065 > 39 40 S 0.57434879873634 0.17605930224760 0.97271557466897 32.065 > 39 41 S 0.42565120126366 0.67605930224760 0.15228442533104 32.065 > 25 42 S 0.42565120126366 0.67605930224760 0.65228442533104 32.065 > 25 43 S 0.67605930224760 0.92565120126366 0.27728442533103 32.065 > 27 44 S 0.67605930224760 0.92565120126366 0.77728442533103 32.065 > 27 45 S 0.42565120126366 0.82394069775240 0.47271557466897 32.065 > 29 46 S 0.42565120126366 0.82394069775240 0.97271557466897 32.065 > 29 47 S 0.82394069775240 0.57434879873634 0.02728442533103 32.065 > 31 48 S 0.82394069775240 0.57434879873634 0.52728442533104 32.065 > 31 49 S 0.82394069775240 0.92565120126366 0.09771557466896 32.065 > 33 50 S 0.82394069775240 0.92565120126366 0.59771557466896 32.065 > 33 51 S 0.07434879873634 0.82394069775240 0.40228442533103 32.065 > 35 52 S 0.07434879873634 0.82394069775240 0.90228442533103 32.065 > 35 53 S 0.67605930224760 0.57434879873634 0.34771557466897 32.065 > 37 54 S 0.67605930224760 0.57434879873634 0.84771557466897 32.065 > 37 55 S 0.07434879873634 0.67605930224760 0.22271557466896 32.065 > 39 56 S 0.07434879873634 0.67605930224760 0.72271557466896 32.065 > 39 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3540001 0.0000000 0.0000000 0.0000000 8.3540001 0.0000000 0.0000000 0.0000000 8.2662763 -------------------------- Born effective charges -------------------------- 1 Yb 2.4513634 -0.0843346 -0.0000000 0.0843346 2.4513634 0.0000000 0.0000000 -0.0000000 2.7919771 2 Yb 2.4513634 0.0843346 -0.0000000 -0.0843346 2.4513634 0.0000000 0.0000000 -0.0000000 2.7919771 3 Dy 3.8123696 0.0000000 -0.0000000 0.0000000 4.0824362 -0.2766714 0.0000000 -0.2281232 3.7694132 4 Dy 4.0824362 0.0000000 0.2766714 0.0000000 3.8123696 0.0000000 0.2281232 -0.0000000 3.7694132 5 Dy 3.8123696 0.0000000 -0.0000000 0.0000000 4.0824362 0.2766714 0.0000000 0.2281232 3.7694132 6 Dy 4.0824362 0.0000000 -0.2766714 0.0000000 3.8123696 0.0000000 -0.2281232 -0.0000000 3.7694132 7 S -2.8736294 -0.1400312 -0.2325624 -0.1533495 -2.2994552 -0.1736427 -0.3760826 -0.0618629 -2.5827009 8 S -2.2994552 -0.1533495 -0.1736427 -0.1400312 -2.8736294 -0.2325624 -0.0618629 -0.3760826 -2.5827009 9 S -2.8736294 0.1400312 0.2325624 0.1533495 -2.2994552 -0.1736427 0.3760826 -0.0618629 -2.5827009 10 S -2.2994552 -0.1533495 0.1736427 -0.1400312 -2.8736294 0.2325624 0.0618629 0.3760826 -2.5827009 11 S -2.2994552 0.1533495 -0.1736427 0.1400312 -2.8736294 0.2325624 -0.0618629 0.3760826 -2.5827009 12 S -2.8736294 -0.1400312 0.2325624 -0.1533495 -2.2994552 0.1736427 0.3760826 0.0618629 -2.5827009 13 S -2.2994552 0.1533495 0.1736427 0.1400312 -2.8736294 -0.2325624 0.0618629 -0.3760826 -2.5827009 14 S -2.8736294 0.1400312 -0.2325624 0.1533495 -2.2994552 0.1736427 -0.3760826 0.0618629 -2.5827009 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (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 21:40:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:40:59]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.098530474999999 4.098530474999999 4.090012020000000 b 4.098530474999999 -4.098530474999999 4.090012020000000 c 4.098530474999999 4.098530474999999 -4.090012020000000 Atomic positions (fractional): 1 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 2 Yb 0.25000000000000 0.75000000000000 0.50000000000000 173.054 3 Dy 0.87500000000000 0.25284706483560 0.87784706483560 162.500 4 Dy 0.74715293516440 0.62500000000000 0.62215293516440 162.500 5 Dy 0.37500000000000 0.99715293516440 0.12215293516440 162.500 6 Dy 0.00284706483560 0.12500000000000 0.37784706483560 162.500 7 S 0.98062815290967 0.73022005192573 0.10171050351127 32.065 8 S 0.48022005192573 0.23062815290967 0.60171050351127 32.065 9 S 0.76937184709033 0.37108235060159 0.24959189901606 32.065 10 S 0.62891764939841 0.87850954841447 0.39828949648873 32.065 11 S 0.12108235060159 0.01937184709033 0.74959189901606 32.065 12 S 0.62850954841447 0.87891764939841 0.89828949648873 32.065 13 S 0.26977994807427 0.37149045158553 0.25040810098394 32.065 14 S 0.12149045158553 0.51977994807427 0.75040810098394 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.197060949999997 0.000000000000000 0.000000000000000 b 0.000000000000000 8.197060949999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.360048079999999 Atomic positions (fractional): 1 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 1 2 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 1 3 Yb 0.00000000000000 0.50000000000000 0.37500000000000 173.054 > 3 4 Yb 0.00000000000000 0.50000000000000 0.87500000000000 173.054 > 3 5 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 1 6 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 1 7 Yb 0.50000000000000 0.00000000000000 0.12500000000000 173.054 > 3 8 Yb 0.50000000000000 0.00000000000000 0.62500000000000 173.054 > 3 9 Dy 0.12784706483560 0.75000000000000 0.06250000000000 162.500 > 9 10 Dy 0.12784706483560 0.75000000000000 0.56250000000000 162.500 > 9 11 Dy 0.25000000000000 0.37215293516440 0.18750000000000 162.500 > 11 12 Dy 0.25000000000000 0.37215293516440 0.68750000000000 162.500 > 11 13 Dy 0.37215293516440 0.75000000000000 0.31250000000000 162.500 > 13 14 Dy 0.37215293516440 0.75000000000000 0.81250000000000 162.500 > 13 15 Dy 0.25000000000000 0.12784706483560 0.43750000000000 162.500 > 15 16 Dy 0.25000000000000 0.12784706483560 0.93750000000000 162.500 > 15 17 Dy 0.62784706483560 0.25000000000000 0.31250000000000 162.500 > 9 18 Dy 0.62784706483560 0.25000000000000 0.81250000000000 162.500 > 9 19 Dy 0.75000000000000 0.87215293516440 0.43750000000000 162.500 > 11 20 Dy 0.75000000000000 0.87215293516440 0.93750000000000 162.500 > 11 21 Dy 0.87215293516440 0.25000000000000 0.06250000000000 162.500 > 13 22 Dy 0.87215293516440 0.25000000000000 0.56250000000000 162.500 > 13 23 Dy 0.75000000000000 0.62784706483560 0.18750000000000 162.500 > 15 24 Dy 0.75000000000000 0.62784706483560 0.68750000000000 162.500 > 15 25 S 0.92565120126366 0.17605930224760 0.40228442533103 32.065 > 25 26 S 0.92565120126366 0.17605930224760 0.90228442533103 32.065 > 25 27 S 0.17605930224760 0.42565120126366 0.02728442533103 32.065 > 27 28 S 0.17605930224760 0.42565120126366 0.52728442533104 32.065 > 27 29 S 0.92565120126366 0.32394069775240 0.22271557466896 32.065 > 29 30 S 0.92565120126366 0.32394069775240 0.72271557466896 32.065 > 29 31 S 0.32394069775240 0.07434879873634 0.27728442533103 32.065 > 31 32 S 0.32394069775240 0.07434879873634 0.77728442533103 32.065 > 31 33 S 0.32394069775240 0.42565120126366 0.34771557466897 32.065 > 33 34 S 0.32394069775240 0.42565120126366 0.84771557466897 32.065 > 33 35 S 0.57434879873634 0.32394069775240 0.15228442533104 32.065 > 35 36 S 0.57434879873634 0.32394069775240 0.65228442533104 32.065 > 35 37 S 0.17605930224760 0.07434879873634 0.09771557466896 32.065 > 37 38 S 0.17605930224760 0.07434879873634 0.59771557466896 32.065 > 37 39 S 0.57434879873634 0.17605930224760 0.47271557466897 32.065 > 39 40 S 0.57434879873634 0.17605930224760 0.97271557466897 32.065 > 39 41 S 0.42565120126366 0.67605930224760 0.15228442533104 32.065 > 25 42 S 0.42565120126366 0.67605930224760 0.65228442533104 32.065 > 25 43 S 0.67605930224760 0.92565120126366 0.27728442533103 32.065 > 27 44 S 0.67605930224760 0.92565120126366 0.77728442533103 32.065 > 27 45 S 0.42565120126366 0.82394069775240 0.47271557466897 32.065 > 29 46 S 0.42565120126366 0.82394069775240 0.97271557466897 32.065 > 29 47 S 0.82394069775240 0.57434879873634 0.02728442533103 32.065 > 31 48 S 0.82394069775240 0.57434879873634 0.52728442533104 32.065 > 31 49 S 0.82394069775240 0.92565120126366 0.09771557466896 32.065 > 33 50 S 0.82394069775240 0.92565120126366 0.59771557466896 32.065 > 33 51 S 0.07434879873634 0.82394069775240 0.40228442533103 32.065 > 35 52 S 0.07434879873634 0.82394069775240 0.90228442533103 32.065 > 35 53 S 0.67605930224760 0.57434879873634 0.34771557466897 32.065 > 37 54 S 0.67605930224760 0.57434879873634 0.84771557466897 32.065 > 37 55 S 0.07434879873634 0.67605930224760 0.22271557466896 32.065 > 39 56 S 0.07434879873634 0.67605930224760 0.72271557466896 32.065 > 39 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3540001 0.0000000 0.0000000 0.0000000 8.3540001 0.0000000 0.0000000 0.0000000 8.2662763 -------------------------- Born effective charges -------------------------- 1 Yb 2.4513634 -0.0843346 -0.0000000 0.0843346 2.4513634 0.0000000 0.0000000 -0.0000000 2.7919771 2 Yb 2.4513634 0.0843346 -0.0000000 -0.0843346 2.4513634 0.0000000 0.0000000 -0.0000000 2.7919771 3 Dy 3.8123696 0.0000000 -0.0000000 0.0000000 4.0824362 -0.2766714 0.0000000 -0.2281232 3.7694132 4 Dy 4.0824362 0.0000000 0.2766714 0.0000000 3.8123696 0.0000000 0.2281232 -0.0000000 3.7694132 5 Dy 3.8123696 0.0000000 -0.0000000 0.0000000 4.0824362 0.2766714 0.0000000 0.2281232 3.7694132 6 Dy 4.0824362 0.0000000 -0.2766714 0.0000000 3.8123696 0.0000000 -0.2281232 -0.0000000 3.7694132 7 S -2.8736294 -0.1400312 -0.2325624 -0.1533495 -2.2994552 -0.1736427 -0.3760826 -0.0618629 -2.5827009 8 S -2.2994552 -0.1533495 -0.1736427 -0.1400312 -2.8736294 -0.2325624 -0.0618629 -0.3760826 -2.5827009 9 S -2.8736294 0.1400312 0.2325624 0.1533495 -2.2994552 -0.1736427 0.3760826 -0.0618629 -2.5827009 10 S -2.2994552 -0.1533495 0.1736427 -0.1400312 -2.8736294 0.2325624 0.0618629 0.3760826 -2.5827009 11 S -2.2994552 0.1533495 -0.1736427 0.1400312 -2.8736294 0.2325624 -0.0618629 0.3760826 -2.5827009 12 S -2.8736294 -0.1400312 0.2325624 -0.1533495 -2.2994552 0.1736427 0.3760826 0.0618629 -2.5827009 13 S -2.2994552 0.1533495 0.1736427 0.1400312 -2.8736294 -0.2325624 0.0618629 -0.3760826 -2.5827009 14 S -2.8736294 0.1400312 -0.2325624 0.1533495 -2.2994552 0.1736427 -0.3760826 0.0618629 -2.5827009 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 9 9 ] 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: 321, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 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 2.106 ( 0.000 0.000 0.000) 0.000 2.275 ( -0.000 -0.000 0.000) 0.000 2.392 ( -0.000 -0.000 0.000) 0.000 2.393 ( -0.000 0.000 0.000) 0.000 2.393 ( 0.000 0.000 0.000) 0.000 2.765 ( -0.000 -0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 3.121 ( -0.000 -0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.573 ( -0.000 -0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 -0.000 0.000) 0.000 3.859 ( 0.000 -0.000 0.000) 0.000 5.783 ( -0.000 0.000 0.000) 0.000 5.783 ( 0.000 -0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.282 ( -0.000 -0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 7.302 ( 0.000 -0.000 0.000) 0.000 7.434 ( -0.000 -0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 8.056 ( -0.000 -0.000 0.000) 0.000 8.416 ( 0.000 0.000 0.000) 0.000 8.560 ( 0.000 0.000 0.000) 0.000 8.777 ( -0.000 -0.000 0.000) 0.000 9.077 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.209 ( 0.000 0.000 0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 14.924 17.660) 23.122 0.498 ( 0.000 18.154 17.565) 25.261 0.842 ( 0.000 27.060 33.489) 43.055 2.098 ( -0.000 -0.784 -0.264) 0.827 2.236 ( -0.000 -2.614 -1.895) 3.228 2.396 ( -0.000 0.583 -0.116) 0.595 2.413 ( -0.000 2.388 -1.130) 2.642 2.424 ( 0.000 -0.123 2.875) 2.877 2.758 ( -0.000 -0.633 -0.991) 1.176 2.772 ( -0.000 0.377 -1.785) 1.824 2.873 ( 0.000 -0.550 3.018) 3.067 3.055 ( -0.000 -1.195 -5.360) 5.492 3.376 ( -0.000 -4.023 -3.498) 5.331 3.430 ( -0.000 2.784 -6.662) 7.220 3.667 ( 0.000 -2.661 4.573) 5.291 3.743 ( 0.000 -5.149 6.935) 8.637 3.888 ( -0.000 -0.514 -1.156) 1.265 3.922 ( 0.000 4.517 1.335) 4.710 5.785 ( 0.000 -0.754 0.647) 0.993 5.815 ( 0.000 -0.588 0.530) 0.792 5.946 ( -0.000 3.704 -6.893) 7.825 6.024 ( 0.000 0.248 0.444) 0.509 6.049 ( -0.000 1.199 -0.506) 1.302 6.160 ( -0.000 9.775 -6.609) 11.799 6.241 ( 0.000 -1.724 1.852) 2.530 6.299 ( 0.000 -0.145 2.162) 2.167 6.305 ( 0.000 0.613 2.258) 2.339 7.090 ( 0.000 -4.810 -0.424) 4.829 7.118 ( 0.000 -1.548 0.271) 1.572 7.238 ( -0.000 -4.002 -3.109) 5.068 7.468 ( 0.000 4.992 2.003) 5.379 7.676 ( 0.000 1.695 2.369) 2.913 7.738 ( -0.000 10.090 0.583) 10.106 8.074 ( 0.000 1.552 0.822) 1.756 8.399 ( -0.000 -0.382 -2.052) 2.087 8.563 ( 0.000 -0.360 0.725) 0.810 8.723 ( -0.000 -2.567 -3.832) 4.613 8.818 ( 0.000 -14.133 13.800) 19.753 9.070 ( -0.000 1.602 -2.604) 3.057 9.190 ( -0.000 -1.685 -1.045) 1.982 9.224 ( -0.000 0.930 -2.516) 2.682 9.537 ( -0.000 0.068 -1.038) 1.040 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 0.000 13.839 16.458) 21.503 0.959 ( 0.000 16.026 15.831) 22.526 1.616 ( 0.000 22.972 28.751) 36.801 2.075 ( 0.000 -2.257 -0.399) 2.292 2.186 ( -0.000 -0.889 -0.863) 1.239 2.394 ( -0.000 0.329 -1.778) 1.808 2.424 ( -0.000 1.116 -1.870) 2.178 2.463 ( 0.000 0.403 2.781) 2.810 2.694 ( -0.000 -2.268 -2.919) 3.697 2.765 ( -0.000 0.529 -0.301) 0.609 2.911 ( 0.000 -1.937 4.279) 4.697 3.007 ( -0.000 3.736 -4.611) 5.934 3.273 ( -0.000 -2.766 -3.315) 4.317 3.326 ( -0.000 -1.326 -8.727) 8.827 3.657 ( -0.000 -2.432 -1.355) 2.784 3.797 ( 0.000 -2.418 7.032) 7.436 3.859 ( 0.000 -2.561 -0.283) 2.577 3.990 ( 0.000 2.696 1.005) 2.877 5.769 ( 0.000 -3.394 0.884) 3.507 5.812 ( 0.000 -0.744 0.020) 0.744 5.875 ( -0.000 -1.355 -4.059) 4.279 6.013 ( -0.000 0.318 -2.083) 2.107 6.082 ( -0.000 3.137 -0.067) 3.138 6.227 ( 0.000 -1.510 0.724) 1.675 6.267 ( 0.000 4.404 5.059) 6.708 6.340 ( 0.000 0.879 4.066) 4.160 6.356 ( 0.000 1.359 3.340) 3.606 6.986 ( -0.000 -6.853 -2.281) 7.223 7.095 ( -0.000 -1.614 -0.962) 1.879 7.164 ( -0.000 -1.647 -1.662) 2.340 7.592 ( 0.000 6.728 4.076) 7.866 7.755 ( 0.000 3.146 4.136) 5.196 7.895 ( -0.000 10.279 1.519) 10.391 8.107 ( -0.000 2.048 -0.261) 2.064 8.360 ( -0.000 -0.577 -2.007) 2.088 8.570 ( 0.000 -0.122 0.761) 0.771 8.615 ( -0.000 -2.528 -6.805) 7.260 8.794 ( 0.000 -12.303 9.202) 15.364 9.045 ( -0.000 2.027 -5.024) 5.418 9.144 ( -0.000 -2.241 -1.269) 2.576 9.198 ( -0.000 0.540 -2.470) 2.528 9.514 ( -0.000 -0.392 -1.987) 2.026 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 11.799 14.396) 18.614 1.350 ( 0.000 12.824 12.549) 17.942 2.003 ( 0.000 -3.443 -0.390) 3.465 2.126 ( 0.000 -0.131 7.949) 7.950 2.241 ( 0.000 8.673 2.548) 9.039 2.316 ( -0.000 -3.115 -4.729) 5.662 2.397 ( -0.000 1.694 0.295) 1.719 2.548 ( 0.000 5.844 2.811) 6.485 2.715 ( 0.000 3.699 5.722) 6.814 2.777 ( 0.000 0.591 1.230) 1.365 2.902 ( 0.000 -3.073 0.192) 3.079 3.013 ( -0.000 3.296 -1.215) 3.513 3.181 ( -0.000 -2.284 -7.375) 7.721 3.255 ( -0.000 2.039 0.570) 2.117 3.576 ( -0.000 -4.408 -2.930) 5.293 3.776 ( -0.000 -5.748 -4.335) 7.200 3.852 ( 0.000 -1.457 4.236) 4.479 4.022 ( -0.000 1.112 0.208) 1.131 5.718 ( 0.000 -4.261 0.002) 4.261 5.787 ( -0.000 -0.923 -1.578) 1.828 5.831 ( -0.000 -0.359 -1.076) 1.134 5.990 ( -0.000 0.301 -1.515) 1.544 6.114 ( 0.000 -0.211 0.989) 1.012 6.206 ( 0.000 -1.078 0.103) 1.083 6.365 ( 0.000 -0.283 5.247) 5.255 6.418 ( 0.000 2.336 2.104) 3.144 6.478 ( 0.000 6.101 6.493) 8.909 6.873 ( 0.000 -5.195 -1.201) 5.332 7.044 ( -0.000 -1.131 -3.780) 3.946 7.137 ( -0.000 -0.666 -0.543) 0.859 7.751 ( 0.000 6.361 5.811) 8.615 7.864 ( 0.000 3.412 4.954) 6.016 8.032 ( 0.000 4.466 1.971) 4.882 8.109 ( -0.000 2.132 -2.820) 3.535 8.357 ( 0.000 1.807 0.678) 1.930 8.471 ( -0.000 -2.888 -7.805) 8.322 8.580 ( -0.000 0.773 -0.669) 1.022 8.738 ( 0.000 -11.459 6.547) 13.198 8.986 ( -0.000 0.156 -5.328) 5.330 9.108 ( -0.000 -0.583 -1.062) 1.211 9.178 ( -0.000 0.958 -1.749) 1.994 9.474 ( -0.000 -1.032 -2.333) 2.551 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.000 6.307 7.953) 10.151 1.636 ( 0.000 8.086 7.392) 10.955 1.935 ( 0.000 -3.301 -0.504) 3.340 2.041 ( -0.000 -6.055 -7.436) 9.590 2.228 ( 0.000 -0.329 1.246) 1.288 2.303 ( -0.000 -0.443 -1.538) 1.600 2.518 ( 0.000 5.619 3.695) 6.724 2.627 ( -0.000 2.585 -0.143) 2.589 2.704 ( -0.000 -4.094 -3.419) 5.334 2.847 ( 0.000 1.201 2.367) 2.654 3.001 ( 0.000 2.252 4.673) 5.187 3.008 ( -0.000 -1.565 -3.008) 3.391 3.185 ( 0.000 9.820 8.146) 12.759 3.310 ( 0.000 2.507 0.998) 2.698 3.483 ( -0.000 -3.014 -1.992) 3.613 3.572 ( -0.000 -9.637 -8.835) 13.074 3.877 ( 0.000 -0.537 1.448) 1.545 4.031 ( -0.000 0.291 -0.100) 0.308 5.674 ( 0.000 -1.662 -0.155) 1.670 5.761 ( -0.000 -0.498 -0.570) 0.757 5.819 ( -0.000 -0.028 -0.474) 0.475 5.983 ( -0.000 0.214 -0.299) 0.367 6.106 ( 0.000 -1.073 0.084) 1.076 6.207 ( 0.000 0.098 0.341) 0.355 6.424 ( 0.000 -0.543 4.025) 4.061 6.454 ( -0.000 1.295 -0.893) 1.573 6.608 ( 0.000 2.774 2.023) 3.433 6.846 ( 0.000 -1.106 3.887) 4.041 6.964 ( -0.000 -0.831 -5.445) 5.508 7.125 ( -0.000 -0.355 -0.220) 0.418 7.902 ( 0.000 4.936 4.055) 6.388 7.963 ( 0.000 -0.340 3.756) 3.771 8.037 ( -0.000 0.110 -1.054) 1.060 8.129 ( -0.000 1.745 -0.148) 1.751 8.299 ( -0.000 -2.592 -6.017) 6.552 8.465 ( 0.000 4.335 3.603) 5.637 8.559 ( -0.000 -0.229 -3.864) 3.871 8.675 ( 0.000 -6.561 3.306) 7.347 8.928 ( -0.000 -0.287 -2.300) 2.318 9.095 ( -0.000 0.091 -0.475) 0.484 9.175 ( -0.000 0.634 -0.541) 0.833 9.434 ( -0.000 -0.700 -1.166) 1.361 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 9.526 9.526 18.526) 22.907 0.819 ( 10.205 10.205 18.072) 23.127 1.444 ( 13.353 13.353 34.992) 39.762 2.090 ( -0.207 -0.207 -0.586) 0.655 2.196 ( -1.962 -1.962 -1.466) 3.138 2.394 ( 0.558 0.558 -1.216) 1.449 2.407 ( 1.607 1.607 -1.435) 2.687 2.469 ( 0.387 0.387 3.334) 3.379 2.686 ( -4.570 -4.570 -2.768) 7.030 2.785 ( 1.887 1.887 -1.246) 2.945 2.924 ( -0.759 -0.759 4.668) 4.790 2.982 ( 2.356 2.356 -5.480) 6.413 3.289 ( -2.195 -2.195 -5.999) 6.755 3.334 ( 0.192 0.192 -7.927) 7.932 3.676 ( -1.559 -1.559 -0.632) 2.294 3.812 ( -2.574 -2.574 6.280) 7.258 3.897 ( 0.136 0.136 -0.024) 0.194 3.954 ( 1.647 1.647 1.941) 3.032 5.790 ( -1.206 -1.206 1.738) 2.435 5.814 ( -1.172 -1.172 0.410) 1.707 5.881 ( -1.555 -1.555 -2.265) 3.157 6.010 ( -0.640 -0.640 -2.834) 2.975 6.062 ( 2.647 2.647 0.381) 3.763 6.209 ( 4.093 4.093 5.273) 7.831 6.254 ( -2.663 -2.663 2.720) 4.645 6.341 ( 0.725 0.725 2.339) 2.554 6.343 ( 0.039 0.039 3.922) 3.922 7.068 ( -3.333 -3.333 -0.369) 4.728 7.077 ( -2.840 -2.840 -3.019) 5.024 7.178 ( -0.547 -0.547 -3.314) 3.403 7.531 ( 2.586 2.586 5.517) 6.619 7.774 ( 3.926 3.926 2.956) 6.290 7.791 ( 5.988 5.988 3.798) 9.280 8.091 ( 1.453 1.453 -0.192) 2.064 8.366 ( -0.262 -0.262 -2.137) 2.169 8.573 ( 0.094 0.094 0.643) 0.656 8.630 ( 0.121 0.121 -8.832) 8.834 8.893 ( -5.034 -5.034 5.460) 8.972 9.039 ( -0.414 -0.414 -2.428) 2.497 9.167 ( -0.811 -0.811 -1.848) 2.175 9.187 ( -0.013 -0.013 -2.598) 2.598 9.505 ( -1.803 -1.803 -1.110) 2.781 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 7.203 9.273 16.782) 20.481 1.209 ( 4.593 11.902 15.323) 19.938 2.025 ( 5.876 7.248 14.810) 17.505 2.085 ( 1.022 4.031 6.249) 7.506 2.161 ( -2.076 -1.225 0.003) 2.410 2.364 ( 1.958 -1.561 -4.099) 4.803 2.404 ( 0.114 1.315 -1.713) 2.163 2.516 ( 1.851 -0.707 3.215) 3.776 2.617 ( -6.360 1.092 0.957) 6.523 2.802 ( 3.555 1.886 1.708) 4.372 2.957 ( 2.314 -0.282 -2.943) 3.755 2.969 ( -0.154 1.446 1.362) 1.992 3.185 ( -1.843 -0.356 -6.757) 7.013 3.243 ( 0.778 0.315 -3.332) 3.437 3.620 ( -1.483 -3.249 -2.563) 4.396 3.833 ( -0.968 -2.900 0.164) 3.062 3.878 ( 0.919 -1.350 -0.113) 1.637 3.999 ( -1.017 0.734 1.729) 2.136 5.772 ( -1.365 -4.349 -0.036) 4.558 5.797 ( -1.482 -1.905 1.052) 2.633 5.836 ( -1.344 -1.560 -0.706) 2.177 5.967 ( -2.331 -0.315 -1.940) 3.049 6.115 ( 1.342 1.462 2.604) 3.274 6.236 ( -0.818 -3.795 1.432) 4.138 6.328 ( -2.540 1.978 3.945) 5.092 6.397 ( -0.059 0.020 3.719) 3.720 6.426 ( 2.364 4.354 6.316) 8.027 6.952 ( 0.241 -5.563 -3.215) 6.430 7.032 ( -3.958 -1.010 -2.596) 4.840 7.138 ( -0.323 -0.224 -2.318) 2.351 7.676 ( 1.664 5.188 7.359) 9.156 7.862 ( 4.712 2.395 4.672) 7.055 7.960 ( 3.921 8.851 3.814) 10.405 8.093 ( 0.863 1.523 -2.831) 3.328 8.348 ( 0.542 0.305 -0.268) 0.677 8.497 ( 0.869 0.037 -10.461) 10.497 8.581 ( 0.496 0.180 0.067) 0.532 8.869 ( -2.097 -7.656 4.033) 8.903 8.987 ( 0.122 -0.709 -4.016) 4.080 9.125 ( 0.098 -1.424 -1.349) 1.963 9.159 ( -0.724 0.715 -2.024) 2.266 9.461 ( -3.255 -1.496 -1.984) 4.095 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 4.243 7.442 12.443) 15.107 1.534 ( 2.905 8.930 11.490) 14.839 1.998 ( 1.500 -3.558 -1.912) 4.308 2.121 ( -0.603 -3.931 -4.588) 6.072 2.242 ( 0.350 -2.110 -1.907) 2.866 2.297 ( -0.730 0.137 0.174) 0.763 2.458 ( 2.788 5.427 3.224) 6.901 2.570 ( -0.644 3.896 1.247) 4.141 2.690 ( -4.015 1.322 0.644) 4.276 2.867 ( 2.219 -1.753 -3.176) 4.253 2.964 ( 3.167 4.139 7.408) 9.058 3.027 ( 1.764 3.555 4.736) 6.179 3.101 ( 0.773 2.929 -2.650) 4.024 3.270 ( -0.134 2.510 2.051) 3.244 3.530 ( -1.403 -4.408 -2.466) 5.242 3.707 ( 1.290 -8.101 -6.834) 10.677 3.871 ( -1.019 0.579 -1.221) 1.693 4.020 ( -1.479 -0.405 1.238) 1.971 5.707 ( -1.221 -3.857 -0.417) 4.067 5.780 ( -0.511 -2.796 1.223) 3.094 5.815 ( -1.156 -0.779 -0.094) 1.397 5.952 ( -3.953 -0.211 -0.009) 3.959 6.143 ( 0.793 -2.790 2.117) 3.591 6.211 ( 0.064 -0.939 0.476) 1.055 6.390 ( -4.112 1.810 1.606) 4.771 6.435 ( -1.058 -0.753 2.420) 2.746 6.576 ( 1.895 3.598 5.420) 6.776 6.874 ( 0.158 -2.110 0.589) 2.197 6.968 ( -0.946 -1.294 -4.547) 4.821 7.106 ( -2.572 -0.080 -1.844) 3.166 7.848 ( 2.302 5.228 6.282) 8.491 7.964 ( 2.890 2.205 5.471) 6.569 8.053 ( 1.246 0.229 -2.461) 2.768 8.101 ( 3.835 5.981 -1.139) 7.196 8.330 ( 1.561 -0.477 -6.575) 6.775 8.409 ( 0.886 3.964 -0.901) 4.160 8.572 ( 1.274 -0.560 -1.248) 1.869 8.801 ( -0.825 -9.431 3.325) 10.034 8.922 ( -0.483 -0.207 -3.709) 3.746 9.103 ( 0.407 -0.680 0.145) 0.805 9.155 ( -0.754 1.122 -0.453) 1.426 9.415 ( -3.969 -0.918 -2.056) 4.563 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 2.605 -1.449 0.003) 2.981 1.716 ( 1.789 -1.144 1.528) 2.616 1.939 ( 2.133 -1.778 -2.484) 3.725 1.998 ( 1.959 0.940 2.096) 3.019 2.225 ( -0.400 0.238 -1.572) 1.639 2.292 ( -0.916 -0.202 1.337) 1.633 2.553 ( -0.375 1.823 0.161) 1.868 2.619 ( -3.605 0.967 0.187) 3.737 2.673 ( 2.885 0.334 0.001) 2.904 2.834 ( -1.971 0.808 -1.071) 2.384 2.989 ( 3.117 2.311 -2.640) 4.693 3.048 ( 2.598 0.610 -0.311) 2.687 3.306 ( 0.244 -2.288 -1.992) 3.043 3.328 ( 1.340 -0.061 5.490) 5.652 3.469 ( -0.495 -0.075 0.296) 0.581 3.495 ( 1.411 -2.031 0.298) 2.490 3.855 ( -1.279 1.749 -3.428) 4.056 4.026 ( -1.528 -0.675 0.849) 1.874 5.668 ( -0.893 -1.432 0.051) 1.688 5.765 ( -0.474 -1.608 1.291) 2.116 5.813 ( -1.488 -0.720 1.180) 2.031 5.955 ( -4.295 -0.480 1.050) 4.447 6.122 ( 1.099 -2.268 1.054) 2.732 6.210 ( -0.206 -0.386 0.046) 0.440 6.398 ( -2.792 0.745 -3.259) 4.356 6.448 ( -2.829 -1.413 1.586) 3.538 6.641 ( 1.762 -0.384 1.225) 2.180 6.855 ( 0.316 -1.625 -4.409) 4.709 6.941 ( -0.366 1.687 3.918) 4.281 7.093 ( -3.494 0.610 -0.514) 3.584 7.944 ( 2.142 2.498 -1.403) 3.577 7.981 ( 1.406 -3.462 -2.356) 4.417 8.065 ( 3.738 1.248 0.187) 3.945 8.128 ( 1.666 3.402 -0.404) 3.809 8.281 ( 3.071 2.261 0.859) 3.909 8.476 ( 0.696 5.259 -4.214) 6.775 8.543 ( 1.807 -0.338 1.000) 2.093 8.713 ( 0.396 -8.374 1.853) 8.586 8.904 ( -1.332 1.737 -0.006) 2.189 9.106 ( 0.555 -0.861 1.610) 1.908 9.170 ( -0.942 0.258 0.789) 1.256 9.395 ( -4.243 0.682 -0.267) 4.306 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 4.538 -10.935 -9.905) 15.436 1.540 ( 2.774 -11.653 -8.995) 14.980 1.958 ( 1.627 4.319 0.501) 4.642 2.109 ( 0.287 2.108 -0.290) 2.147 2.239 ( 0.580 4.100 4.152) 5.864 2.315 ( -1.360 -1.428 1.765) 2.646 2.490 ( 2.424 -4.706 -2.683) 5.934 2.620 ( -3.250 -2.746 0.358) 4.270 2.683 ( -1.983 -2.321 -2.988) 4.272 2.845 ( 4.618 2.428 -1.571) 5.449 2.923 ( 2.341 -5.509 -6.567) 8.885 3.044 ( 1.344 -0.791 0.485) 1.634 3.158 ( 0.059 -0.096 1.572) 1.576 3.285 ( -0.911 -3.759 -1.542) 4.164 3.510 ( -1.000 3.973 2.888) 5.013 3.698 ( 1.425 6.785 7.177) 9.979 3.827 ( -0.627 2.216 -4.537) 5.088 4.024 ( -1.554 -0.794 0.183) 1.755 5.670 ( -1.023 1.521 0.156) 1.840 5.773 ( -1.502 -0.461 1.746) 2.349 5.824 ( -1.129 -0.283 1.433) 1.846 5.970 ( -3.502 -0.503 2.384) 4.266 6.119 ( 0.632 -0.701 1.201) 1.527 6.199 ( -0.648 -0.318 -0.659) 0.977 6.346 ( -1.712 0.312 -4.619) 4.936 6.425 ( -3.156 -2.015 -1.695) 4.111 6.579 ( 1.804 -6.096 -3.995) 7.508 6.823 ( 1.377 3.198 -0.172) 3.486 7.014 ( -1.947 0.899 2.977) 3.669 7.109 ( -1.865 1.717 0.307) 2.553 7.836 ( 0.607 -5.537 -6.248) 8.370 7.928 ( 2.257 -1.631 -2.671) 3.859 8.068 ( 3.234 0.420 -0.630) 3.322 8.165 ( 4.627 -0.128 1.108) 4.759 8.367 ( -0.428 1.174 0.967) 1.580 8.441 ( 2.081 2.637 0.483) 3.394 8.596 ( 0.191 4.316 -0.745) 4.384 8.636 ( 1.247 -2.796 -1.554) 3.434 8.964 ( -0.672 3.244 3.201) 4.607 9.118 ( 0.515 -1.541 2.550) 3.023 9.180 ( -1.292 -0.623 1.307) 1.940 9.425 ( -4.150 1.749 1.816) 4.856 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 7.530 -14.410 -11.430) 19.874 1.210 ( 4.768 -15.221 -12.146) 20.049 1.955 ( 6.461 -14.335 -14.838) 21.620 2.032 ( 0.633 4.632 -0.429) 4.695 2.206 ( -1.520 -7.883 -1.219) 8.120 2.396 ( 0.257 3.646 4.265) 5.617 2.424 ( 2.825 -0.504 0.850) 2.993 2.508 ( 1.112 -4.642 -3.171) 5.731 2.612 ( -7.223 -0.130 -0.374) 7.234 2.814 ( 3.901 -0.844 0.227) 3.998 2.892 ( 1.301 1.717 -2.500) 3.300 3.064 ( 1.674 -1.968 3.997) 4.759 3.232 ( -1.690 0.207 0.080) 1.704 3.273 ( -1.807 5.078 5.684) 7.833 3.610 ( -0.751 3.900 2.836) 4.881 3.761 ( -1.355 1.185 -5.153) 5.459 3.841 ( 2.542 3.251 0.729) 4.191 4.008 ( -1.408 -1.322 -0.513) 1.998 5.706 ( -1.564 3.530 -0.305) 3.873 5.784 ( -3.310 -0.205 0.012) 3.316 5.856 ( -0.323 1.229 2.909) 3.174 6.006 ( -1.909 -0.575 3.534) 4.058 6.126 ( 0.729 -1.666 1.938) 2.657 6.189 ( -2.526 0.856 -1.233) 2.938 6.295 ( -0.364 -0.146 -2.959) 2.985 6.356 ( -2.176 -2.019 -3.993) 4.976 6.423 ( 3.172 -6.201 -4.377) 8.226 6.906 ( 0.914 5.448 2.439) 6.038 7.050 ( -3.094 0.987 0.836) 3.353 7.136 ( -0.443 2.206 -0.319) 2.272 7.675 ( -0.949 -7.024 -4.463) 8.376 7.861 ( 6.168 -3.604 -1.686) 7.340 8.033 ( 2.855 -4.979 -0.711) 5.784 8.148 ( 2.275 -3.189 0.182) 3.922 8.358 ( 0.406 0.404 0.921) 1.085 8.558 ( 0.802 5.997 2.416) 6.515 8.582 ( 1.268 -0.545 -1.903) 2.351 8.640 ( -0.851 7.431 -5.134) 9.072 9.058 ( 0.289 2.866 3.834) 4.796 9.132 ( 0.529 -1.443 2.397) 2.847 9.195 ( -1.369 -0.381 1.990) 2.445 9.474 ( -4.232 1.089 2.043) 4.824 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 12.156 -16.315 -9.523) 22.464 0.815 ( 8.489 -17.808 -12.007) 23.095 1.374 ( 14.247 -30.621 -17.597) 38.082 2.083 ( 0.561 1.905 0.092) 1.988 2.179 ( -2.703 2.199 0.694) 3.553 2.411 ( 1.295 -0.464 0.049) 1.376 2.438 ( 1.059 -0.619 -1.786) 2.167 2.459 ( 1.488 -2.989 1.318) 3.590 2.659 ( -7.501 4.142 1.758) 8.747 2.821 ( 3.704 -0.377 1.355) 3.962 2.867 ( 0.598 0.297 -2.331) 2.424 3.067 ( 1.200 -2.506 2.341) 3.633 3.291 ( -2.320 5.125 1.651) 5.864 3.432 ( -2.237 3.279 8.274) 9.177 3.660 ( 0.230 0.651 -1.412) 1.572 3.682 ( -0.995 0.102 -6.728) 6.802 3.876 ( 1.672 2.568 -0.198) 3.071 3.973 ( -0.396 -2.671 -0.732) 2.797 5.747 ( -1.775 2.988 -0.522) 3.515 5.776 ( -3.640 0.688 -1.013) 3.840 5.925 ( -1.591 1.790 3.108) 3.924 6.036 ( 0.429 -0.065 1.800) 1.852 6.118 ( 1.931 -4.252 1.441) 4.887 6.190 ( -3.299 2.191 -1.454) 4.219 6.260 ( 0.795 -2.965 2.790) 4.148 6.289 ( -0.735 0.272 -3.038) 3.137 6.333 ( 2.313 -2.075 -0.932) 3.244 7.011 ( -0.577 5.067 1.589) 5.342 7.073 ( -2.554 1.976 -0.033) 3.229 7.172 ( -1.351 3.512 0.358) 3.780 7.533 ( -1.345 -6.431 -2.606) 7.068 7.794 ( 9.765 -3.468 -0.699) 10.386 7.918 ( 2.685 -12.211 1.539) 12.597 8.105 ( 0.693 -1.660 -1.280) 2.207 8.394 ( 0.659 0.703 2.223) 2.422 8.559 ( 0.708 0.795 -1.655) 1.968 8.611 ( -0.725 9.648 -10.183) 14.046 8.697 ( -1.385 3.710 1.874) 4.381 9.118 ( 1.411 -2.207 3.207) 4.141 9.157 ( -0.097 2.726 0.703) 2.817 9.223 ( -0.849 0.035 2.211) 2.368 9.504 ( -4.218 0.294 1.039) 4.354 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 16.667 -16.667 0.000) 23.571 0.474 ( 17.073 -17.073 0.000) 24.145 0.797 ( 28.809 -28.809 0.000) 40.742 2.096 ( -0.493 0.493 -0.000) 0.697 2.231 ( -2.992 2.992 -0.000) 4.231 2.397 ( 0.668 -0.668 0.000) 0.944 2.421 ( 0.784 -0.784 0.000) 1.109 2.426 ( 2.183 -2.183 0.000) 3.087 2.725 ( -3.579 3.579 -0.000) 5.062 2.822 ( 1.740 -1.740 0.000) 2.461 2.851 ( -0.095 0.095 -0.000) 0.134 3.081 ( -1.157 1.157 -0.000) 1.636 3.371 ( -3.965 3.965 -0.000) 5.607 3.516 ( 4.161 -4.161 0.000) 5.884 3.626 ( 2.549 -2.549 0.000) 3.605 3.634 ( -6.230 6.230 -0.000) 8.811 3.908 ( -1.070 1.070 -0.000) 1.513 3.926 ( 2.605 -2.605 0.000) 3.684 5.766 ( -1.215 1.215 -0.000) 1.718 5.792 ( -2.188 2.188 -0.000) 3.094 5.965 ( -1.435 1.435 -0.000) 2.029 6.060 ( 3.396 -3.396 0.000) 4.802 6.062 ( -0.390 0.390 -0.000) 0.552 6.212 ( -2.061 2.061 -0.000) 2.914 6.273 ( -0.592 0.592 -0.000) 0.837 6.284 ( 0.434 -0.434 0.000) 0.614 6.333 ( 0.049 -0.049 0.000) 0.069 7.069 ( -2.623 2.623 -0.000) 3.710 7.103 ( -1.771 1.771 -0.000) 2.504 7.234 ( -3.783 3.783 -0.000) 5.350 7.453 ( 1.686 -1.686 0.000) 2.384 7.751 ( 6.177 -6.177 0.000) 8.736 7.765 ( 7.433 -7.433 0.000) 10.511 8.076 ( 1.163 -1.163 0.000) 1.644 8.417 ( 0.107 -0.107 0.000) 0.151 8.555 ( -0.291 0.291 -0.000) 0.412 8.596 ( -3.309 3.309 -0.000) 4.680 8.752 ( -1.793 1.793 -0.000) 2.536 9.109 ( 1.972 -1.972 0.000) 2.789 9.193 ( -1.171 1.171 -0.000) 1.656 9.245 ( -0.310 0.310 -0.000) 0.439 9.520 ( -1.671 1.671 -0.000) 2.364 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 6.434 6.434 11.519) 14.679 1.488 ( 6.920 6.920 15.087) 17.983 2.047 ( -0.077 -0.077 -3.162) 3.164 2.118 ( -1.318 -1.318 -0.854) 2.050 2.277 ( 0.344 0.344 3.891) 3.921 2.300 ( -1.714 -1.714 -6.447) 6.888 2.426 ( 4.026 4.026 1.410) 5.866 2.549 ( -1.026 -1.026 1.237) 1.906 2.634 ( 1.902 1.902 4.175) 4.967 2.899 ( -0.977 -0.977 -6.149) 6.302 2.973 ( 6.161 6.161 15.166) 17.491 2.998 ( 2.539 2.539 0.149) 3.594 3.088 ( 0.440 0.440 -5.958) 5.990 3.252 ( 1.158 1.158 2.267) 2.797 3.552 ( -3.229 -3.229 -2.537) 5.224 3.797 ( -1.998 -1.998 -3.751) 4.696 3.838 ( -0.481 -0.481 -4.966) 5.012 4.011 ( -1.656 -1.656 2.410) 3.361 5.728 ( -3.188 -3.188 -0.810) 4.580 5.802 ( -1.553 -1.553 1.439) 2.626 5.816 ( -2.349 -2.349 1.349) 3.586 5.913 ( -2.697 -2.697 -0.266) 3.823 6.169 ( 0.102 0.102 3.017) 3.021 6.238 ( -2.535 -2.535 1.545) 3.904 6.323 ( -0.847 -0.847 0.696) 1.386 6.433 ( -1.449 -1.449 2.819) 3.485 6.565 ( 3.120 3.120 7.094) 8.354 6.891 ( -0.650 -0.650 -4.478) 4.571 6.975 ( -2.176 -2.176 0.469) 3.113 7.082 ( -1.316 -1.316 -4.048) 4.455 7.827 ( 4.371 4.371 7.860) 9.999 7.976 ( 2.916 2.916 4.290) 5.951 8.058 ( 1.081 1.081 -3.699) 4.002 8.078 ( 6.588 6.588 0.576) 9.335 8.359 ( 0.884 0.884 0.022) 1.250 8.377 ( 2.675 2.675 -9.042) 9.801 8.589 ( 0.685 0.685 -0.023) 0.969 8.855 ( -3.340 -3.340 -0.164) 4.726 8.932 ( -2.353 -2.353 -1.835) 3.799 9.116 ( -0.042 -0.042 0.078) 0.098 9.139 ( 0.234 0.234 -0.186) 0.380 9.384 ( -3.653 -3.653 -2.141) 5.592 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 3.045 3.126 4.806) 6.492 1.738 ( 3.530 2.754 8.930) 9.989 1.989 ( 2.147 -0.615 -2.244) 3.166 2.065 ( 1.493 -3.669 -3.236) 5.115 2.205 ( -0.946 0.601 -3.470) 3.647 2.290 ( -0.906 -0.996 0.610) 1.479 2.495 ( -0.847 3.083 1.175) 3.406 2.563 ( -2.786 -0.140 0.975) 2.955 2.701 ( 3.876 3.105 1.021) 5.070 2.813 ( 0.227 0.354 -3.779) 3.803 3.012 ( 3.624 1.255 -3.262) 5.035 3.047 ( 1.270 3.155 -2.002) 3.946 3.302 ( 2.415 2.959 8.121) 8.974 3.311 ( 2.477 4.317 10.266) 11.409 3.477 ( -1.845 -2.648 -1.135) 3.421 3.632 ( 2.502 -9.258 -7.649) 12.267 3.784 ( -4.407 3.007 -5.910) 7.962 4.016 ( -2.056 -1.543 1.443) 2.948 5.678 ( -2.260 -2.887 -0.140) 3.669 5.786 ( -0.797 -2.013 -0.149) 2.170 5.806 ( -1.896 -2.321 2.398) 3.838 5.899 ( -5.496 -1.981 2.503) 6.356 6.179 ( 0.528 -2.961 1.091) 3.200 6.213 ( -0.761 -1.681 0.242) 1.861 6.333 ( -4.003 0.834 -0.527) 4.123 6.432 ( -3.097 -2.388 0.943) 4.023 6.671 ( 2.719 0.795 3.987) 4.891 6.855 ( -0.263 1.634 -2.478) 2.980 6.952 ( 1.163 -2.842 0.862) 3.190 7.026 ( -4.707 0.556 -1.633) 5.013 7.952 ( 4.143 2.672 -0.234) 4.936 8.015 ( 0.925 1.792 -4.647) 5.066 8.074 ( 3.333 2.519 3.823) 5.663 8.116 ( 3.053 3.646 -1.419) 4.963 8.326 ( 6.290 0.938 -2.022) 6.673 8.403 ( 1.096 6.633 -2.520) 7.180 8.593 ( 2.659 -0.709 0.375) 2.778 8.800 ( -2.467 -3.508 -0.268) 4.297 8.878 ( -1.777 -3.016 0.009) 3.501 9.129 ( 1.006 -0.438 2.237) 2.492 9.155 ( -0.117 0.212 1.467) 1.486 9.319 ( -6.253 -1.461 -1.481) 6.590 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 3.907 -6.061 -4.619) 8.564 1.717 ( 2.429 -7.650 -4.645) 9.274 1.950 ( 3.351 0.515 -2.309) 4.102 2.089 ( 1.858 2.947 4.365) 5.585 2.195 ( -0.329 2.992 -1.282) 3.271 2.305 ( -1.741 -0.159 2.886) 3.374 2.524 ( -2.077 -0.226 -0.294) 2.110 2.560 ( -3.567 -0.445 -0.235) 3.602 2.742 ( 4.756 0.156 0.939) 4.850 2.834 ( 1.862 4.073 1.435) 4.702 2.985 ( 2.974 1.902 -3.976) 5.317 3.069 ( 1.409 2.498 -1.046) 3.053 3.253 ( 2.684 -9.357 -7.558) 12.324 3.352 ( 0.892 -7.145 -0.394) 7.211 3.451 ( -1.931 1.025 0.842) 2.343 3.637 ( 2.657 6.330 8.628) 11.026 3.756 ( -3.750 4.113 -4.701) 7.285 4.010 ( -2.122 -1.127 0.367) 2.430 5.650 ( -1.908 -1.269 0.157) 2.296 5.759 ( -2.611 -1.512 -0.243) 3.027 5.815 ( -1.420 -1.469 2.500) 3.229 5.920 ( -4.917 -1.080 3.754) 6.280 6.149 ( 0.366 -2.293 0.717) 2.430 6.192 ( -1.770 -1.066 -1.239) 2.409 6.315 ( -2.588 -0.128 -2.394) 3.528 6.399 ( -4.313 -2.277 -1.080) 4.996 6.684 ( 3.239 -4.153 -0.069) 5.267 6.823 ( 2.089 0.950 -1.594) 2.794 6.972 ( -1.861 1.324 1.822) 2.922 7.046 ( -3.191 1.859 1.385) 3.944 7.901 ( 1.519 -1.279 -7.133) 7.404 7.951 ( 0.587 -0.088 -3.463) 3.514 8.126 ( 5.716 1.553 -0.660) 5.960 8.205 ( 4.742 3.787 3.320) 6.917 8.346 ( 2.066 2.028 0.911) 3.035 8.426 ( 3.187 5.578 -5.090) 8.196 8.584 ( 2.874 -0.890 0.018) 3.009 8.741 ( 0.256 -7.130 1.690) 7.332 8.889 ( -2.186 3.626 1.247) 4.414 9.153 ( 0.096 -2.140 2.721) 3.463 9.167 ( -0.885 -0.449 1.467) 1.771 9.325 ( -6.322 1.913 1.617) 6.800 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 7.753 -11.641 -7.416) 15.831 1.480 ( 6.346 -12.752 -8.421) 16.547 1.969 ( 0.152 4.775 -1.582) 5.033 2.094 ( 2.812 -1.056 -2.710) 4.045 2.295 ( -2.173 4.733 3.464) 6.255 2.324 ( -1.133 -3.316 1.845) 3.960 2.506 ( 2.093 -1.606 -0.176) 2.644 2.539 ( -3.168 -1.371 -1.186) 3.650 2.668 ( 6.090 -11.223 -4.302) 13.474 2.881 ( 3.924 0.004 -2.091) 4.446 2.906 ( 2.561 -1.898 -1.611) 3.571 3.076 ( 1.191 2.374 1.342) 2.976 3.156 ( -3.335 5.129 0.421) 6.132 3.263 ( 0.478 -5.802 -0.221) 5.826 3.533 ( -1.350 5.300 2.579) 6.047 3.708 ( -4.044 2.517 -3.913) 6.165 3.829 ( 2.932 4.083 3.182) 5.949 3.995 ( -2.241 -0.904 -0.456) 2.459 5.648 ( -2.230 0.891 -0.090) 2.403 5.736 ( -4.865 -1.059 -0.712) 5.029 5.837 ( -0.268 0.442 1.995) 2.061 5.971 ( -3.825 0.105 4.429) 5.853 6.142 ( -2.129 -1.744 0.569) 2.811 6.153 ( -1.450 -0.433 -1.059) 1.847 6.285 ( -0.774 0.297 -1.879) 2.054 6.342 ( -3.438 -1.717 -3.142) 4.964 6.576 ( 5.031 -7.411 -2.146) 9.211 6.868 ( 2.232 3.509 2.325) 4.764 6.999 ( -2.876 0.339 0.671) 2.973 7.090 ( -1.381 2.762 -0.348) 3.107 7.762 ( 0.669 -5.625 -5.509) 7.902 7.935 ( 0.147 0.305 0.387) 0.514 8.116 ( 7.265 0.698 -2.653) 7.766 8.250 ( 4.425 -1.782 -0.790) 4.835 8.348 ( 1.651 2.479 -0.686) 3.057 8.498 ( 2.351 5.915 0.743) 6.408 8.562 ( 0.408 0.427 -1.877) 1.968 8.664 ( 1.818 -6.231 0.816) 6.542 8.981 ( -1.410 6.518 1.118) 6.762 9.149 ( -3.649 -1.189 1.099) 3.992 9.194 ( 1.356 -1.377 3.678) 4.155 9.384 ( -5.452 1.823 2.413) 6.235 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 11.962 -14.102 -5.698) 19.350 1.172 ( 10.206 -15.378 -7.605) 19.962 1.924 ( 10.993 -14.376 -7.266) 19.501 2.053 ( 3.564 3.572 -0.421) 5.064 2.168 ( -1.165 -9.359 -1.201) 9.507 2.416 ( -1.548 5.583 0.420) 5.809 2.465 ( 0.748 -0.597 -0.956) 1.352 2.505 ( -1.557 -1.492 0.319) 2.180 2.535 ( 0.522 -4.051 0.778) 4.158 2.870 ( 2.555 -0.492 0.740) 2.705 2.883 ( 1.524 -0.227 -1.258) 1.989 3.138 ( 2.362 -1.728 1.938) 3.510 3.195 ( -2.604 2.578 -0.746) 3.740 3.294 ( -5.001 6.789 4.120) 9.385 3.628 ( -0.425 4.329 0.198) 4.355 3.676 ( -2.550 -0.193 -2.420) 3.521 3.877 ( 2.206 1.140 -0.549) 2.543 3.980 ( -1.498 -0.649 -0.109) 1.636 5.670 ( -2.809 2.766 -0.386) 3.961 5.715 ( -4.723 -0.078 -0.833) 4.796 5.880 ( -0.578 2.280 1.246) 2.661 6.031 ( -2.302 -0.054 3.672) 4.334 6.106 ( -3.908 1.051 -2.396) 4.703 6.174 ( -0.009 -1.132 3.082) 3.283 6.267 ( -0.622 0.622 -2.011) 2.195 6.282 ( -1.376 -0.736 -2.497) 2.945 6.457 ( 6.323 -6.953 -0.302) 9.403 6.955 ( 1.122 3.731 2.218) 4.484 7.011 ( -3.029 1.075 0.368) 3.235 7.112 ( -1.436 2.582 -1.253) 3.209 7.617 ( 0.855 -6.265 -3.246) 7.108 7.950 ( 4.058 -1.957 2.547) 5.175 8.083 ( 5.830 -1.203 -1.368) 6.108 8.163 ( 1.929 -7.072 -1.533) 7.489 8.400 ( 2.934 2.362 1.652) 4.112 8.497 ( 0.145 3.837 -6.098) 7.207 8.595 ( 1.682 -2.804 -0.901) 3.392 8.626 ( -1.369 3.645 2.086) 4.417 9.078 ( -0.924 5.992 0.397) 6.075 9.152 ( -3.357 -0.716 0.949) 3.561 9.224 ( 1.512 -1.093 3.035) 3.563 9.429 ( -4.918 1.107 1.260) 5.196 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 15.258 -15.258 0.000) 21.578 0.914 ( 15.132 -15.132 0.000) 21.400 1.542 ( 25.510 -25.510 0.000) 36.077 2.091 ( 0.235 -0.235 0.000) 0.333 2.135 ( -3.576 3.576 -0.000) 5.057 2.436 ( 1.402 -1.402 0.000) 1.983 2.441 ( 1.482 -1.482 0.000) 2.096 2.497 ( 2.744 -2.744 0.000) 3.880 2.565 ( -7.439 7.439 -0.000) 10.520 2.861 ( 0.825 -0.825 0.000) 1.166 2.870 ( 1.561 -1.561 0.000) 2.208 3.104 ( 2.553 -2.553 0.000) 3.610 3.256 ( -4.301 4.301 -0.000) 6.083 3.436 ( -7.532 7.532 -0.000) 10.652 3.615 ( 1.785 -1.785 0.000) 2.525 3.672 ( 0.413 -0.413 0.000) 0.584 3.881 ( -0.506 0.506 -0.000) 0.716 3.970 ( 0.637 -0.637 0.000) 0.901 5.711 ( -3.392 3.392 -0.000) 4.797 5.720 ( -2.079 2.079 -0.000) 2.940 5.919 ( -1.864 1.864 -0.000) 2.636 6.053 ( -0.087 0.087 -0.000) 0.123 6.128 ( -3.903 3.903 -0.000) 5.519 6.164 ( 3.249 -3.249 0.000) 4.595 6.255 ( -0.678 0.678 -0.000) 0.959 6.274 ( -1.052 1.052 -0.000) 1.488 6.384 ( 4.267 -4.267 0.000) 6.034 7.003 ( -1.823 1.823 -0.000) 2.578 7.046 ( -2.314 2.314 -0.000) 3.272 7.140 ( -2.932 2.932 -0.000) 4.147 7.525 ( 3.405 -3.405 0.000) 4.815 7.926 ( 5.841 -5.841 0.000) 8.260 8.000 ( 9.202 -9.202 0.000) 13.014 8.094 ( -0.064 0.064 -0.000) 0.090 8.430 ( 0.937 -0.937 0.000) 1.325 8.495 ( -3.592 3.592 -0.000) 5.079 8.557 ( 0.836 -0.836 0.000) 1.183 8.688 ( -2.708 2.708 -0.000) 3.829 9.144 ( -2.542 2.542 -0.000) 3.594 9.151 ( 0.235 -0.235 0.000) 0.332 9.238 ( 0.310 -0.310 0.000) 0.439 9.458 ( -2.647 2.647 -0.000) 3.743 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.526 0.526 -0.335) 0.815 1.777 ( -1.811 -1.811 -3.345) 4.213 2.039 ( 1.520 1.520 0.922) 2.339 2.041 ( 0.133 0.133 -3.918) 3.923 2.163 ( 2.790 2.790 0.500) 3.977 2.287 ( -1.328 -1.328 1.412) 2.350 2.516 ( -0.225 -0.225 3.097) 3.113 2.526 ( -2.464 -2.464 -0.030) 3.484 2.786 ( 4.792 4.792 1.578) 6.958 2.807 ( 2.706 2.706 -0.388) 3.847 2.991 ( 2.357 2.357 -4.049) 5.244 3.052 ( 1.534 1.534 -1.575) 2.680 3.344 ( 1.462 1.462 0.641) 2.164 3.386 ( -3.318 -3.318 -1.049) 4.809 3.546 ( -4.208 -4.208 -6.555) 8.854 3.560 ( 1.182 1.182 1.428) 2.198 3.667 ( 2.569 2.569 2.524) 4.423 4.003 ( -1.692 -1.692 0.445) 2.433 5.647 ( -2.389 -2.389 0.274) 3.389 5.749 ( -2.246 -2.246 -1.843) 3.672 5.822 ( -1.867 -1.867 3.480) 4.368 5.887 ( -3.381 -3.381 4.275) 6.414 6.173 ( -1.045 -1.045 -1.384) 2.024 6.186 ( -2.089 -2.089 -0.994) 3.117 6.293 ( -1.717 -1.717 0.028) 2.429 6.383 ( -3.430 -3.430 -1.113) 4.976 6.750 ( 1.217 1.217 3.081) 3.529 6.831 ( 0.671 0.671 -2.419) 2.599 6.943 ( -0.377 -0.377 -0.190) 0.567 7.004 ( -0.807 -0.807 2.662) 2.897 7.917 ( 1.463 1.463 -7.353) 7.639 7.956 ( 0.757 0.757 -5.431) 5.535 8.157 ( 3.026 3.026 1.650) 4.586 8.205 ( 3.993 3.993 3.973) 6.904 8.359 ( 1.965 1.965 -1.317) 3.075 8.400 ( 5.748 5.748 -4.700) 9.389 8.640 ( 1.496 1.496 1.444) 2.562 8.757 ( -0.745 -0.745 -1.223) 1.615 8.869 ( -2.848 -2.848 2.907) 4.967 9.150 ( -1.823 -1.823 -0.779) 2.693 9.200 ( 0.181 0.181 3.818) 3.826 9.239 ( -2.792 -2.792 2.211) 4.525 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 4.388 -6.584 -4.318) 9.014 1.681 ( 1.789 -5.137 -4.571) 7.105 1.940 ( 2.399 -0.833 -4.539) 5.201 2.065 ( -4.871 4.961 -3.991) 8.016 2.236 ( 2.694 -0.001 3.383) 4.325 2.317 ( -2.742 1.156 3.062) 4.270 2.516 ( 0.269 -0.908 1.871) 2.097 2.556 ( 0.227 -0.476 2.500) 2.555 2.821 ( 4.761 -1.046 1.102) 4.998 2.883 ( 1.286 4.060 1.307) 4.455 2.976 ( 3.359 2.370 -3.293) 5.267 3.045 ( -1.298 2.473 -2.562) 3.791 3.207 ( 6.606 -11.243 -7.481) 15.033 3.373 ( 1.296 -6.350 0.502) 6.500 3.426 ( -3.014 5.426 -0.606) 6.237 3.567 ( -9.131 3.979 -3.240) 10.474 3.816 ( 3.619 4.157 5.644) 7.889 3.982 ( -1.742 -1.295 -0.480) 2.223 5.623 ( -2.142 -1.463 0.186) 2.600 5.692 ( -4.222 -2.171 -1.693) 5.040 5.844 ( -0.081 -1.487 2.773) 3.148 5.913 ( -4.046 -0.343 3.170) 5.151 6.136 ( -1.727 -1.925 -1.406) 2.944 6.148 ( -1.694 -1.194 0.131) 2.077 6.272 ( -1.207 -0.621 -0.866) 1.610 6.319 ( -3.148 -2.014 -2.631) 4.570 6.740 ( 5.152 -5.668 0.248) 7.663 6.844 ( -0.570 3.268 1.325) 3.572 6.971 ( 0.138 0.739 1.295) 1.498 7.031 ( -1.772 1.858 0.542) 2.624 7.834 ( 1.575 -2.390 -5.048) 5.803 7.901 ( -1.766 1.346 -2.824) 3.592 8.186 ( 5.403 2.392 -2.310) 6.344 8.267 ( 1.642 3.143 -3.057) 4.682 8.378 ( 4.799 0.865 1.409) 5.075 8.445 ( 1.705 5.543 1.023) 5.888 8.636 ( 5.536 -3.339 -0.266) 6.470 8.758 ( -0.966 -1.399 1.019) 1.982 8.882 ( -1.083 1.510 1.333) 2.286 9.087 ( -6.756 -1.657 -2.082) 7.261 9.239 ( 1.868 -1.512 4.223) 4.859 9.297 ( -3.233 1.766 3.619) 5.164 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 8.574 -10.031 -3.554) 13.666 1.492 ( 8.732 -11.724 -4.827) 15.395 1.924 ( -2.217 3.957 -2.123) 5.008 2.082 ( -2.283 3.572 -2.041) 4.705 2.277 ( -2.064 2.833 1.100) 3.674 2.354 ( -0.315 -2.989 2.801) 4.109 2.491 ( 2.734 -4.307 -1.682) 5.372 2.582 ( 2.559 -0.859 2.243) 3.509 2.727 ( 10.362 -12.569 -3.035) 16.570 2.905 ( 2.274 0.073 -0.587) 2.350 2.921 ( 2.438 -2.836 -1.349) 3.976 3.080 ( -4.518 5.607 0.629) 7.228 3.099 ( -1.486 3.795 -1.237) 4.259 3.303 ( 3.622 -5.660 1.536) 6.893 3.515 ( -4.133 8.886 -2.422) 10.095 3.591 ( -6.848 2.460 0.418) 7.288 3.897 ( 2.436 0.854 0.965) 2.755 3.964 ( -1.434 -0.235 -0.016) 1.453 5.614 ( -2.163 0.265 -0.261) 2.195 5.654 ( -4.391 -0.438 -0.928) 4.509 5.858 ( 0.155 0.250 0.854) 0.904 5.959 ( -4.485 2.071 1.756) 5.243 6.090 ( -0.881 -2.434 -0.413) 2.621 6.163 ( -1.735 0.465 2.221) 2.856 6.252 ( -0.624 0.154 -1.819) 1.929 6.266 ( -1.613 -0.351 -2.352) 2.873 6.654 ( 6.980 -7.408 0.469) 10.189 6.918 ( -0.869 3.562 2.130) 4.240 6.980 ( -0.011 -0.388 0.387) 0.548 7.060 ( -1.399 2.396 -1.083) 2.979 7.718 ( 2.302 -5.243 -3.355) 6.637 7.926 ( -3.668 2.845 1.378) 4.842 8.169 ( 5.300 0.282 -3.206) 6.201 8.240 ( 1.402 1.130 -2.923) 3.433 8.429 ( 4.848 1.115 2.720) 5.670 8.514 ( 1.893 0.243 -0.648) 2.016 8.581 ( 2.452 -1.214 0.497) 2.781 8.702 ( 2.726 -6.992 0.388) 7.515 8.959 ( -2.299 7.865 -0.599) 8.216 9.070 ( -7.837 0.867 -0.143) 7.886 9.270 ( 1.987 -1.304 2.807) 3.678 9.357 ( -3.046 1.250 1.947) 3.825 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 13.033 -13.033 0.000) 18.431 1.283 ( 11.902 -11.902 0.000) 16.832 1.954 ( -1.229 1.229 -0.000) 1.739 2.100 ( -0.370 0.370 -0.000) 0.523 2.231 ( 14.871 -14.871 0.000) 21.030 2.354 ( -6.771 6.771 -0.000) 9.576 2.435 ( -0.178 0.178 -0.000) 0.251 2.559 ( 7.418 -7.418 0.000) 10.490 2.575 ( 2.553 -2.553 0.000) 3.610 2.891 ( 1.315 -1.315 0.000) 1.859 2.900 ( 0.770 -0.770 0.000) 1.089 3.146 ( -3.687 3.687 -0.000) 5.214 3.158 ( -2.588 2.588 -0.000) 3.660 3.273 ( -0.380 0.380 -0.000) 0.537 3.586 ( -4.434 4.434 -0.000) 6.271 3.637 ( -2.890 2.890 -0.000) 4.087 3.891 ( 1.052 -1.052 0.000) 1.487 3.969 ( -0.407 0.407 -0.000) 0.575 5.629 ( -2.355 2.355 -0.000) 3.330 5.660 ( -2.231 2.231 -0.000) 3.155 5.875 ( -1.164 1.164 -0.000) 1.646 6.015 ( -4.170 4.170 -0.000) 5.897 6.063 ( 0.869 -0.869 0.000) 1.229 6.196 ( -0.758 0.758 -0.000) 1.072 6.239 ( -0.469 0.469 -0.000) 0.663 6.249 ( -0.562 0.562 -0.000) 0.794 6.555 ( 7.545 -7.545 0.000) 10.670 6.980 ( 0.047 -0.047 0.000) 0.066 6.980 ( -2.599 2.599 -0.000) 3.676 7.075 ( -1.886 1.886 -0.000) 2.667 7.627 ( 4.034 -4.034 0.000) 5.704 7.983 ( -2.410 2.410 -0.000) 3.408 8.122 ( 2.812 -2.812 0.000) 3.976 8.208 ( 4.328 -4.328 0.000) 6.121 8.452 ( 2.108 -2.108 0.000) 2.980 8.461 ( 1.182 -1.182 0.000) 1.672 8.616 ( -2.380 2.380 -0.000) 3.366 8.622 ( 4.086 -4.086 0.000) 5.778 9.048 ( -4.676 4.676 -0.000) 6.613 9.098 ( -3.696 3.696 -0.000) 5.227 9.271 ( 1.634 -1.634 0.000) 2.311 9.390 ( -2.195 2.195 -0.000) 3.104 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -0.483 -0.483 -2.495) 2.587 1.634 ( -0.641 -0.641 -2.396) 2.562 1.922 ( 0.182 0.182 -3.404) 3.414 1.931 ( -0.462 -0.462 -3.861) 3.916 2.305 ( -0.006 -0.006 1.918) 1.918 2.310 ( -0.533 -0.533 1.491) 1.671 2.575 ( 1.082 1.082 2.865) 3.248 2.591 ( -0.055 -0.055 1.871) 1.872 2.891 ( 0.756 0.756 1.219) 1.621 2.895 ( 0.469 0.469 0.775) 1.020 2.985 ( 2.171 2.171 -1.897) 3.609 2.993 ( 1.018 1.018 -2.850) 3.193 3.232 ( -0.718 -0.718 -3.722) 3.858 3.251 ( -1.250 -1.250 -5.117) 5.413 3.446 ( -0.316 -0.316 2.187) 2.232 3.466 ( -1.385 -1.385 0.349) 1.989 3.911 ( 2.016 2.016 2.473) 3.775 3.954 ( -1.030 -1.030 -0.728) 1.628 5.602 ( -1.191 -1.191 0.092) 1.686 5.622 ( -2.450 -2.450 -1.314) 3.706 5.876 ( -0.216 -0.216 1.500) 1.531 5.893 ( -1.303 -1.303 0.393) 1.884 6.122 ( -0.829 -0.829 0.848) 1.447 6.127 ( -1.367 -1.367 0.994) 2.174 6.247 ( -0.313 -0.313 -1.308) 1.381 6.256 ( -0.956 -0.956 -2.275) 2.647 6.818 ( 0.356 0.356 0.967) 1.090 6.825 ( -0.060 -0.060 1.086) 1.089 7.005 ( 0.980 0.980 0.688) 1.548 7.015 ( 0.141 0.141 -0.288) 0.351 7.817 ( -0.219 -0.219 -1.281) 1.318 7.829 ( -1.073 -1.073 -2.120) 2.608 8.206 ( 2.591 2.591 -2.278) 4.315 8.228 ( 1.240 1.240 -3.913) 4.288 8.471 ( 2.470 2.470 2.720) 4.427 8.486 ( 1.671 1.671 1.910) 3.038 8.716 ( 1.611 1.611 0.796) 2.414 8.737 ( 0.725 0.725 -0.756) 1.274 8.896 ( -0.767 -0.767 1.488) 1.841 8.960 ( -4.341 -4.341 -2.896) 6.788 9.308 ( 0.150 0.150 2.620) 2.629 9.313 ( -0.208 -0.208 2.308) 2.326 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 7.066 -7.066 0.000) 9.993 1.574 ( 6.996 -6.996 0.000) 9.894 1.876 ( -1.402 1.402 -0.000) 1.982 1.989 ( -7.185 7.185 -0.000) 10.160 2.287 ( 1.546 -1.546 0.000) 2.186 2.352 ( -2.246 2.246 -0.000) 3.177 2.550 ( 5.245 -5.245 0.000) 7.417 2.619 ( 0.104 -0.104 0.000) 0.147 2.848 ( 7.261 -7.261 0.000) 10.268 2.921 ( 0.109 -0.109 0.000) 0.154 2.950 ( 4.654 -4.654 0.000) 6.582 3.012 ( -4.113 4.113 -0.000) 5.817 3.090 ( 2.490 -2.490 0.000) 3.522 3.354 ( -6.459 6.459 -0.000) 9.134 3.398 ( 0.690 -0.690 0.000) 0.976 3.529 ( -4.808 4.808 -0.000) 6.799 3.924 ( 1.247 -1.247 0.000) 1.764 3.953 ( -0.823 0.823 -0.000) 1.164 5.592 ( -0.334 0.334 -0.000) 0.472 5.608 ( -1.410 1.410 -0.000) 1.995 5.867 ( 0.721 -0.721 0.000) 1.020 5.916 ( -2.861 2.861 -0.000) 4.047 6.100 ( 1.781 -1.781 0.000) 2.519 6.153 ( -1.986 1.986 -0.000) 2.809 6.232 ( -0.005 0.005 -0.000) 0.007 6.237 ( -0.357 0.357 -0.000) 0.504 6.751 ( 6.442 -6.442 0.000) 9.111 6.893 ( -4.066 4.066 -0.000) 5.750 6.998 ( 1.128 -1.128 0.000) 1.595 7.033 ( -1.360 1.360 -0.000) 1.923 7.743 ( 4.569 -4.569 0.000) 6.461 7.873 ( -4.848 4.848 -0.000) 6.855 8.187 ( 1.754 -1.754 0.000) 2.481 8.226 ( -1.128 1.128 -0.000) 1.596 8.493 ( 1.263 -1.263 0.000) 1.786 8.529 ( -0.927 0.927 -0.000) 1.312 8.646 ( 6.859 -6.859 0.000) 9.701 8.752 ( 3.570 -3.570 0.000) 5.049 8.903 ( -4.449 4.449 -0.000) 6.292 8.970 ( -5.426 5.426 -0.000) 7.674 9.311 ( 1.259 -1.259 0.000) 1.780 9.344 ( -1.288 1.288 -0.000) 1.821 ======================= Grid point 95 (26/75) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 11.741 11.741 12.193) 20.601 1.126 ( 11.767 11.767 12.763) 20.971 1.880 ( 16.314 16.314 20.790) 31.057 2.092 ( 0.437 0.437 -0.334) 0.702 2.129 ( -2.284 -2.284 -0.207) 3.236 2.423 ( 1.980 1.980 -0.671) 2.879 2.455 ( 0.984 0.984 -3.956) 4.194 2.493 ( 1.433 1.433 3.483) 4.030 2.536 ( -5.369 -5.369 -0.750) 7.631 2.838 ( 1.903 1.903 -1.105) 2.909 2.912 ( -0.106 -0.106 3.086) 3.090 3.065 ( 3.621 3.621 -3.112) 5.992 3.219 ( -2.729 -2.729 -3.140) 4.975 3.296 ( -3.151 -3.151 -5.412) 7.010 3.632 ( -1.931 -1.931 -2.795) 3.908 3.760 ( -1.506 -1.506 5.884) 6.258 3.898 ( 0.100 0.100 0.212) 0.255 3.973 ( -0.266 -0.266 0.210) 0.431 5.730 ( -3.709 -3.709 0.994) 5.338 5.744 ( -2.096 -2.096 1.759) 3.446 5.864 ( -0.532 -0.532 -4.020) 4.090 5.986 ( -1.128 -1.128 -3.672) 4.004 6.121 ( 1.483 1.483 -0.945) 2.300 6.172 ( -3.095 -3.095 2.721) 5.155 6.285 ( 1.123 1.123 1.759) 2.370 6.330 ( -0.937 -0.937 4.203) 4.407 6.404 ( 4.382 4.382 3.583) 7.158 6.986 ( -2.290 -2.290 -0.848) 3.347 7.000 ( -2.655 -2.655 -3.065) 4.847 7.150 ( -1.440 -1.440 -0.456) 2.087 7.615 ( 3.748 3.748 6.352) 8.273 7.893 ( 3.836 3.836 0.167) 5.428 8.008 ( 9.026 9.026 2.188) 12.951 8.133 ( 1.772 1.772 0.060) 2.507 8.365 ( 0.279 0.279 -2.038) 2.075 8.585 ( 1.006 1.006 0.751) 1.609 8.603 ( -1.887 -1.887 -5.484) 6.099 8.714 ( -6.460 -6.460 8.715) 12.626 9.082 ( 1.784 1.784 -5.763) 6.291 9.133 ( -1.704 -1.704 -0.786) 2.534 9.176 ( -0.498 -0.498 -2.369) 2.471 9.436 ( -3.140 -3.140 -1.537) 4.699 ======================= Grid point 96 (27/75) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 8.674 9.446 11.849) 17.460 1.446 ( 6.608 11.062 10.420) 16.571 2.046 ( 2.220 -4.336 -0.468) 4.894 2.112 ( -1.876 0.381 1.132) 2.224 2.244 ( 1.368 4.695 3.258) 5.876 2.334 ( 0.163 -5.270 -5.049) 7.300 2.476 ( 2.455 4.005 0.580) 4.734 2.525 ( -3.538 1.230 0.857) 3.843 2.624 ( 3.927 7.011 6.655) 10.434 2.899 ( 4.903 5.047 7.211) 10.075 2.918 ( -0.198 -2.166 -1.085) 2.431 3.053 ( 3.760 1.496 -2.625) 4.823 3.159 ( -1.801 0.249 -3.869) 4.275 3.238 ( -0.965 0.103 1.419) 1.719 3.546 ( -2.150 -3.780 -3.526) 5.599 3.780 ( -0.558 -3.399 -0.149) 3.447 3.865 ( 1.181 -3.043 -0.513) 3.304 3.978 ( -3.381 0.588 -0.051) 3.432 5.686 ( -2.079 -3.543 0.394) 4.126 5.750 ( -2.622 -1.196 1.492) 3.245 5.810 ( -1.092 -0.451 -2.480) 2.747 5.921 ( -3.207 -0.902 -3.443) 4.791 6.132 ( 0.919 -0.633 1.110) 1.574 6.181 ( -2.304 -0.813 2.286) 3.346 6.315 ( -2.003 0.599 1.646) 2.661 6.372 ( -2.370 -0.701 3.193) 4.038 6.537 ( 3.796 5.365 5.091) 8.313 6.897 ( 1.502 -4.185 -1.652) 4.743 6.975 ( -3.811 0.603 -1.920) 4.310 7.108 ( -1.893 -1.940 -2.438) 3.646 7.781 ( 3.026 5.403 8.103) 10.199 7.946 ( 2.425 1.225 3.134) 4.147 8.120 ( 6.102 1.963 -0.579) 6.436 8.177 ( 4.542 7.297 -0.866) 8.639 8.361 ( 0.336 0.482 0.634) 0.865 8.492 ( 0.895 -1.205 -6.049) 6.232 8.605 ( 1.648 1.430 -0.536) 2.247 8.711 ( -2.866 -8.182 6.102) 10.602 8.999 ( 0.882 -1.417 -6.222) 6.442 9.108 ( -0.624 -0.262 -0.657) 0.944 9.153 ( -0.991 0.500 -1.208) 1.641 9.374 ( -5.696 -2.079 -2.363) 6.508 ======================= Grid point 97 (28/75) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 5.142 4.813 5.943) 9.215 1.687 ( 3.156 6.277 6.209) 9.376 1.991 ( 3.854 -2.047 0.042) 4.364 2.069 ( 1.455 -3.508 -4.772) 6.099 2.229 ( 0.336 -0.619 -0.171) 0.725 2.277 ( -0.960 -0.672 -1.047) 1.571 2.525 ( -2.125 2.114 0.627) 3.062 2.546 ( -6.297 0.125 0.353) 6.308 2.729 ( 5.322 2.157 0.733) 5.789 2.847 ( 1.004 -1.959 -2.717) 3.497 3.044 ( 2.920 0.132 1.083) 3.118 3.092 ( 2.352 0.136 -0.257) 2.370 3.232 ( 3.866 10.180 10.547) 15.160 3.292 ( -0.883 2.716 1.763) 3.356 3.460 ( -1.194 -2.118 -1.080) 2.660 3.620 ( 3.503 -8.761 -8.805) 12.905 3.851 ( -2.169 -0.904 1.004) 2.556 3.982 ( -3.886 0.266 -0.181) 3.899 5.654 ( -1.117 -1.341 0.020) 1.746 5.748 ( -0.873 -0.564 0.321) 1.087 5.787 ( -1.783 -0.198 -0.552) 1.877 5.879 ( -5.828 -0.252 -1.308) 5.978 6.132 ( 1.615 -0.773 0.592) 1.885 6.198 ( -1.117 -0.030 0.681) 1.308 6.352 ( -4.625 0.946 1.622) 4.992 6.389 ( -3.375 -0.745 0.655) 3.518 6.651 ( 2.927 2.648 2.200) 4.519 6.862 ( 1.051 -0.785 2.006) 2.397 6.945 ( -0.926 -0.392 -2.996) 3.160 7.046 ( -4.482 -1.292 -1.975) 5.066 7.956 ( 3.264 4.428 6.041) 8.171 8.003 ( 2.286 -0.858 3.648) 4.390 8.116 ( 4.228 1.963 -1.709) 4.965 8.190 ( 2.491 -0.894 -4.494) 5.215 8.346 ( 3.407 -0.793 -1.466) 3.793 8.504 ( 3.278 5.340 2.442) 6.725 8.593 ( 2.515 -1.333 -2.314) 3.668 8.680 ( -0.725 -4.363 2.766) 5.217 8.906 ( -1.090 -1.414 -3.165) 3.634 9.104 ( 0.407 0.252 -0.262) 0.546 9.152 ( -1.017 0.438 -0.136) 1.116 9.323 ( -7.394 -1.022 -1.448) 7.603 ======================= Grid point 102 (29/75) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 21.781 -0.000 0.000) 21.781 0.646 ( 22.595 -0.000 0.000) 22.595 1.142 ( 39.308 -0.000 0.000) 39.308 2.080 ( -2.258 0.000 -0.000) 2.258 2.206 ( -3.059 0.000 -0.000) 3.059 2.395 ( 0.486 -0.000 0.000) 0.486 2.419 ( 1.131 -0.000 0.000) 1.131 2.461 ( 3.104 -0.000 0.000) 3.104 2.761 ( -0.209 0.000 -0.000) 0.209 2.771 ( -2.996 0.000 -0.000) 2.996 2.844 ( -0.743 0.000 -0.000) 0.743 3.080 ( 1.438 -0.000 0.000) 1.438 3.318 ( -6.639 0.000 -0.000) 6.639 3.562 ( -9.123 0.000 -0.000) 9.123 3.568 ( 5.148 -0.000 0.000) 5.148 3.657 ( 3.036 -0.000 0.000) 3.036 3.864 ( -3.563 0.000 -0.000) 3.563 3.968 ( 3.489 -0.000 0.000) 3.489 5.759 ( -2.827 0.000 -0.000) 2.827 5.797 ( -0.152 0.000 -0.000) 0.152 5.984 ( -4.662 0.000 -0.000) 4.662 6.017 ( 2.685 -0.000 0.000) 2.685 6.113 ( 6.017 -0.000 0.000) 6.017 6.206 ( -1.643 0.000 -0.000) 1.643 6.279 ( 0.803 -0.000 0.000) 0.803 6.289 ( 0.161 -0.000 0.000) 0.161 6.327 ( -0.566 0.000 -0.000) 0.566 7.040 ( -4.477 0.000 -0.000) 4.477 7.072 ( -3.673 0.000 -0.000) 3.673 7.188 ( -4.461 0.000 -0.000) 4.461 7.552 ( 8.470 -0.000 0.000) 8.470 7.693 ( 3.222 -0.000 0.000) 3.222 7.927 ( 13.793 -0.000 0.000) 13.793 8.090 ( 1.806 -0.000 0.000) 1.806 8.384 ( -4.802 0.000 -0.000) 4.802 8.501 ( -6.550 0.000 -0.000) 6.550 8.552 ( -0.098 0.000 -0.000) 0.098 8.723 ( -3.937 0.000 -0.000) 3.937 9.132 ( 3.104 -0.000 0.000) 3.104 9.160 ( -3.588 0.000 -0.000) 3.588 9.245 ( -0.177 0.000 -0.000) 0.177 9.551 ( -0.051 0.000 -0.000) 0.051 ======================= Grid point 105 (30/75) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 5.971 5.971 5.498) 10.076 1.662 ( 5.317 5.317 9.975) 12.492 2.061 ( 1.322 1.322 -3.683) 4.130 2.077 ( -1.005 -1.005 1.085) 1.788 2.261 ( -0.947 -0.947 -4.126) 4.337 2.270 ( -0.487 -0.487 0.257) 0.735 2.471 ( -0.946 -0.946 -0.304) 1.372 2.504 ( -2.745 -2.745 0.940) 3.994 2.751 ( 5.580 5.580 1.492) 8.030 2.873 ( 0.095 0.095 -3.556) 3.558 3.079 ( 2.279 2.279 -0.828) 3.328 3.091 ( 0.098 0.098 -1.532) 1.539 3.180 ( 8.317 8.317 13.676) 18.039 3.268 ( 0.309 0.309 3.202) 3.232 3.470 ( -2.261 -2.261 -2.030) 3.788 3.742 ( -1.867 -1.867 -4.692) 5.384 3.819 ( -0.880 -0.880 -5.888) 6.018 3.944 ( -3.533 -3.533 2.792) 5.724 5.660 ( -1.531 -1.531 -0.488) 2.219 5.754 ( -1.974 -1.974 3.193) 4.241 5.770 ( -1.198 -1.198 -0.568) 1.787 5.834 ( -2.910 -2.910 -2.907) 5.038 6.164 ( -0.088 -0.088 1.705) 1.710 6.184 ( -1.329 -1.329 1.732) 2.556 6.297 ( -1.152 -1.152 -0.156) 1.637 6.373 ( -2.725 -2.725 1.719) 4.219 6.653 ( 3.521 3.521 4.159) 6.488 6.882 ( -0.250 -0.250 -1.566) 1.605 6.936 ( -0.666 -0.666 0.866) 1.280 7.023 ( -2.897 -2.897 -4.580) 6.145 7.948 ( 4.286 4.286 7.892) 9.951 8.026 ( 0.981 0.981 4.559) 4.765 8.131 ( 3.456 3.456 -4.731) 6.802 8.208 ( 1.828 1.828 -5.214) 5.819 8.385 ( 1.491 1.491 0.750) 2.238 8.479 ( 5.579 5.579 -0.925) 7.944 8.621 ( 1.501 1.501 -0.426) 2.165 8.717 ( -5.396 -5.396 3.604) 8.439 8.917 ( -0.091 -0.091 -5.986) 5.988 9.108 ( -0.679 -0.679 2.019) 2.235 9.140 ( 0.009 0.009 0.199) 0.199 9.264 ( -4.908 -4.908 -2.796) 7.483 ======================= Grid point 106 (31/75) ======================= q-point: (-0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 3.154 0.724 -1.055) 3.403 1.771 ( 1.305 -1.632 0.344) 2.117 2.044 ( 4.394 0.272 -1.564) 4.672 2.075 ( 2.911 0.733 1.160) 3.218 2.224 ( 0.973 1.804 -2.009) 2.870 2.260 ( -1.011 -0.262 0.113) 1.050 2.466 ( -4.439 -1.260 1.226) 4.775 2.485 ( -5.437 -1.207 1.739) 5.835 2.820 ( 6.083 1.703 -0.042) 6.317 2.853 ( 2.845 1.908 -0.248) 3.434 3.061 ( 1.241 0.968 -2.202) 2.707 3.095 ( 0.320 1.560 -0.997) 1.879 3.307 ( 0.346 -1.671 1.520) 2.285 3.349 ( -1.517 -1.152 1.640) 2.513 3.518 ( 5.673 -2.727 -1.944) 6.588 3.588 ( 4.769 1.527 1.478) 5.221 3.765 ( -5.156 4.340 -5.596) 8.759 3.942 ( -4.556 -3.030 3.097) 6.288 5.638 ( -0.427 -0.097 -0.992) 1.085 5.744 ( -1.341 -2.256 -0.961) 2.795 5.767 ( -1.456 -0.688 1.030) 1.911 5.802 ( -4.980 -0.481 3.270) 5.977 6.161 ( 1.218 -1.431 -0.238) 1.894 6.184 ( -1.311 -0.436 -0.551) 1.488 6.292 ( -3.256 0.660 -0.617) 3.379 6.349 ( -3.656 -2.161 0.190) 4.251 6.722 ( 3.907 -0.127 1.342) 4.133 6.867 ( -0.194 0.016 -1.802) 1.812 6.934 ( -0.387 -0.526 0.649) 0.921 6.971 ( -3.684 0.624 1.480) 4.019 8.028 ( 2.956 0.840 -4.538) 5.481 8.034 ( 1.863 -1.031 -5.345) 5.754 8.160 ( 2.208 2.417 2.578) 4.167 8.180 ( 1.291 1.868 4.486) 5.028 8.399 ( 4.684 0.978 -1.175) 4.927 8.544 ( 3.279 5.553 -4.593) 7.917 8.624 ( 3.383 -1.043 0.554) 3.583 8.695 ( -2.271 -4.833 3.983) 6.662 8.867 ( 0.503 2.142 -1.384) 2.599 9.124 ( -0.260 -2.752 1.708) 3.250 9.146 ( -0.432 -0.408 0.105) 0.603 9.203 ( -7.855 0.311 1.338) 7.974 ======================= Grid point 107 (32/75) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 5.973 -6.379 -7.378) 11.437 1.663 ( 5.167 -7.477 -5.758) 10.759 2.013 ( 1.537 2.428 -3.430) 4.475 2.122 ( 0.753 -0.541 1.423) 1.698 2.239 ( -1.193 4.193 0.351) 4.374 2.283 ( -1.122 -0.128 1.672) 2.018 2.481 ( -2.502 0.256 1.835) 3.114 2.506 ( -1.976 -1.108 2.658) 3.492 2.794 ( 6.046 -3.457 -1.304) 7.085 2.901 ( 1.097 1.524 1.867) 2.647 3.050 ( 3.693 0.591 -4.206) 5.629 3.096 ( -0.191 -0.075 -1.919) 1.930 3.173 ( 4.743 -8.262 -7.036) 11.843 3.272 ( 0.983 -5.177 -0.051) 5.270 3.468 ( -1.790 3.348 2.807) 4.721 3.702 ( -4.436 4.979 -3.724) 7.638 3.822 ( 2.694 6.303 3.335) 7.623 3.941 ( -4.479 -2.558 2.193) 5.605 5.633 ( -0.800 1.412 -1.061) 1.939 5.699 ( -3.654 -0.348 -2.255) 4.308 5.795 ( -0.462 -0.014 3.232) 3.265 5.861 ( -3.319 1.022 4.352) 5.567 6.136 ( 0.274 -0.180 -1.474) 1.510 6.155 ( -1.575 -0.691 -2.148) 2.752 6.289 ( -1.579 0.583 -0.753) 1.844 6.327 ( -3.109 -0.068 -1.555) 3.477 6.671 ( 4.850 -5.438 -1.937) 7.540 6.871 ( 0.555 2.651 0.670) 2.790 6.948 ( -1.520 -0.872 1.395) 2.240 7.039 ( -2.968 2.952 3.250) 5.299 7.889 ( 2.878 -3.841 -8.464) 9.730 7.964 ( 0.367 0.351 -4.551) 4.580 8.217 ( 4.914 0.122 2.321) 5.436 8.277 ( 1.340 0.180 3.306) 3.571 8.380 ( 2.407 -0.749 -1.458) 2.912 8.519 ( 1.777 1.380 -2.204) 3.150 8.614 ( 1.762 0.165 -1.745) 2.485 8.671 ( 1.400 -4.164 1.756) 4.731 8.947 ( 0.235 6.444 2.468) 6.905 9.083 ( -5.390 -1.593 -1.005) 5.709 9.164 ( 1.141 -1.009 3.131) 3.482 9.268 ( -4.923 2.010 3.923) 6.608 ======================= Grid point 108 (33/75) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 9.950 -9.950 -7.961) 16.167 1.434 ( 10.581 -10.581 -8.808) 17.364 2.010 ( -2.885 2.885 -3.195) 5.182 2.115 ( 0.989 -0.989 -0.144) 1.406 2.259 ( 5.962 -5.962 -0.885) 8.477 2.334 ( -6.401 6.401 1.434) 9.165 2.480 ( 1.138 -1.138 -1.162) 1.985 2.529 ( 1.529 -1.529 2.522) 3.322 2.632 ( 10.563 -10.563 -6.681) 16.364 2.896 ( 3.110 -3.110 -1.943) 4.809 2.918 ( 0.463 -0.463 -0.835) 1.060 3.132 ( -1.997 1.997 2.585) 3.829 3.148 ( -2.317 2.317 0.344) 3.294 3.222 ( 1.535 -1.535 0.692) 2.278 3.566 ( -2.916 2.916 4.106) 5.819 3.694 ( -4.256 4.256 -5.737) 8.315 3.903 ( 0.222 -0.222 0.407) 0.514 3.948 ( -1.214 1.214 1.609) 2.353 5.645 ( -2.335 2.335 -0.995) 3.449 5.683 ( -2.285 2.285 -1.720) 3.661 5.844 ( -0.712 0.712 2.852) 3.025 5.943 ( -2.151 2.151 4.307) 5.273 6.108 ( -1.272 1.272 -3.082) 3.569 6.141 ( 0.074 -0.074 1.143) 1.148 6.288 ( -0.566 0.566 -1.043) 1.315 6.300 ( -1.166 1.166 -3.265) 3.658 6.560 ( 6.597 -6.597 -1.719) 9.486 6.935 ( -2.237 2.237 2.239) 3.876 6.954 ( -0.100 0.100 1.415) 1.422 7.101 ( -2.202 2.202 0.221) 3.122 7.726 ( 4.109 -4.109 -6.816) 8.957 7.938 ( -0.485 0.485 -0.083) 0.692 8.204 ( 3.073 -3.073 -2.025) 4.794 8.227 ( 5.827 -5.827 -1.733) 8.421 8.381 ( 0.958 -0.958 3.072) 3.357 8.558 ( -0.615 0.615 3.274) 3.388 8.578 ( -3.047 3.047 -5.916) 7.318 8.636 ( 2.823 -2.823 -0.032) 3.992 9.067 ( -3.262 3.262 -0.136) 4.615 9.067 ( -2.984 2.984 1.973) 4.658 9.196 ( 1.753 -1.753 4.156) 4.839 9.348 ( -3.014 3.014 2.789) 5.094 ======================= Grid point 110 (34/75) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 18.378 -9.590 0.000) 20.730 0.990 ( 19.613 -6.886 0.000) 20.787 1.694 ( 28.200 -9.860 0.000) 29.874 2.034 ( -5.209 -0.597 -0.000) 5.243 2.190 ( 5.123 2.022 0.000) 5.508 2.416 ( -0.075 -1.619 0.000) 1.621 2.430 ( -0.132 -0.452 0.000) 0.471 2.507 ( 1.470 -1.688 0.000) 2.238 2.626 ( -1.491 8.964 -0.000) 9.087 2.829 ( -0.153 -4.481 0.000) 4.484 2.847 ( -0.762 -2.030 0.000) 2.168 3.135 ( 5.472 -0.721 0.000) 5.519 3.212 ( -7.274 1.163 -0.000) 7.366 3.398 ( -9.888 4.179 -0.000) 10.735 3.609 ( -1.244 -0.568 -0.000) 1.368 3.688 ( 1.424 0.526 0.000) 1.518 3.843 ( -1.165 -1.993 0.000) 2.309 3.994 ( 1.056 0.908 0.000) 1.393 5.702 ( -2.815 1.908 -0.000) 3.401 5.775 ( 1.274 4.125 -0.000) 4.317 5.904 ( -3.299 1.820 -0.000) 3.768 6.072 ( 2.807 -0.467 0.000) 2.845 6.151 ( -1.552 4.547 -0.000) 4.804 6.194 ( 3.875 -0.461 0.000) 3.902 6.268 ( 0.392 1.861 -0.000) 1.902 6.286 ( 0.025 1.750 -0.000) 1.751 6.379 ( 4.644 -5.167 0.000) 6.947 6.973 ( -3.891 0.348 -0.000) 3.906 7.022 ( -3.616 0.067 -0.000) 3.616 7.127 ( -2.961 1.543 -0.000) 3.339 7.622 ( 8.355 3.997 0.000) 9.262 7.842 ( 4.099 -10.316 0.000) 11.101 8.075 ( 3.402 1.504 0.000) 3.719 8.133 ( 6.561 -1.586 0.000) 6.750 8.312 ( -10.127 -6.096 -0.000) 11.821 8.460 ( -1.159 -0.807 -0.000) 1.412 8.570 ( 3.141 -0.636 0.000) 3.205 8.655 ( -5.076 0.648 -0.000) 5.117 9.095 ( -5.372 0.790 -0.000) 5.430 9.179 ( 2.335 -0.237 0.000) 2.347 9.238 ( 0.019 0.434 -0.000) 0.435 9.507 ( -0.996 4.551 -0.000) 4.659 ======================= Grid point 111 (35/75) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 18.995 0.000 7.523) 20.430 1.016 ( 19.058 0.000 9.924) 21.487 1.705 ( 27.248 0.000 11.342) 29.515 2.028 ( -4.987 0.000 -0.213) 4.991 2.208 ( 5.116 -0.000 0.489) 5.140 2.405 ( 0.145 0.000 0.219) 0.263 2.436 ( -0.416 0.000 0.151) 0.442 2.480 ( 1.632 -0.000 -1.268) 2.067 2.704 ( -1.800 -0.000 -2.422) 3.018 2.766 ( -0.110 0.000 0.602) 0.612 2.848 ( -0.977 0.000 2.006) 2.231 3.106 ( 3.488 -0.000 -3.271) 4.782 3.231 ( -4.725 0.000 1.250) 4.888 3.377 ( -7.588 -0.000 -6.103) 9.738 3.632 ( -3.562 0.000 1.273) 3.783 3.701 ( 1.467 0.000 2.960) 3.304 3.828 ( -1.568 0.000 -0.048) 1.569 4.007 ( 1.310 0.000 0.810) 1.540 5.716 ( -3.216 0.000 0.041) 3.216 5.808 ( 1.044 0.000 0.445) 1.135 5.904 ( -3.024 -0.000 -2.820) 4.135 6.052 ( 2.551 -0.000 -1.583) 3.002 6.162 ( 2.607 -0.000 -3.129) 4.073 6.202 ( -0.041 0.000 0.955) 0.956 6.279 ( 0.019 -0.000 -1.376) 1.376 6.325 ( 2.837 0.000 3.657) 4.628 6.341 ( 4.555 0.000 2.418) 5.157 6.941 ( -5.200 -0.000 -3.403) 6.215 7.055 ( -2.875 0.000 2.834) 4.037 7.136 ( -2.887 0.000 -0.174) 2.892 7.675 ( 8.868 -0.000 0.124) 8.868 7.764 ( 4.386 0.000 2.540) 5.068 8.042 ( 7.175 -0.000 -4.176) 8.302 8.121 ( 1.122 0.000 1.293) 1.712 8.344 ( -6.454 0.000 5.036) 8.187 8.468 ( -4.478 0.000 4.742) 6.522 8.574 ( 1.644 0.000 0.736) 1.801 8.645 ( -4.950 -0.000 -1.849) 5.284 9.093 ( -4.652 -0.000 -1.307) 4.832 9.159 ( 2.897 -0.000 -2.092) 3.573 9.231 ( 0.103 -0.000 -1.625) 1.629 9.531 ( -1.378 -0.000 -1.449) 1.999 ======================= Grid point 115 (36/75) ======================= q-point: (-0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.454 0.454 -3.295) 3.357 1.739 ( -0.952 -0.952 -4.173) 4.385 2.064 ( 0.990 0.990 -4.900) 5.096 2.067 ( 0.660 0.660 -3.773) 3.887 2.235 ( 1.443 1.443 1.238) 2.387 2.251 ( -0.814 -0.814 1.554) 1.933 2.467 ( -0.861 -0.861 4.399) 4.565 2.488 ( -1.549 -1.549 5.026) 5.483 2.877 ( 1.993 1.993 -0.376) 2.843 2.886 ( 1.819 1.819 -0.086) 2.573 3.047 ( 1.673 1.673 -2.152) 3.198 3.072 ( -0.052 -0.052 -2.146) 2.148 3.325 ( -0.681 -0.681 -0.390) 1.039 3.352 ( -1.660 -1.660 3.033) 3.835 3.484 ( 0.688 0.688 -9.720) 9.769 3.532 ( -2.004 -2.004 -6.826) 7.391 3.797 ( 5.505 5.505 5.989) 9.822 3.929 ( -3.894 -3.894 2.989) 6.266 5.620 ( 0.600 0.600 -1.494) 1.718 5.673 ( -2.913 -2.913 -2.477) 4.807 5.799 ( 0.078 0.078 3.608) 3.610 5.821 ( -1.516 -1.516 4.400) 4.895 6.145 ( -0.761 -0.761 -2.132) 2.388 6.146 ( -0.724 -0.724 -2.080) 2.318 6.271 ( 0.196 0.196 -0.156) 0.318 6.304 ( -2.197 -2.197 -0.629) 3.170 6.786 ( 1.369 1.369 1.167) 2.260 6.821 ( -1.123 -1.123 -1.525) 2.201 6.955 ( 0.957 0.957 2.498) 2.841 6.981 ( -0.909 -0.909 2.781) 3.064 7.944 ( 0.660 0.660 -7.872) 7.928 7.958 ( -0.379 -0.379 -6.929) 6.950 8.242 ( 2.603 2.603 2.686) 4.556 8.271 ( 0.707 0.707 4.463) 4.573 8.427 ( 2.861 2.861 -1.838) 4.444 8.482 ( -0.201 -0.201 -4.827) 4.836 8.680 ( 1.445 1.445 1.901) 2.791 8.724 ( -1.749 -1.749 2.576) 3.572 8.885 ( 4.272 4.272 -0.711) 6.083 9.037 ( -5.779 -5.779 -2.627) 8.585 9.200 ( -0.052 -0.052 4.287) 4.287 9.203 ( -0.400 -0.400 4.927) 4.959 ======================= Grid point 117 (37/75) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 5.797 -5.797 -4.845) 9.523 1.658 ( 4.315 -4.315 -4.800) 7.764 1.957 ( 0.520 -0.520 -5.345) 5.395 2.068 ( -5.401 5.401 -4.654) 8.944 2.247 ( 1.208 -1.208 2.462) 2.997 2.301 ( -1.390 1.390 2.843) 3.456 2.516 ( 1.726 -1.726 2.945) 3.825 2.549 ( -0.272 0.272 4.581) 4.597 2.848 ( 3.804 -3.804 -0.456) 5.398 2.918 ( -1.186 1.186 0.629) 1.792 3.036 ( 1.548 -1.548 -3.924) 4.494 3.041 ( -1.795 1.795 -2.353) 3.462 3.170 ( 8.966 -8.966 -6.787) 14.382 3.324 ( 3.265 -3.265 1.998) 5.031 3.476 ( -3.516 3.516 2.962) 5.787 3.509 ( -8.565 8.565 -7.338) 14.162 3.910 ( 0.306 -0.306 1.788) 1.840 3.922 ( -0.661 0.661 2.594) 2.758 5.610 ( -0.215 0.215 -1.306) 1.341 5.629 ( -1.502 1.502 -1.582) 2.648 5.840 ( 0.598 -0.598 2.638) 2.770 5.879 ( -2.163 2.163 3.302) 4.502 6.104 ( 0.714 -0.714 -1.745) 2.016 6.129 ( -0.872 0.872 -0.195) 1.249 6.271 ( -0.379 0.379 -1.044) 1.173 6.274 ( -0.598 0.598 -1.879) 2.060 6.736 ( 5.937 -5.937 0.293) 8.401 6.864 ( -3.405 3.405 1.230) 4.970 6.975 ( 1.542 -1.542 1.803) 2.829 7.033 ( -2.576 2.576 1.381) 3.896 7.826 ( 3.155 -3.155 -6.214) 7.650 7.897 ( -2.140 2.140 -3.296) 4.475 8.262 ( 1.136 -1.136 -2.935) 3.346 8.283 ( -0.405 0.405 -2.214) 2.287 8.424 ( 2.167 -2.167 2.997) 4.286 8.490 ( -2.637 2.637 1.206) 3.919 8.662 ( 5.677 -5.677 -0.596) 8.050 8.723 ( 2.391 -2.391 1.919) 3.888 8.955 ( -3.757 3.757 -2.985) 6.095 8.967 ( -3.741 3.741 0.456) 5.311 9.242 ( 1.529 -1.529 4.447) 4.945 9.284 ( -1.756 1.756 4.045) 4.746 ======================= Grid point 119 (38/75) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 14.029 -8.998 0.000) 16.666 1.337 ( 15.721 -8.191 0.000) 17.726 1.936 ( -3.818 1.261 -0.000) 4.021 2.045 ( 1.524 -5.490 0.000) 5.698 2.329 ( -3.009 3.948 -0.000) 4.964 2.366 ( 12.540 -1.045 0.000) 12.583 2.453 ( -0.617 0.266 -0.000) 0.672 2.540 ( 2.349 -4.536 0.000) 5.108 2.621 ( 9.132 -1.722 0.000) 9.293 2.870 ( -1.099 -2.855 0.000) 3.060 2.883 ( 1.239 -2.778 0.000) 3.042 3.098 ( -6.781 0.494 -0.000) 6.799 3.170 ( -5.763 5.654 -0.000) 8.073 3.270 ( 3.567 -2.228 0.000) 4.206 3.540 ( -7.092 1.934 -0.000) 7.351 3.668 ( -0.927 3.793 -0.000) 3.904 3.871 ( 0.335 -2.386 0.000) 2.409 3.978 ( -0.719 1.314 -0.000) 1.498 5.649 ( -0.170 2.610 -0.000) 2.616 5.723 ( 1.713 6.300 -0.000) 6.529 5.862 ( -0.892 -0.009 -0.000) 0.892 6.047 ( -1.712 6.125 -0.000) 6.360 6.107 ( 3.459 1.728 0.000) 3.867 6.217 ( 1.020 2.071 -0.000) 2.308 6.246 ( 0.272 1.316 -0.000) 1.344 6.266 ( 0.726 1.857 -0.000) 1.994 6.559 ( 7.846 -7.267 0.000) 10.694 6.938 ( -2.771 -1.272 -0.000) 3.049 6.976 ( -2.437 0.299 -0.000) 2.455 7.069 ( -2.494 1.488 -0.000) 2.904 7.689 ( 6.974 1.486 0.000) 7.130 7.994 ( -0.120 -0.081 -0.000) 0.144 8.049 ( -1.554 -5.072 0.000) 5.305 8.188 ( -3.548 -2.441 -0.000) 4.306 8.343 ( -1.156 -8.682 0.000) 8.758 8.476 ( 0.335 -2.081 0.000) 2.108 8.583 ( -3.855 0.032 -0.000) 3.855 8.671 ( 8.775 -1.883 0.000) 8.974 8.989 ( -7.070 2.286 -0.000) 7.431 9.159 ( -0.167 5.100 -0.000) 5.103 9.261 ( 1.244 -1.995 0.000) 2.352 9.422 ( -1.693 4.576 -0.000) 4.879 ======================= Grid point 120 (39/75) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 16.618 -6.123 4.931) 18.384 1.296 ( 16.841 -4.319 6.782) 18.662 1.956 ( -3.561 0.283 1.188) 3.765 1.985 ( 5.689 -4.761 3.447) 8.180 2.344 ( 9.911 0.692 -1.247) 10.013 2.383 ( -2.864 2.969 -1.671) 4.451 2.450 ( 4.165 -3.449 1.055) 5.510 2.510 ( 1.036 -1.148 3.176) 3.532 2.642 ( 4.734 4.662 -0.804) 6.693 2.817 ( -1.431 -4.757 -0.221) 4.973 2.856 ( 0.802 -1.962 1.414) 2.548 3.089 ( -5.981 -0.258 -1.841) 6.263 3.225 ( -2.867 2.952 -0.471) 4.142 3.253 ( -0.076 -0.033 -0.746) 0.751 3.562 ( -6.073 0.545 0.267) 6.103 3.706 ( -0.079 1.261 1.560) 2.008 3.830 ( -0.764 -1.802 -1.910) 2.734 4.004 ( -0.289 1.173 1.127) 1.652 5.675 ( -0.904 1.354 -0.144) 1.634 5.803 ( 2.350 4.546 -0.041) 5.118 5.859 ( -1.538 0.572 -1.001) 1.921 6.076 ( 1.794 2.433 -4.092) 5.087 6.154 ( 0.036 2.241 1.552) 2.726 6.205 ( 2.021 1.570 -2.908) 3.873 6.278 ( 0.965 0.911 -0.328) 1.368 6.331 ( 2.326 2.752 4.352) 5.650 6.478 ( 7.869 -5.143 2.068) 9.625 6.885 ( -3.806 -1.142 -3.661) 5.403 7.012 ( -2.434 0.686 3.157) 4.045 7.091 ( -2.776 0.977 0.473) 2.981 7.740 ( 7.506 3.866 1.100) 8.514 7.897 ( 3.064 -7.414 0.570) 8.042 8.049 ( -3.319 1.045 -1.787) 3.912 8.165 ( -1.367 -4.925 1.585) 5.351 8.277 ( -4.455 -3.183 5.172) 7.532 8.455 ( -1.200 -1.521 0.811) 2.100 8.571 ( -4.027 0.024 -1.619) 4.341 8.651 ( 7.810 -0.981 -0.201) 7.874 9.011 ( -6.067 1.273 -0.491) 6.218 9.196 ( 1.637 0.710 -1.273) 2.192 9.227 ( 0.633 0.160 -2.080) 2.180 9.473 ( -2.676 3.710 -1.198) 4.728 ======================= Grid point 121 (40/75) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 15.501 0.000 8.896) 17.872 1.387 ( 14.958 0.000 9.904) 17.939 1.954 ( -4.327 0.000 -0.376) 4.343 2.041 ( 3.191 0.000 7.026) 7.716 2.320 ( -5.393 -0.000 -5.273) 7.543 2.352 ( 5.874 -0.000 -3.023) 6.606 2.435 ( 4.569 0.000 1.872) 4.937 2.591 ( 9.694 0.000 7.419) 12.207 2.683 ( -0.065 0.000 0.640) 0.643 2.768 ( -1.444 0.000 -0.157) 1.452 2.866 ( 1.064 0.000 2.151) 2.400 3.056 ( -2.135 -0.000 -2.052) 2.961 3.206 ( -5.818 -0.000 -4.165) 7.155 3.268 ( 3.924 0.000 1.990) 4.400 3.553 ( -4.865 -0.000 -2.117) 5.306 3.761 ( -1.224 0.000 4.887) 5.038 3.771 ( -3.520 -0.000 -4.738) 5.903 4.029 ( 0.308 0.000 0.957) 1.005 5.681 ( -1.365 -0.000 -0.282) 1.394 5.821 ( 1.070 -0.000 -2.288) 2.526 5.848 ( 0.191 -0.000 -1.081) 1.098 6.036 ( 1.376 -0.000 -3.902) 4.137 6.146 ( 1.822 -0.000 -2.882) 3.409 6.204 ( 0.558 -0.000 -0.563) 0.792 6.295 ( -0.083 0.000 3.569) 3.570 6.413 ( 2.629 0.000 3.572) 4.435 6.498 ( 8.148 0.000 5.158) 9.643 6.831 ( -4.327 -0.000 -2.588) 5.042 7.050 ( -1.772 0.000 0.434) 1.824 7.108 ( -2.322 0.000 1.332) 2.677 7.788 ( 6.426 0.000 1.343) 6.565 7.865 ( 4.204 0.000 3.093) 5.219 8.042 ( -1.824 0.000 0.117) 1.827 8.133 ( -1.619 0.000 0.272) 1.642 8.337 ( -2.743 0.000 4.302) 5.102 8.454 ( -6.263 0.000 -0.521) 6.285 8.560 ( -2.540 0.000 1.345) 2.874 8.636 ( 6.282 -0.000 -1.109) 6.379 9.004 ( -4.828 -0.000 -1.844) 5.168 9.156 ( 2.376 -0.000 -3.463) 4.200 9.211 ( 0.412 -0.000 -1.620) 1.672 9.479 ( -2.655 -0.000 -1.779) 3.196 ======================= Grid point 128 (41/75) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 8.294 -5.275 0.000) 9.830 1.603 ( 7.911 -3.811 0.000) 8.781 1.871 ( -0.309 0.159 -0.000) 0.348 1.994 ( -5.935 6.818 -0.000) 9.039 2.282 ( 1.613 -2.722 0.000) 3.164 2.369 ( -2.540 4.058 -0.000) 4.787 2.545 ( 3.178 -4.576 0.000) 5.571 2.597 ( -1.379 -1.850 0.000) 2.307 2.849 ( 6.201 -5.307 0.000) 8.162 2.892 ( -0.959 -3.431 0.000) 3.563 2.929 ( -2.404 -1.608 -0.000) 2.892 3.001 ( -5.906 4.501 -0.000) 7.426 3.096 ( 7.988 -6.288 0.000) 10.166 3.349 ( -7.564 6.212 -0.000) 9.789 3.414 ( 5.199 -1.991 0.000) 5.568 3.558 ( -3.197 7.351 -0.000) 8.016 3.910 ( 0.484 -2.411 0.000) 2.459 3.947 ( -1.726 0.754 -0.000) 1.884 5.633 ( 2.973 2.344 0.000) 3.785 5.664 ( 1.764 5.413 -0.000) 5.693 5.879 ( 2.748 -0.494 0.000) 2.792 5.946 ( -1.025 5.461 -0.000) 5.557 6.137 ( 3.705 0.974 0.000) 3.831 6.180 ( 0.187 3.634 -0.000) 3.639 6.244 ( 1.300 0.947 0.000) 1.609 6.253 ( 0.859 1.700 -0.000) 1.904 6.751 ( 6.101 -6.227 0.000) 8.718 6.883 ( -4.326 2.659 -0.000) 5.078 6.978 ( -0.151 -2.568 0.000) 2.573 7.019 ( -2.678 0.720 -0.000) 2.773 7.774 ( 5.823 -1.600 0.000) 6.039 7.891 ( -3.521 5.877 -0.000) 6.851 8.132 ( -2.054 -6.359 0.000) 6.682 8.168 ( -4.187 -2.575 -0.000) 4.916 8.426 ( -2.227 -6.531 0.000) 6.900 8.476 ( -5.201 -2.016 -0.000) 5.578 8.627 ( 4.666 -6.046 0.000) 7.637 8.773 ( -2.662 2.253 -0.000) 3.488 8.905 ( 5.276 -0.305 0.000) 5.285 9.049 ( -1.509 9.146 -0.000) 9.269 9.305 ( 1.184 -1.934 0.000) 2.268 9.351 ( -1.782 2.275 -0.000) 2.890 ======================= Grid point 129 (42/75) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 11.766 -5.043 3.154) 13.184 1.566 ( 12.505 -4.817 4.245) 14.057 1.896 ( -2.363 0.928 1.383) 2.891 2.062 ( -1.009 -0.146 2.142) 2.372 2.261 ( -3.453 1.881 -1.715) 4.290 2.392 ( -1.361 1.388 -3.209) 3.752 2.512 ( 1.148 0.067 2.300) 2.571 2.547 ( 0.367 -3.397 -1.240) 3.635 2.784 ( 7.072 -3.502 -0.605) 7.914 2.842 ( -2.160 -4.200 0.360) 4.737 2.911 ( -0.298 -1.747 0.829) 1.956 3.041 ( -1.306 -2.057 0.911) 2.601 3.085 ( -1.550 2.518 2.745) 4.035 3.354 ( 6.479 -1.828 -0.028) 6.732 3.454 ( -5.603 3.056 1.260) 6.506 3.649 ( -2.029 5.472 0.458) 5.854 3.844 ( -1.477 -2.420 -4.163) 5.037 3.979 ( -0.760 1.081 2.058) 2.446 5.661 ( 2.212 2.014 -0.361) 3.014 5.749 ( 1.352 5.971 0.284) 6.129 5.869 ( 2.965 0.049 -0.891) 3.097 6.019 ( -0.097 6.184 -2.139) 6.544 6.147 ( 2.043 1.447 -0.141) 2.507 6.203 ( 2.063 2.855 -2.620) 4.390 6.280 ( 2.228 1.974 0.696) 3.057 6.317 ( 2.187 3.532 4.299) 5.978 6.663 ( 6.978 -6.223 0.286) 9.354 6.865 ( -2.890 -1.703 -3.207) 4.641 6.974 ( -1.812 0.295 2.015) 2.726 7.038 ( -2.912 0.926 1.090) 3.244 7.785 ( 4.679 1.450 1.522) 5.130 7.939 ( -2.755 3.099 -2.786) 4.996 8.047 ( -2.393 -8.608 3.151) 9.474 8.175 ( -3.856 -2.424 5.518) 7.155 8.315 ( -2.234 -7.212 -0.978) 7.613 8.437 ( -5.835 -2.368 -1.262) 6.422 8.571 ( 2.573 -2.785 0.304) 3.804 8.780 ( 5.023 -0.073 -0.975) 5.117 8.914 ( -1.367 1.819 -0.387) 2.309 9.157 ( -0.150 5.468 0.431) 5.487 9.260 ( 1.208 -1.912 -2.523) 3.388 9.379 ( -2.974 3.629 -1.480) 4.919 ======================= Grid point 130 (43/75) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 12.871 -3.133 5.514) 14.348 1.596 ( 12.717 -2.453 7.013) 14.728 1.911 ( -2.312 -0.577 0.227) 2.394 2.075 ( 0.668 -1.777 2.818) 3.398 2.234 ( -5.986 0.794 -5.546) 8.199 2.369 ( -0.208 1.460 -2.796) 3.161 2.500 ( 1.454 -2.275 1.591) 3.134 2.598 ( -1.771 5.274 2.821) 6.238 2.728 ( 2.345 -1.881 -1.799) 3.503 2.783 ( -3.113 -5.312 0.748) 6.202 2.923 ( 2.724 0.124 2.388) 3.625 3.026 ( -2.439 -2.400 1.218) 3.632 3.153 ( 2.264 0.968 3.671) 4.420 3.341 ( 6.048 -0.484 0.373) 6.079 3.490 ( -2.573 1.471 -0.501) 3.006 3.712 ( -3.327 0.784 -1.564) 3.759 3.747 ( -2.869 -0.523 -2.547) 3.872 4.020 ( -0.208 1.032 1.594) 1.910 5.676 ( 1.576 0.946 -0.410) 1.883 5.808 ( 0.175 2.727 -1.283) 3.019 5.864 ( 3.682 1.613 -1.328) 4.234 6.033 ( 1.513 3.408 -4.712) 6.009 6.166 ( 1.090 0.310 -0.719) 1.342 6.210 ( 2.430 1.926 -1.010) 3.261 6.303 ( 1.851 0.502 1.560) 2.472 6.424 ( 2.813 3.336 3.225) 5.426 6.623 ( 7.041 -2.626 3.092) 8.126 6.795 ( -2.812 -1.934 -2.109) 4.012 7.011 ( -2.166 1.662 0.557) 2.786 7.070 ( -2.399 0.813 1.712) 3.057 7.835 ( 2.629 1.524 1.855) 3.561 7.931 ( 0.768 -0.075 0.369) 0.856 8.003 ( -3.596 -4.783 4.207) 7.315 8.150 ( -3.118 -6.226 -0.706) 6.998 8.300 ( -2.555 -0.454 6.145) 6.670 8.380 ( -6.793 -1.726 -2.843) 7.563 8.552 ( 0.855 -1.179 0.543) 1.555 8.756 ( 8.494 -0.474 -1.550) 8.647 8.931 ( -3.605 1.516 -0.901) 4.013 9.189 ( 1.405 -0.591 -3.145) 3.495 9.205 ( 0.373 1.224 -1.647) 2.086 9.411 ( -3.517 3.351 -1.193) 5.002 ======================= Grid point 131 (44/75) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 9.771 0.000 5.417) 11.172 1.670 ( 9.531 0.000 5.488) 10.998 1.903 ( -1.333 0.000 0.208) 1.349 2.056 ( -4.448 -0.000 -5.153) 6.807 2.199 ( -1.318 0.000 1.247) 1.814 2.332 ( -0.231 -0.000 -3.412) 3.420 2.527 ( 1.868 0.000 3.346) 3.832 2.651 ( -2.244 -0.000 -0.991) 2.453 2.686 ( -3.375 -0.000 -3.693) 5.003 2.790 ( 0.073 0.000 6.798) 6.798 2.950 ( -1.961 0.000 0.550) 2.037 3.017 ( -0.818 0.000 0.970) 1.269 3.225 ( 8.688 0.000 6.564) 10.889 3.343 ( 4.369 -0.000 0.164) 4.372 3.487 ( -0.028 -0.000 -1.190) 1.190 3.590 ( -6.811 -0.000 -10.604) 12.603 3.804 ( -2.339 0.000 4.996) 5.516 4.041 ( 0.331 0.000 0.263) 0.422 5.677 ( 1.492 -0.000 -0.344) 1.531 5.796 ( 1.165 -0.000 -2.241) 2.525 5.852 ( 2.566 -0.000 -2.539) 3.610 6.007 ( 1.097 -0.000 -2.422) 2.659 6.138 ( 2.783 -0.000 -2.372) 3.656 6.211 ( 0.995 -0.000 -0.180) 1.011 6.358 ( 0.449 0.000 4.686) 4.708 6.476 ( 1.770 0.000 0.784) 1.936 6.638 ( 3.774 -0.000 0.421) 3.797 6.787 ( -0.238 0.000 3.307) 3.315 7.005 ( -2.175 -0.000 -3.435) 4.066 7.102 ( -1.558 0.000 1.591) 2.227 7.880 ( 0.853 0.000 4.294) 4.378 7.951 ( 3.489 0.000 1.597) 3.837 8.023 ( -2.718 0.000 2.379) 3.612 8.093 ( -4.117 0.000 0.633) 4.165 8.310 ( -6.027 -0.000 -4.604) 7.584 8.393 ( -2.858 0.000 6.526) 7.124 8.546 ( -1.101 -0.000 -0.430) 1.182 8.731 ( 9.519 -0.000 -1.541) 9.643 8.925 ( -3.044 -0.000 -1.310) 3.314 9.134 ( 1.294 -0.000 -3.213) 3.464 9.194 ( -0.035 -0.000 -1.571) 1.572 9.425 ( -2.415 0.000 -0.442) 2.455 ======================= Grid point 137 (45/75) ======================= q-point: ( 0.56 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 2.399 2.399 2.516) 4.224 1.669 ( 2.168 2.168 1.791) 3.551 1.931 ( 0.963 0.963 2.365) 2.729 1.954 ( 1.322 1.322 3.512) 3.978 2.289 ( -1.549 -1.549 -3.596) 4.210 2.320 ( -0.197 -0.197 -0.446) 0.526 2.533 ( -2.044 -2.044 -1.548) 3.279 2.575 ( -1.380 -1.380 -0.115) 1.955 2.840 ( -3.226 -3.226 -1.769) 4.894 2.842 ( -4.399 -4.399 -1.956) 6.521 2.918 ( -1.187 -1.187 0.392) 1.723 2.981 ( 0.420 0.420 3.553) 3.603 3.252 ( -0.696 -0.696 3.459) 3.596 3.275 ( 1.988 1.988 4.700) 5.477 3.507 ( 3.722 3.722 -1.039) 5.365 3.520 ( 2.574 2.574 0.114) 3.642 3.852 ( -2.138 -2.138 -5.585) 6.351 3.964 ( -0.151 -0.151 2.937) 2.944 5.672 ( 3.328 3.328 -1.237) 4.866 5.706 ( 3.104 3.104 1.351) 4.593 5.916 ( 2.892 2.892 -2.446) 4.766 5.948 ( 2.789 2.789 0.077) 3.945 6.155 ( 1.381 1.381 -1.688) 2.581 6.193 ( 3.273 3.273 -1.351) 4.822 6.283 ( 2.533 2.533 0.963) 3.709 6.305 ( 2.871 2.871 3.968) 5.677 6.804 ( -0.798 -0.798 -0.793) 1.379 6.817 ( -0.745 -0.745 -1.179) 1.581 6.964 ( -1.885 -1.885 -0.868) 2.804 7.003 ( -0.668 -0.668 2.151) 2.350 7.834 ( 0.748 0.748 -0.977) 1.441 7.861 ( 0.867 0.867 1.163) 1.690 8.118 ( -3.189 -3.189 2.772) 5.294 8.142 ( -4.794 -4.794 5.062) 8.461 8.375 ( -4.244 -4.244 -1.626) 6.218 8.386 ( -5.153 -5.153 -1.295) 7.401 8.676 ( -1.194 -1.194 -1.130) 2.031 8.711 ( -0.453 -0.453 1.632) 1.753 8.972 ( 3.786 3.786 -4.100) 6.744 9.081 ( 4.184 4.184 3.605) 6.929 9.300 ( -0.532 -0.532 -2.636) 2.741 9.314 ( -0.270 -0.270 -1.693) 1.735 ======================= Grid point 139 (46/75) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 6.902 -1.241 1.742) 7.226 1.747 ( 5.109 1.174 3.839) 6.498 1.938 ( 4.753 -2.996 3.263) 6.497 2.074 ( -2.757 3.990 2.438) 5.428 2.168 ( -3.124 -3.314 -5.641) 7.250 2.324 ( -2.500 1.414 -1.492) 3.236 2.527 ( -0.635 0.714 1.549) 1.820 2.539 ( -1.413 -1.972 -0.232) 2.437 2.743 ( -3.891 -4.449 -1.985) 6.235 2.785 ( -4.915 -2.655 -0.906) 5.659 2.914 ( -1.613 -1.217 1.870) 2.753 3.017 ( -2.213 -0.848 1.026) 2.583 3.263 ( 6.377 -2.664 6.290) 9.345 3.399 ( 0.465 2.478 3.235) 4.102 3.491 ( 7.873 -0.413 0.303) 7.889 3.628 ( -3.110 5.968 1.171) 6.831 3.721 ( -3.167 -2.235 -8.160) 9.034 4.004 ( -0.006 0.779 2.215) 2.348 5.693 ( 3.544 2.082 -0.870) 4.201 5.768 ( 0.811 3.322 0.667) 3.484 5.903 ( 5.279 2.209 -3.467) 6.690 5.992 ( 1.772 5.084 -2.937) 6.133 6.167 ( 0.874 1.092 0.955) 1.694 6.217 ( 3.209 2.827 -1.097) 4.415 6.323 ( 3.286 2.160 -0.104) 3.933 6.409 ( 3.195 4.326 2.922) 6.120 6.746 ( 3.728 -3.635 -0.344) 5.218 6.797 ( -1.925 -2.024 -0.758) 2.894 6.951 ( -2.903 1.242 0.330) 3.175 7.032 ( -0.895 0.916 1.202) 1.756 7.833 ( -0.964 -0.496 2.066) 2.333 7.896 ( -1.924 0.470 2.158) 2.929 8.086 ( 0.288 -7.017 3.675) 7.926 8.163 ( -5.729 -3.226 1.193) 6.682 8.288 ( -3.818 -4.220 1.983) 6.026 8.324 ( -5.502 -2.772 -1.133) 6.264 8.615 ( 2.656 -3.488 -0.607) 4.426 8.767 ( -2.829 3.244 1.060) 4.433 8.946 ( 6.475 1.050 -3.326) 7.355 9.174 ( 0.983 2.997 0.530) 3.199 9.231 ( 1.003 -2.035 -3.651) 4.298 9.314 ( -2.643 3.623 -1.336) 4.679 ======================= Grid point 140 (47/75) ======================= q-point: (-0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 4.034 -0.413 -1.483) 4.318 1.775 ( 3.737 -1.963 -1.531) 4.490 1.940 ( 4.443 -1.434 2.986) 5.541 2.020 ( -1.678 -1.892 -3.758) 4.530 2.183 ( -0.721 1.331 3.398) 3.720 2.313 ( -1.778 0.396 -2.307) 2.940 2.511 ( -4.354 -0.440 -0.044) 4.376 2.587 ( -2.558 1.746 1.842) 3.603 2.671 ( -1.453 -2.335 -1.533) 3.149 2.780 ( -2.406 0.246 3.643) 4.373 2.922 ( -1.943 -1.786 1.563) 3.067 3.006 ( -3.338 -1.758 1.285) 3.986 3.309 ( 2.610 -0.298 1.698) 3.128 3.436 ( 5.662 -1.166 -2.120) 6.157 3.482 ( -1.165 0.132 -2.885) 3.114 3.556 ( 3.322 -0.451 -3.308) 4.709 3.754 ( -3.151 2.098 5.224) 6.451 4.039 ( 0.573 0.978 0.804) 1.389 5.706 ( 3.553 1.064 -0.327) 3.723 5.801 ( 0.833 1.276 -0.405) 1.577 5.886 ( 4.913 2.564 -4.253) 6.986 6.003 ( 2.063 3.357 -3.403) 5.207 6.184 ( 3.017 0.064 -0.353) 3.039 6.228 ( 2.140 0.440 -1.164) 2.475 6.358 ( 1.359 1.966 2.101) 3.182 6.478 ( 1.703 2.513 0.092) 3.037 6.681 ( 1.082 -2.321 -2.841) 3.825 6.806 ( 0.815 -0.341 4.737) 4.819 6.967 ( -1.504 0.702 -2.080) 2.661 7.065 ( -1.554 2.255 1.214) 2.996 7.872 ( -2.293 -0.962 4.348) 5.009 7.945 ( -2.253 0.728 3.895) 4.558 8.047 ( 0.361 -4.280 2.049) 4.759 8.075 ( -4.206 -4.768 -1.907) 6.638 8.245 ( -6.029 -3.016 -2.014) 7.036 8.348 ( -3.700 -0.047 5.142) 6.335 8.569 ( 2.029 -1.789 -0.853) 2.836 8.815 ( 0.960 1.645 0.789) 2.062 8.920 ( 5.652 0.831 -2.276) 6.149 9.153 ( 0.254 -1.027 -3.356) 3.519 9.183 ( -0.577 0.406 -2.043) 2.161 9.370 ( -1.442 3.524 1.097) 3.963 ======================= Grid point 141 (48/75) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -2.100 -0.000 -8.372) 8.631 1.663 ( -5.052 -0.000 -10.044) 11.243 1.965 ( 2.552 0.000 1.155) 2.801 2.030 ( 6.970 0.000 6.705) 9.671 2.231 ( 0.137 0.000 1.521) 1.528 2.291 ( -0.942 0.000 0.092) 0.946 2.491 ( -5.477 -0.000 -2.960) 6.226 2.591 ( -4.205 -0.000 -1.687) 4.531 2.686 ( 1.820 0.000 4.452) 4.810 2.833 ( -2.117 0.000 0.798) 2.262 2.940 ( -0.693 0.000 5.087) 5.134 3.013 ( -1.877 0.000 1.106) 2.179 3.239 ( -8.081 -0.000 -17.021) 18.842 3.299 ( -1.419 -0.000 -2.111) 2.544 3.511 ( 4.849 0.000 2.102) 5.285 3.598 ( 9.517 0.000 6.970) 11.796 3.838 ( -2.215 0.000 4.641) 5.142 4.046 ( 0.921 -0.000 -0.836) 1.244 5.712 ( 3.892 -0.000 0.075) 3.893 5.799 ( 2.433 -0.000 -0.915) 2.599 5.847 ( 2.990 -0.000 -3.482) 4.590 5.994 ( 0.789 -0.000 -1.704) 1.878 6.165 ( 4.908 -0.000 -1.823) 5.235 6.215 ( 0.313 -0.000 -0.663) 0.733 6.413 ( -0.575 0.000 2.503) 2.568 6.478 ( 0.505 -0.000 -2.365) 2.419 6.622 ( -0.717 -0.000 -3.517) 3.589 6.887 ( 0.054 0.000 6.011) 6.012 6.917 ( 0.855 -0.000 -3.900) 3.993 7.107 ( -1.111 0.000 1.589) 1.939 7.886 ( -3.417 -0.000 -1.758) 3.843 8.000 ( -2.087 0.000 2.829) 3.516 8.011 ( -1.155 -0.000 -1.918) 2.239 8.059 ( -3.269 0.000 1.788) 3.726 8.219 ( -3.397 0.000 3.947) 5.208 8.399 ( -5.077 0.000 1.785) 5.382 8.550 ( 2.156 -0.000 0.196) 2.165 8.829 ( 5.869 -0.000 -0.339) 5.879 8.907 ( 2.959 -0.000 -0.371) 2.982 9.110 ( 0.375 -0.000 -1.692) 1.733 9.164 ( -1.456 -0.000 -1.046) 1.793 9.416 ( -0.235 0.000 1.795) 1.811 ======================= Grid point 148 (49/75) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 0.232 0.232 -5.138) 5.149 1.816 ( 0.198 0.198 -3.770) 3.780 1.983 ( -1.551 -1.551 -3.477) 4.111 2.064 ( 1.656 1.656 3.299) 4.046 2.141 ( 1.223 1.223 4.695) 5.004 2.294 ( -1.117 -1.117 0.176) 1.590 2.475 ( -3.657 -3.657 -2.273) 5.649 2.555 ( -0.724 -0.724 2.186) 2.414 2.688 ( -1.375 -1.375 -0.724) 2.075 2.749 ( -1.489 -1.489 3.086) 3.737 2.929 ( -2.010 -2.010 4.320) 5.171 2.990 ( -2.825 -2.825 0.253) 4.003 3.328 ( 0.616 0.616 -0.957) 1.294 3.444 ( -3.027 -3.027 -11.776) 12.530 3.503 ( 2.376 2.376 -0.063) 3.361 3.646 ( 2.530 2.530 5.024) 6.168 3.670 ( 1.069 1.069 4.656) 4.896 4.035 ( 1.074 1.074 1.126) 1.891 5.729 ( 3.142 3.142 -0.693) 4.497 5.793 ( 1.167 1.167 0.977) 1.919 5.907 ( 4.413 4.413 -5.045) 8.025 5.989 ( 3.738 3.738 -3.686) 6.445 6.201 ( 1.065 1.065 1.281) 1.977 6.250 ( 2.519 2.519 -0.070) 3.563 6.349 ( 1.958 1.958 -1.650) 3.224 6.470 ( 2.529 2.529 0.159) 3.579 6.724 ( -0.566 -0.566 -3.969) 4.049 6.794 ( -1.673 -1.673 2.213) 3.239 6.967 ( 1.036 1.036 3.839) 4.109 7.023 ( 0.440 0.440 -1.856) 1.957 7.861 ( -2.588 -2.588 5.938) 6.975 7.923 ( -1.106 -1.106 4.048) 4.340 8.068 ( -5.628 -5.628 -2.315) 8.289 8.098 ( -1.497 -1.497 -2.055) 2.951 8.229 ( -6.146 -6.146 3.053) 9.212 8.314 ( -1.660 -1.660 3.143) 3.923 8.609 ( -0.511 -0.511 -1.540) 1.701 8.786 ( 1.490 1.490 2.448) 3.230 8.973 ( 4.045 4.045 -2.823) 6.380 9.158 ( -0.563 -0.563 -2.621) 2.739 9.183 ( -1.060 -1.060 -3.276) 3.602 9.324 ( 2.813 2.813 2.164) 4.529 ======================= Grid point 149 (50/75) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -3.365 -1.321 -11.785) 12.327 1.624 ( -4.861 -3.929 -14.763) 16.032 2.001 ( 2.075 -0.025 2.886) 3.555 2.110 ( 2.516 0.472 2.961) 3.914 2.230 ( 2.530 0.491 4.044) 4.795 2.289 ( -1.014 -1.021 1.191) 1.868 2.419 ( -5.540 -0.623 -1.538) 5.783 2.556 ( -1.271 -0.998 -0.112) 1.620 2.682 ( 0.481 2.244 -0.218) 2.305 2.811 ( -1.241 -0.599 4.813) 5.006 2.954 ( -0.027 -2.254 3.578) 4.229 2.992 ( -2.509 -0.793 4.771) 5.449 3.153 ( -7.207 -3.377 -19.467) 21.031 3.287 ( -0.672 -0.346 -4.509) 4.572 3.562 ( 4.267 2.121 1.490) 4.992 3.714 ( 5.916 -1.239 6.674) 9.004 3.793 ( -2.314 2.025 5.918) 6.669 4.055 ( 1.478 1.105 -0.848) 2.031 5.759 ( 4.108 1.794 0.144) 4.485 5.818 ( 1.158 0.753 0.613) 1.511 5.891 ( 5.330 2.651 -4.773) 7.630 5.986 ( 1.928 3.086 -3.294) 4.909 6.208 ( 0.380 0.359 -2.375) 2.432 6.255 ( 5.191 -0.983 -0.472) 5.305 6.370 ( -1.612 3.454 0.075) 3.812 6.479 ( 0.540 0.609 -1.971) 2.133 6.631 ( -0.402 -1.796 -6.661) 6.910 6.840 ( -2.073 1.318 3.995) 4.690 6.982 ( 4.200 -1.508 0.802) 4.534 7.065 ( -1.679 2.939 2.489) 4.201 7.855 ( -4.270 -3.097 -3.118) 6.127 7.964 ( -2.423 -0.344 1.866) 3.078 7.996 ( -3.168 -3.461 1.397) 4.896 8.049 ( -1.270 -0.452 -1.632) 2.117 8.200 ( -4.608 -5.199 6.466) 9.490 8.341 ( -3.306 -0.294 1.961) 3.855 8.584 ( 1.334 -0.622 -0.647) 1.608 8.844 ( 0.765 1.442 2.339) 2.852 8.985 ( 6.604 1.998 -1.466) 7.053 9.117 ( -0.296 -0.813 -1.381) 1.630 9.141 ( -1.599 -0.291 -1.163) 1.998 9.400 ( 1.437 2.790 2.503) 4.014 ======================= Grid point 150 (51/75) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -6.814 -0.000 -17.361) 18.650 1.392 ( -8.512 -0.000 -15.285) 17.496 2.029 ( 2.302 0.000 1.643) 2.828 2.148 ( -2.552 0.000 1.245) 2.840 2.256 ( -1.559 -0.000 -6.184) 6.378 2.287 ( 2.595 0.000 3.813) 4.612 2.397 ( -1.696 -0.000 -0.961) 1.950 2.535 ( 0.733 -0.000 -1.581) 1.742 2.719 ( -2.384 -0.000 -1.755) 2.961 2.799 ( -3.237 -0.000 -4.012) 5.155 2.906 ( -4.538 -0.000 -4.651) 6.498 2.998 ( 1.496 0.000 0.631) 1.624 3.084 ( -0.096 0.000 8.390) 8.391 3.229 ( -3.139 -0.000 -2.364) 3.930 3.599 ( 3.933 0.000 2.021) 4.422 3.789 ( 4.988 0.000 5.159) 7.176 3.868 ( -1.002 0.000 2.808) 2.981 4.038 ( 0.936 -0.000 -2.524) 2.692 5.775 ( 4.334 -0.000 0.351) 4.349 5.833 ( 1.327 0.000 0.682) 1.492 5.846 ( 5.422 -0.000 -3.762) 6.600 5.983 ( 0.301 -0.000 -0.734) 0.794 6.154 ( -1.010 -0.000 -4.310) 4.427 6.246 ( 4.955 -0.000 -0.156) 4.958 6.404 ( -2.075 0.000 -0.275) 2.093 6.434 ( -0.132 -0.000 -4.501) 4.503 6.511 ( -3.661 -0.000 -8.258) 9.033 6.904 ( 1.963 0.000 3.798) 4.276 7.008 ( 3.472 0.000 3.835) 5.173 7.115 ( -1.205 0.000 1.930) 2.275 7.759 ( -5.621 -0.000 -6.569) 8.646 7.907 ( -1.807 -0.000 -6.086) 6.348 7.984 ( -6.004 -0.000 -2.345) 6.445 8.048 ( -0.658 0.000 2.372) 2.462 8.302 ( -1.953 0.000 9.999) 10.188 8.361 ( -2.993 0.000 3.114) 4.319 8.577 ( 0.946 -0.000 0.061) 0.948 8.882 ( 1.160 0.000 1.887) 2.215 8.982 ( 7.770 -0.000 -1.081) 7.845 9.108 ( 0.520 0.000 0.687) 0.861 9.141 ( -1.551 0.000 1.078) 1.889 9.454 ( 1.108 0.000 2.419) 2.660 ======================= Grid point 158 (52/75) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -4.420 -4.420 -17.500) 18.582 1.321 ( -4.815 -4.815 -18.781) 19.978 2.053 ( 0.274 0.274 2.178) 2.212 2.101 ( -2.684 -2.684 -3.641) 5.260 2.252 ( -0.351 -0.351 -6.775) 6.794 2.337 ( 0.832 0.832 3.881) 4.056 2.356 ( -0.852 -0.852 0.758) 1.423 2.594 ( 2.670 2.670 3.531) 5.170 2.633 ( 1.395 1.395 -8.744) 8.964 2.831 ( -4.516 -4.516 -10.120) 11.966 2.838 ( -4.246 -4.246 3.975) 7.201 3.021 ( 2.852 2.852 3.105) 5.090 3.081 ( -0.070 -0.070 8.553) 8.553 3.203 ( -2.287 -2.287 -3.072) 4.461 3.627 ( 2.104 2.104 1.724) 3.438 3.837 ( 0.885 0.885 3.917) 4.112 3.846 ( 0.157 0.157 4.469) 4.474 4.045 ( 0.924 0.924 -3.294) 3.544 5.810 ( 2.521 2.521 0.205) 3.571 5.836 ( 0.903 0.903 -0.441) 1.351 5.905 ( 4.073 4.073 -3.001) 6.496 5.971 ( 1.502 1.502 -1.545) 2.627 6.140 ( -2.111 -2.111 -4.826) 5.675 6.314 ( 2.874 2.874 -0.983) 4.181 6.350 ( 1.105 1.105 -1.017) 1.864 6.443 ( -0.692 -0.692 -3.067) 3.219 6.482 ( -2.833 -2.833 -10.063) 10.831 6.918 ( 1.200 1.200 7.132) 7.331 7.044 ( 2.569 2.569 1.256) 3.844 7.094 ( -0.269 -0.269 3.291) 3.313 7.714 ( -3.895 -3.895 -6.958) 8.874 7.914 ( -1.229 -1.229 -5.482) 5.751 7.933 ( -3.122 -3.122 -4.955) 6.636 8.039 ( -0.772 -0.772 2.493) 2.721 8.293 ( -3.474 -3.474 14.215) 15.040 8.333 ( -0.865 -0.865 1.134) 1.668 8.585 ( 0.252 0.252 -0.567) 0.669 8.887 ( 0.487 0.487 2.117) 2.226 9.045 ( 4.062 4.062 -0.721) 5.790 9.114 ( -0.098 -0.098 1.257) 1.265 9.126 ( -0.618 -0.618 1.362) 1.618 9.458 ( 1.811 1.811 2.310) 3.449 ======================= Grid point 159 (53/75) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -5.835 -0.000 -20.956) 21.753 1.028 ( -8.875 -0.000 -20.052) 21.928 1.832 ( -8.672 -0.000 -30.101) 31.326 2.078 ( 0.238 0.000 1.256) 1.278 2.197 ( 1.459 -0.000 -0.476) 1.535 2.364 ( 0.713 0.000 2.248) 2.359 2.383 ( -1.843 0.000 1.204) 2.201 2.519 ( 0.903 -0.000 -5.270) 5.347 2.694 ( 3.788 0.000 3.133) 4.916 2.751 ( -0.779 0.000 0.197) 0.804 2.868 ( -5.850 0.000 6.053) 8.418 3.015 ( 2.766 -0.000 -6.132) 6.727 3.209 ( 0.077 0.000 8.948) 8.948 3.217 ( -1.048 0.000 6.772) 6.852 3.667 ( 1.936 0.000 2.021) 2.799 3.877 ( 1.699 0.000 1.566) 2.311 3.883 ( 0.671 -0.000 -0.096) 0.678 3.993 ( -0.755 -0.000 -4.630) 4.691 5.818 ( 2.031 -0.000 -1.043) 2.283 5.829 ( 0.669 -0.000 -1.703) 1.830 5.909 ( 6.065 -0.000 -0.825) 6.121 5.988 ( 0.086 0.000 1.284) 1.287 6.058 ( -4.290 -0.000 -3.174) 5.337 6.284 ( 0.048 -0.000 -7.075) 7.075 6.320 ( 0.766 -0.000 -5.207) 5.263 6.369 ( -0.906 -0.000 -1.716) 1.940 6.390 ( -1.512 -0.000 -3.751) 4.044 7.026 ( 4.552 0.000 6.197) 7.689 7.092 ( 2.486 0.000 2.330) 3.408 7.128 ( -1.294 0.000 2.457) 2.777 7.594 ( -4.571 -0.000 -6.495) 7.942 7.803 ( -0.584 -0.000 -6.719) 6.745 7.838 ( -5.296 -0.000 -6.097) 8.075 8.066 ( -1.391 0.000 1.975) 2.415 8.344 ( 0.141 0.000 1.410) 1.417 8.465 ( -2.610 0.000 13.569) 13.818 8.579 ( 0.132 -0.000 -0.473) 0.491 8.913 ( -0.049 0.000 1.574) 1.574 9.065 ( 6.213 -0.000 -0.984) 6.291 9.140 ( 0.760 0.000 2.265) 2.389 9.153 ( -0.810 0.000 2.624) 2.746 9.501 ( 1.207 0.000 1.806) 2.172 ======================= Grid point 168 (54/75) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -0.000 -0.000 -23.406) 23.406 0.652 ( -0.000 -0.000 -23.406) 23.406 1.251 ( -0.000 -0.000 -42.571) 42.571 2.095 ( 0.000 0.000 0.847) 0.847 2.224 ( 0.000 0.000 2.182) 2.182 2.384 ( 0.000 0.000 0.770) 0.770 2.384 ( 0.000 0.000 0.770) 0.770 2.468 ( -0.000 -0.000 -3.105) 3.105 2.754 ( 0.000 0.000 0.694) 0.694 2.754 ( 0.000 0.000 0.694) 0.694 2.939 ( -0.000 -0.000 -5.174) 5.174 2.947 ( 0.000 0.000 9.343) 9.343 3.322 ( 0.000 0.000 7.451) 7.451 3.322 ( 0.000 0.000 7.451) 7.451 3.709 ( 0.000 0.000 2.047) 2.047 3.890 ( -0.000 -0.000 -0.896) 0.896 3.890 ( -0.000 -0.000 -0.896) 0.896 3.891 ( -0.000 -0.000 -7.505) 7.505 5.807 ( -0.000 -0.000 -1.719) 1.719 5.807 ( -0.000 -0.000 -1.719) 1.719 5.920 ( -0.000 -0.000 -4.359) 4.359 6.019 ( 0.000 0.000 2.604) 2.604 6.019 ( 0.000 0.000 2.604) 2.604 6.130 ( -0.000 -0.000 -8.636) 8.636 6.299 ( -0.000 -0.000 -3.976) 3.976 6.334 ( -0.000 -0.000 -2.582) 2.582 6.334 ( -0.000 -0.000 -2.582) 2.582 7.127 ( 0.000 0.000 0.496) 0.496 7.127 ( 0.000 0.000 0.496) 0.496 7.179 ( 0.000 0.000 7.983) 7.983 7.481 ( -0.000 -0.000 -4.843) 4.843 7.716 ( -0.000 -0.000 -5.105) 5.105 7.716 ( -0.000 -0.000 -5.105) 5.105 8.068 ( 0.000 0.000 0.100) 0.100 8.371 ( 0.000 0.000 2.233) 2.233 8.573 ( -0.000 -0.000 -0.539) 0.539 8.617 ( 0.000 0.000 10.965) 10.965 8.932 ( 0.000 0.000 1.610) 1.610 9.107 ( -0.000 -0.000 -0.953) 0.953 9.178 ( 0.000 0.000 2.182) 2.182 9.178 ( 0.000 0.000 2.182) 2.182 9.530 ( 0.000 0.000 1.043) 1.043 ======================= Grid point 189 (55/75) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 1.734 1.734 3.720) 4.456 1.758 ( 1.967 1.967 1.475) 3.149 2.087 ( 1.547 1.547 2.517) 3.335 2.105 ( 1.008 1.008 -1.910) 2.383 2.254 ( 0.399 0.399 2.177) 2.249 2.261 ( -0.107 -0.107 0.174) 0.231 2.417 ( -2.607 -2.607 -3.300) 4.948 2.417 ( -2.187 -2.187 -2.400) 3.915 2.876 ( 3.021 3.021 1.028) 4.394 2.898 ( 0.956 0.956 -0.839) 1.591 3.082 ( -0.332 -0.332 -0.094) 0.478 3.094 ( -0.834 -0.834 0.720) 1.382 3.292 ( 1.519 1.519 0.509) 2.207 3.325 ( 0.198 0.198 0.285) 0.400 3.518 ( 6.949 6.949 8.365) 12.905 3.684 ( -3.447 -3.447 0.369) 4.889 3.797 ( -0.457 -0.457 -6.251) 6.284 3.831 ( -3.683 -3.683 -0.314) 5.219 5.651 ( 0.848 0.848 0.816) 1.451 5.696 ( -2.157 -2.157 3.144) 4.381 5.751 ( -0.086 -0.086 -1.913) 1.917 5.771 ( -1.560 -1.560 -3.607) 4.228 6.167 ( -0.060 -0.060 1.435) 1.437 6.168 ( 0.130 0.130 1.249) 1.262 6.273 ( -0.157 -0.157 -0.478) 0.527 6.302 ( -2.159 -2.159 0.317) 3.069 6.757 ( 4.022 4.022 1.344) 5.845 6.853 ( -2.455 -2.455 0.216) 3.478 6.931 ( 0.178 0.178 -0.290) 0.384 6.951 ( -1.690 -1.690 -3.234) 4.021 8.041 ( 2.148 2.148 7.638) 8.219 8.053 ( 0.840 0.840 5.901) 6.019 8.187 ( 0.642 0.642 -5.360) 5.436 8.204 ( -0.991 -0.991 -6.343) 6.496 8.462 ( 3.965 3.965 2.233) 6.035 8.574 ( -3.748 -3.748 4.783) 7.139 8.640 ( 3.084 3.084 -2.016) 4.805 8.660 ( 1.072 1.072 -1.779) 2.338 8.930 ( 2.075 2.075 -2.157) 3.642 9.042 ( -4.698 -4.698 3.185) 7.367 9.144 ( 0.300 0.300 -1.127) 1.204 9.164 ( -1.654 -1.654 -3.632) 4.320 ======================= Grid point 194 (56/75) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 19.113 -0.000 0.000) 19.113 1.214 ( 18.968 -0.000 0.000) 18.968 1.912 ( 10.942 -0.000 0.000) 10.942 1.959 ( -4.698 0.000 -0.000) 4.698 2.364 ( 18.276 -0.000 0.000) 18.276 2.403 ( -0.293 0.000 -0.000) 0.293 2.425 ( -1.082 0.000 -0.000) 1.082 2.480 ( -3.431 0.000 -0.000) 3.431 2.723 ( 2.754 -0.000 0.000) 2.754 2.749 ( -1.630 0.000 -0.000) 1.630 2.831 ( 0.420 -0.000 0.000) 0.420 3.105 ( -8.944 0.000 -0.000) 8.944 3.224 ( 7.642 -0.000 0.000) 7.642 3.284 ( -10.604 0.000 -0.000) 10.604 3.558 ( -5.327 0.000 -0.000) 5.327 3.703 ( -0.008 0.000 -0.000) 0.008 3.832 ( 1.138 -0.000 0.000) 1.138 4.003 ( -0.701 0.000 -0.000) 0.701 5.686 ( -1.114 0.000 -0.000) 1.114 5.831 ( 2.896 -0.000 0.000) 2.896 5.879 ( -2.715 0.000 -0.000) 2.715 6.119 ( 4.270 -0.000 0.000) 4.270 6.166 ( -1.525 0.000 -0.000) 1.525 6.239 ( 3.267 -0.000 0.000) 3.267 6.289 ( 0.500 -0.000 0.000) 0.500 6.341 ( 2.058 -0.000 0.000) 2.058 6.401 ( 8.071 -0.000 0.000) 8.071 6.921 ( -3.775 0.000 -0.000) 3.775 6.970 ( -3.460 0.000 -0.000) 3.460 7.099 ( -2.962 0.000 -0.000) 2.962 7.801 ( 8.761 -0.000 0.000) 8.761 7.802 ( 3.909 -0.000 0.000) 3.909 8.086 ( -8.750 0.000 -0.000) 8.750 8.131 ( -3.090 0.000 -0.000) 3.090 8.179 ( 1.826 -0.000 0.000) 1.826 8.442 ( -0.883 0.000 -0.000) 0.883 8.583 ( -5.329 0.000 -0.000) 5.329 8.645 ( 8.773 -0.000 0.000) 8.773 9.024 ( -5.954 0.000 -0.000) 5.954 9.208 ( 2.018 -0.000 0.000) 2.018 9.244 ( 0.205 -0.000 0.000) 0.205 9.508 ( -3.342 0.000 -0.000) 3.342 ======================= Grid point 203 (57/75) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 15.961 -3.517 0.000) 16.344 1.476 ( 15.702 -3.159 0.000) 16.016 1.903 ( -2.333 0.863 -0.000) 2.488 2.016 ( 2.283 -3.006 0.000) 3.775 2.331 ( -4.776 5.601 -0.000) 7.361 2.414 ( -1.539 -2.467 0.000) 2.908 2.464 ( -2.227 -2.597 0.000) 3.421 2.545 ( 4.459 2.174 0.000) 4.960 2.737 ( 1.832 -3.618 0.000) 4.056 2.815 ( 5.573 -0.090 0.000) 5.574 2.874 ( 3.302 -2.683 0.000) 4.255 2.993 ( -6.145 -1.864 -0.000) 6.422 3.130 ( -7.685 3.332 -0.000) 8.376 3.334 ( 6.927 -0.913 0.000) 6.987 3.478 ( -4.219 1.756 -0.000) 4.570 3.689 ( -1.336 1.122 -0.000) 1.744 3.851 ( 0.323 -1.138 0.000) 1.183 3.977 ( -1.894 1.124 -0.000) 2.202 5.682 ( 1.615 0.836 0.000) 1.819 5.822 ( -0.482 4.123 -0.000) 4.152 5.877 ( 4.049 0.475 0.000) 4.077 6.111 ( -0.965 4.486 -0.000) 4.589 6.173 ( 3.722 0.884 0.000) 3.825 6.279 ( 3.859 2.058 0.000) 4.374 6.288 ( 1.972 2.368 -0.000) 3.082 6.335 ( 3.518 4.543 -0.000) 5.746 6.568 ( 7.248 -6.585 0.000) 9.793 6.883 ( -2.786 -1.061 -0.000) 2.981 6.933 ( -2.825 -0.903 -0.000) 2.966 7.046 ( -3.424 1.106 -0.000) 3.598 7.828 ( 5.533 5.447 0.000) 7.764 7.894 ( -2.430 -7.299 0.000) 7.693 8.044 ( -2.286 -0.614 -0.000) 2.367 8.061 ( -4.123 -0.987 -0.000) 4.239 8.221 ( -2.464 -6.591 0.000) 7.036 8.417 ( -5.073 -1.485 -0.000) 5.286 8.546 ( 0.374 -0.983 0.000) 1.052 8.782 ( 8.054 -0.474 0.000) 8.068 8.941 ( -2.871 1.570 -0.000) 3.272 9.210 ( -0.038 2.431 -0.000) 2.431 9.256 ( 0.909 -1.097 0.000) 1.424 9.433 ( -4.288 2.647 -0.000) 5.040 ======================= Grid point 204 (58/75) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 16.617 0.000 3.489) 16.979 1.491 ( 15.536 0.000 5.097) 16.350 1.909 ( -2.155 0.000 -0.021) 2.156 2.014 ( 2.403 0.000 2.963) 3.815 2.326 ( -5.062 -0.000 -6.173) 7.983 2.403 ( -1.481 0.000 0.274) 1.506 2.455 ( -0.908 0.000 1.657) 1.890 2.596 ( 5.012 0.000 3.999) 6.412 2.695 ( -4.495 -0.000 -0.997) 4.604 2.792 ( 3.981 -0.000 -3.550) 5.334 2.880 ( 8.058 0.000 3.432) 8.759 2.991 ( -7.079 0.000 1.288) 7.195 3.149 ( -5.899 0.000 -0.285) 5.906 3.331 ( 6.604 -0.000 0.405) 6.617 3.498 ( -3.113 0.000 0.799) 3.214 3.700 ( -1.766 0.000 1.239) 2.157 3.811 ( -0.771 -0.000 -4.520) 4.585 4.002 ( -1.164 0.000 1.985) 2.302 5.686 ( 1.381 -0.000 -0.218) 1.398 5.843 ( -1.423 -0.000 -0.879) 1.673 5.884 ( 4.643 -0.000 0.069) 4.643 6.129 ( 1.273 -0.000 -3.990) 4.188 6.167 ( 1.496 -0.000 0.145) 1.503 6.248 ( 2.630 -0.000 -2.052) 3.336 6.319 ( 3.867 -0.000 -2.792) 4.769 6.398 ( 3.444 0.000 3.978) 5.262 6.544 ( 7.579 0.000 4.182) 8.656 6.828 ( -3.255 -0.000 -4.239) 5.345 6.979 ( -2.591 0.000 4.838) 5.488 7.058 ( -3.216 0.000 0.542) 3.261 7.862 ( 0.494 0.000 3.034) 3.074 7.880 ( 4.709 -0.000 -2.225) 5.208 7.965 ( -5.543 0.000 0.036) 5.543 8.105 ( -1.846 0.000 -0.291) 1.869 8.208 ( -3.582 0.000 5.912) 6.912 8.399 ( -5.697 -0.000 -1.328) 5.850 8.540 ( 0.324 0.000 0.078) 0.334 8.771 ( 8.912 -0.000 -1.011) 8.969 8.950 ( -3.458 0.000 -0.363) 3.477 9.218 ( 0.835 -0.000 -1.228) 1.484 9.236 ( 0.361 -0.000 -1.726) 1.763 9.447 ( -4.564 0.000 -0.742) 4.624 ======================= Grid point 212 (59/75) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 10.005 -1.006 0.000) 10.055 1.683 ( 7.883 -0.055 0.000) 7.883 1.889 ( 3.613 -0.383 0.000) 3.633 2.016 ( -3.118 5.302 -0.000) 6.151 2.256 ( 0.667 -3.060 0.000) 3.132 2.366 ( -5.458 3.063 -0.000) 6.258 2.494 ( -1.011 -5.131 0.000) 5.230 2.536 ( -3.617 -2.075 -0.000) 4.170 2.768 ( -5.321 -6.559 0.000) 8.446 2.818 ( -8.977 -2.799 -0.000) 9.404 2.909 ( 5.286 -0.404 0.000) 5.301 3.001 ( -3.189 4.694 -0.000) 5.675 3.142 ( 10.958 -5.670 0.000) 12.338 3.328 ( -5.342 4.698 -0.000) 7.114 3.495 ( 8.557 -0.654 0.000) 8.582 3.621 ( -1.947 5.874 -0.000) 6.189 3.880 ( 0.417 -2.614 0.000) 2.647 3.929 ( -2.653 1.193 -0.000) 2.909 5.707 ( 3.828 0.979 0.000) 3.951 5.758 ( 0.365 4.858 -0.000) 4.871 5.941 ( 6.117 0.386 0.000) 6.129 6.026 ( -0.251 6.397 -0.000) 6.402 6.210 ( 4.651 1.727 0.000) 4.962 6.253 ( 1.871 5.132 -0.000) 5.463 6.308 ( 4.303 2.877 0.000) 5.176 6.323 ( 3.688 4.616 -0.000) 5.908 6.740 ( 4.402 -6.304 0.000) 7.689 6.847 ( -4.230 0.718 -0.000) 4.291 6.933 ( -0.654 -3.049 0.000) 3.118 6.983 ( -3.810 0.686 -0.000) 3.872 7.834 ( 3.156 -0.017 0.000) 3.156 7.920 ( -3.572 4.653 -0.000) 5.866 7.996 ( -1.060 -7.783 0.000) 7.855 8.068 ( -5.135 -2.500 -0.000) 5.711 8.287 ( -2.919 -8.094 0.000) 8.604 8.355 ( -7.490 -2.534 -0.000) 7.907 8.621 ( 4.734 -3.958 0.000) 6.170 8.752 ( -5.358 3.999 -0.000) 6.685 9.010 ( 9.783 -1.062 0.000) 9.841 9.143 ( -0.942 6.708 -0.000) 6.774 9.289 ( 0.588 -2.324 0.000) 2.397 9.344 ( -3.646 1.815 -0.000) 4.073 ======================= Grid point 213 (60/75) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 13.052 -0.596 1.711) 13.177 1.694 ( 11.895 -0.985 3.353) 12.398 1.901 ( 1.937 0.458 0.428) 2.036 2.052 ( 1.051 -1.418 2.221) 2.837 2.234 ( -4.799 2.217 -5.073) 7.327 2.359 ( -3.461 0.617 -0.879) 3.623 2.472 ( -2.219 -4.064 3.332) 5.705 2.532 ( -4.324 3.053 0.604) 5.327 2.680 ( -6.917 -6.217 0.356) 9.307 2.771 ( -7.619 -1.920 -1.951) 8.096 2.918 ( 1.289 1.666 0.046) 2.107 3.014 ( 0.141 -0.803 -2.606) 2.730 3.148 ( 8.867 -0.601 6.697) 11.128 3.382 ( -0.047 0.834 1.962) 2.132 3.502 ( 6.219 1.518 0.091) 6.402 3.666 ( -2.301 1.131 0.227) 2.574 3.802 ( -1.147 -0.900 -6.285) 6.452 3.977 ( -1.206 0.975 3.147) 3.508 5.715 ( 3.171 0.431 -0.175) 3.205 5.810 ( -0.712 2.567 -0.129) 2.667 5.948 ( 6.055 0.979 -0.201) 6.137 6.096 ( -0.507 4.021 -0.753) 4.122 6.200 ( 3.961 2.090 -3.563) 5.723 6.280 ( 3.983 2.057 -2.417) 5.093 6.366 ( 5.097 2.753 -1.728) 6.045 6.417 ( 4.033 4.085 4.180) 7.101 6.669 ( 4.943 -4.784 2.496) 7.318 6.802 ( -2.616 -1.902 -3.874) 5.047 6.943 ( -2.829 0.180 3.737) 4.690 7.007 ( -3.217 0.447 1.900) 3.763 7.833 ( -2.354 0.004 0.280) 2.371 7.910 ( -1.487 -2.100 -1.838) 3.163 7.950 ( 0.102 -0.308 0.821) 0.883 8.094 ( -3.244 -2.213 3.613) 5.336 8.193 ( -3.123 -5.001 2.980) 6.607 8.316 ( -7.574 -1.646 -1.541) 7.903 8.583 ( 3.989 -1.684 -0.118) 4.332 8.798 ( -3.065 2.199 0.353) 3.789 8.987 ( 8.400 -0.082 -1.913) 8.615 9.208 ( -0.067 2.195 0.082) 2.197 9.247 ( 0.103 -1.403 -2.193) 2.605 9.365 ( -4.642 2.067 -0.472) 5.103 ======================= Grid point 214 (61/75) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 11.586 -0.000 2.030) 11.762 1.742 ( 10.437 0.000 3.853) 11.126 1.904 ( 2.268 -0.000 0.331) 2.292 2.063 ( -0.636 -0.000 -0.791) 1.014 2.170 ( -3.963 -0.000 -2.901) 4.911 2.363 ( -2.750 -0.000 -2.941) 4.026 2.473 ( -2.676 0.000 3.391) 4.320 2.592 ( -6.539 0.000 -0.055) 6.539 2.654 ( -4.690 0.000 4.393) 6.426 2.726 ( -2.558 -0.000 -1.137) 2.799 2.938 ( -2.174 -0.000 -1.604) 2.702 2.970 ( -1.410 0.000 0.427) 1.473 3.243 ( 8.373 0.000 6.873) 10.833 3.407 ( 4.611 0.000 1.582) 4.875 3.516 ( 3.611 -0.000 -0.456) 3.639 3.658 ( -3.227 -0.000 -6.104) 6.904 3.719 ( -2.540 -0.000 -0.721) 2.641 4.023 ( -0.185 0.000 2.421) 2.428 5.715 ( 3.231 -0.000 -0.173) 3.235 5.821 ( -0.253 -0.000 -0.670) 0.717 5.950 ( 6.039 -0.000 -1.539) 6.232 6.085 ( 1.893 -0.000 -4.895) 5.248 6.190 ( 2.017 -0.000 -0.165) 2.024 6.260 ( 3.273 -0.000 -2.613) 4.188 6.351 ( 4.503 -0.000 -0.595) 4.542 6.485 ( 2.499 0.000 1.812) 3.087 6.685 ( 4.170 0.000 1.510) 4.435 6.750 ( -1.428 0.000 0.417) 1.488 6.991 ( -2.744 0.000 0.903) 2.889 7.042 ( -2.279 0.000 3.189) 3.919 7.841 ( -3.182 0.000 -0.393) 3.206 7.898 ( -4.019 0.000 4.557) 6.076 7.978 ( 3.131 0.000 2.001) 3.715 8.054 ( -3.694 -0.000 -1.452) 3.969 8.259 ( -3.600 0.000 5.890) 6.903 8.273 ( -6.740 -0.000 -1.853) 6.990 8.567 ( 2.938 -0.000 -0.533) 2.986 8.819 ( -0.354 0.000 0.501) 0.613 8.957 ( 6.630 -0.000 -2.382) 7.045 9.193 ( 0.015 -0.000 -3.400) 3.400 9.214 ( -0.427 -0.000 -1.685) 1.738 9.382 ( -3.595 0.000 0.508) 3.631 ======================= Grid point 221 (62/75) ======================= q-point: ( 0.56 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 4.761 4.761 0.133) 6.734 1.766 ( 4.842 4.842 1.830) 7.089 1.975 ( 2.251 2.251 1.604) 3.565 2.006 ( 2.498 2.498 3.018) 4.646 2.225 ( -2.858 -2.858 -6.542) 7.690 2.291 ( -1.876 -1.876 0.187) 2.659 2.463 ( -3.028 -3.028 1.887) 4.680 2.509 ( -3.431 -3.431 1.854) 5.194 2.672 ( -7.502 -7.502 -0.269) 10.613 2.712 ( -6.177 -6.177 1.281) 8.829 2.929 ( 1.565 1.565 -3.480) 4.124 2.997 ( 0.437 0.437 0.113) 0.628 3.267 ( 2.280 2.280 2.392) 4.015 3.335 ( 2.426 2.426 6.402) 7.263 3.589 ( 1.946 1.946 -0.968) 2.918 3.599 ( 2.309 2.309 -0.170) 3.270 3.805 ( -1.102 -1.102 -7.475) 7.636 3.958 ( -0.012 -0.012 4.263) 4.263 5.750 ( 2.223 2.223 -0.742) 3.230 5.769 ( 1.576 1.576 0.757) 2.353 6.018 ( 3.694 3.694 -1.119) 5.342 6.028 ( 2.641 2.641 0.370) 3.753 6.212 ( 3.494 3.494 -4.706) 6.824 6.295 ( 4.205 4.205 -2.130) 6.317 6.380 ( 4.315 4.315 -0.092) 6.103 6.413 ( 4.743 4.743 3.922) 7.770 6.771 ( -1.706 -1.706 -0.428) 2.450 6.783 ( -1.624 -1.624 -0.520) 2.354 6.909 ( -2.025 -2.025 -0.151) 2.868 6.980 ( -1.104 -1.104 4.191) 4.472 7.839 ( -0.818 -0.818 -3.975) 4.140 7.862 ( -0.523 -0.523 -0.201) 0.767 8.002 ( -4.564 -4.564 4.252) 7.729 8.060 ( -1.178 -1.178 5.112) 5.376 8.235 ( -5.668 -5.668 -1.503) 8.155 8.253 ( -4.643 -4.643 0.527) 6.587 8.659 ( 0.128 0.128 -2.037) 2.045 8.720 ( 1.098 1.098 2.433) 2.886 9.073 ( 3.384 3.384 -4.241) 6.394 9.176 ( 2.644 2.644 2.469) 4.481 9.274 ( -1.461 -1.461 -2.451) 3.206 9.296 ( -0.918 -0.918 -0.283) 1.329 ======================= Grid point 223 (63/75) ======================= q-point: (-0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 6.364 2.116 -3.260) 7.457 1.844 ( 5.407 1.877 0.549) 5.750 1.989 ( 7.287 -2.227 1.829) 7.837 2.062 ( -1.795 -1.615 -5.997) 6.465 2.124 ( -0.709 2.436 3.058) 3.974 2.287 ( -5.268 1.141 -0.973) 5.477 2.445 ( -5.657 -4.406 -0.607) 7.196 2.496 ( -4.828 -0.263 3.766) 6.129 2.629 ( -3.233 -3.754 4.924) 6.985 2.684 ( -5.331 -1.968 3.298) 6.571 2.907 ( 0.123 1.353 -2.103) 2.504 2.968 ( -1.558 -1.749 -2.107) 3.151 3.335 ( 5.557 1.443 3.068) 6.510 3.459 ( 3.350 1.497 5.929) 6.972 3.551 ( 0.854 -1.356 -4.806) 5.066 3.631 ( -1.385 0.927 -0.059) 1.667 3.692 ( 0.035 0.250 -5.341) 5.347 4.019 ( 0.679 1.007 3.244) 3.464 5.759 ( 3.427 0.532 -0.053) 3.469 5.805 ( -0.093 1.740 0.304) 1.769 6.021 ( 6.276 1.790 -2.089) 6.852 6.078 ( 1.362 3.739 -2.313) 4.603 6.210 ( 3.009 2.300 -1.331) 4.014 6.300 ( 4.008 1.922 -3.016) 5.371 6.402 ( 3.634 1.529 -2.592) 4.718 6.498 ( 2.451 2.438 0.752) 3.538 6.733 ( 0.276 -2.857 -2.100) 3.557 6.756 ( 0.238 -0.806 2.803) 2.927 6.936 ( -2.191 1.821 2.743) 3.955 7.020 ( -1.614 -0.707 2.803) 3.311 7.787 ( -3.997 -1.289 0.370) 4.216 7.877 ( -0.429 0.144 2.375) 2.418 7.994 ( -2.775 -3.054 2.394) 4.771 8.068 ( -0.652 -4.720 -0.372) 4.780 8.170 ( -7.265 -0.772 -0.479) 7.322 8.235 ( -3.448 -2.293 4.480) 6.101 8.621 ( 2.790 -0.899 -1.728) 3.403 8.787 ( -0.185 2.538 2.110) 3.306 9.047 ( 5.573 1.084 -3.231) 6.532 9.190 ( -0.876 -0.304 -2.741) 2.894 9.209 ( -0.950 -1.358 -2.902) 3.342 9.329 ( -0.959 2.287 2.376) 3.435 ======================= Grid point 224 (64/75) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 1.702 -0.000 -8.539) 8.707 1.768 ( -0.711 -0.000 -10.589) 10.613 1.978 ( 1.345 0.000 0.363) 1.393 2.052 ( 7.272 0.000 4.341) 8.469 2.197 ( 0.613 0.000 3.916) 3.964 2.268 ( -3.773 -0.000 -1.349) 4.007 2.425 ( -6.832 0.000 0.386) 6.843 2.532 ( -4.980 0.000 2.303) 5.487 2.664 ( 1.499 0.000 3.056) 3.404 2.751 ( -2.810 0.000 6.441) 7.027 2.897 ( -0.204 -0.000 -0.534) 0.572 2.943 ( -3.468 0.000 1.762) 3.890 3.344 ( 2.711 -0.000 -3.140) 4.148 3.383 ( -5.396 -0.000 -16.175) 17.052 3.545 ( 5.825 0.000 4.562) 7.399 3.636 ( 5.268 0.000 1.838) 5.580 3.721 ( -3.445 0.000 6.022) 6.937 4.059 ( 1.360 0.000 1.391) 1.945 5.766 ( 3.853 -0.000 0.326) 3.867 5.819 ( 0.514 0.000 0.190) 0.549 5.991 ( 6.655 -0.000 -5.377) 8.556 6.056 ( 2.432 -0.000 -3.877) 4.576 6.223 ( 2.100 0.000 0.505) 2.160 6.270 ( 3.959 -0.000 -2.772) 4.834 6.388 ( 0.407 -0.000 -0.235) 0.470 6.507 ( 0.389 -0.000 -1.283) 1.341 6.680 ( 2.219 -0.000 -2.874) 3.631 6.806 ( -1.765 0.000 3.619) 4.026 6.963 ( 0.811 -0.000 -0.284) 0.860 7.054 ( -2.431 0.000 2.623) 3.576 7.821 ( -3.931 0.000 4.531) 5.999 7.925 ( -0.567 0.000 3.600) 3.645 7.968 ( -4.910 -0.000 -1.515) 5.138 8.038 ( 0.619 0.000 1.819) 1.922 8.139 ( -6.111 -0.000 -1.963) 6.419 8.295 ( -3.986 0.000 4.580) 6.071 8.593 ( 2.739 -0.000 -1.414) 3.082 8.831 ( 0.550 0.000 1.739) 1.824 9.019 ( 6.405 -0.000 -2.018) 6.715 9.140 ( -0.847 -0.000 -2.973) 3.091 9.164 ( -2.098 -0.000 -2.538) 3.293 9.384 ( 0.078 0.000 2.768) 2.769 ======================= Grid point 232 (65/75) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 1.066 1.066 -11.624) 11.721 1.775 ( -2.177 -2.177 -13.679) 14.022 1.990 ( 1.238 1.238 1.432) 2.262 2.110 ( 1.026 1.026 0.853) 1.683 2.209 ( 3.452 3.452 4.952) 6.954 2.240 ( -1.679 -1.679 2.520) 3.462 2.360 ( -3.951 -3.951 0.239) 5.592 2.496 ( -3.165 -3.165 4.019) 6.015 2.688 ( 0.442 0.442 3.992) 4.040 2.714 ( -1.232 -1.232 6.721) 6.943 2.897 ( -0.215 -0.215 1.759) 1.785 2.923 ( -1.728 -1.728 -0.251) 2.457 3.341 ( -3.278 -3.278 -17.521) 18.124 3.368 ( 1.868 1.868 -5.165) 5.801 3.594 ( 3.201 3.201 3.044) 5.456 3.671 ( -0.371 -0.371 6.638) 6.659 3.687 ( -0.007 -0.007 3.530) 3.530 4.070 ( 1.307 1.307 1.602) 2.446 5.799 ( 1.905 1.905 0.373) 2.719 5.817 ( 0.622 0.622 0.917) 1.271 6.039 ( 4.454 4.454 -5.585) 8.418 6.073 ( 2.238 2.238 -3.429) 4.667 6.236 ( 1.723 1.723 -0.909) 2.601 6.315 ( 2.130 2.130 -0.721) 3.097 6.374 ( -0.352 -0.352 -3.196) 3.234 6.506 ( 0.194 0.194 -1.748) 1.769 6.732 ( 1.263 1.263 -5.769) 6.040 6.758 ( -0.802 -0.802 4.104) 4.258 6.988 ( 0.418 0.418 4.558) 4.596 7.017 ( -0.973 -0.973 0.797) 1.590 7.791 ( -2.231 -2.231 5.281) 6.151 7.923 ( 1.189 1.189 2.655) 3.143 7.934 ( -3.690 -3.690 -0.691) 5.264 8.059 ( -1.570 -1.570 -1.521) 2.691 8.085 ( -4.185 -4.185 0.890) 5.985 8.261 ( -2.025 -2.025 4.405) 5.254 8.618 ( 0.870 0.870 -1.866) 2.235 8.834 ( 1.828 1.828 2.043) 3.295 9.066 ( 2.575 2.575 -1.615) 3.984 9.135 ( -0.958 -0.958 -2.719) 3.038 9.146 ( -1.533 -1.533 -2.705) 3.467 9.382 ( 1.415 1.415 3.295) 3.855 ======================= Grid point 233 (66/75) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -2.370 -0.000 -17.037) 17.201 1.535 ( -3.046 -0.000 -16.907) 17.179 2.025 ( 1.169 0.000 2.105) 2.408 2.110 ( -1.939 -0.000 -0.495) 2.001 2.269 ( 2.221 0.000 2.765) 3.547 2.290 ( 2.655 0.000 2.666) 3.763 2.352 ( -4.280 0.000 0.793) 4.353 2.540 ( 0.084 0.000 5.249) 5.250 2.726 ( 1.906 0.000 0.550) 1.984 2.763 ( -2.602 0.000 1.130) 2.837 2.951 ( 0.840 0.000 6.981) 7.031 2.963 ( -0.959 0.000 6.508) 6.579 3.036 ( -5.708 -0.000 -21.552) 22.295 3.280 ( -0.145 -0.000 -7.973) 7.975 3.629 ( 2.897 -0.000 0.362) 2.919 3.757 ( 1.959 0.000 6.773) 7.050 3.779 ( -1.508 0.000 6.790) 6.956 4.084 ( 1.353 -0.000 -1.030) 1.701 5.821 ( 2.771 0.000 0.807) 2.886 5.836 ( 0.603 0.000 0.904) 1.086 5.997 ( 5.772 -0.000 -5.658) 8.083 6.030 ( 1.570 -0.000 -4.203) 4.487 6.198 ( -1.498 -0.000 -5.351) 5.557 6.321 ( 4.853 -0.000 0.493) 4.878 6.372 ( -1.776 0.000 0.898) 1.990 6.473 ( -0.987 -0.000 -2.692) 2.867 6.614 ( -0.442 -0.000 -10.849) 10.858 6.832 ( -0.399 0.000 6.227) 6.240 7.022 ( 3.101 0.000 2.861) 4.219 7.059 ( -1.875 0.000 2.978) 3.519 7.768 ( -4.173 -0.000 -4.914) 6.447 7.953 ( 1.218 0.000 0.627) 1.370 7.962 ( 0.803 0.000 0.574) 0.987 8.023 ( -2.548 -0.000 -1.646) 3.033 8.081 ( -6.209 0.000 8.802) 10.771 8.299 ( -2.041 0.000 2.868) 3.521 8.601 ( 1.114 -0.000 -1.329) 1.734 8.871 ( 1.404 0.000 1.397) 1.981 9.074 ( 3.692 -0.000 -0.176) 3.697 9.104 ( -0.480 -0.000 -0.485) 0.682 9.113 ( -1.665 -0.000 -0.486) 1.734 9.436 ( 1.215 0.000 2.931) 3.173 ======================= Grid point 242 (67/75) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.000 -0.000 -20.381) 20.381 1.252 ( -0.000 -0.000 -20.381) 20.381 2.051 ( -0.000 -0.000 -8.070) 8.070 2.058 ( 0.000 0.000 1.813) 1.813 2.254 ( -0.000 -0.000 -5.345) 5.345 2.347 ( 0.000 0.000 1.977) 1.977 2.347 ( 0.000 0.000 1.977) 1.977 2.667 ( 0.000 0.000 9.790) 9.790 2.680 ( -0.000 -0.000 -18.824) 18.824 2.743 ( -0.000 -0.000 -0.122) 0.122 2.743 ( -0.000 -0.000 -0.122) 0.122 3.081 ( 0.000 0.000 9.568) 9.568 3.081 ( 0.000 0.000 9.568) 9.568 3.153 ( -0.000 -0.000 -9.186) 9.186 3.657 ( 0.000 0.000 1.253) 1.253 3.848 ( 0.000 0.000 4.448) 4.448 3.848 ( 0.000 0.000 4.448) 4.448 4.059 ( -0.000 -0.000 -4.008) 4.008 5.848 ( -0.000 -0.000 -0.160) 0.160 5.848 ( -0.000 -0.000 -0.160) 0.160 5.992 ( -0.000 -0.000 -2.143) 2.143 5.992 ( -0.000 -0.000 -2.143) 2.143 6.083 ( -0.000 -0.000 -7.148) 7.148 6.371 ( 0.000 0.000 0.251) 0.251 6.371 ( 0.000 0.000 0.251) 0.251 6.415 ( -0.000 -0.000 -3.906) 3.906 6.433 ( -0.000 -0.000 -12.915) 12.915 6.939 ( 0.000 0.000 8.583) 8.583 7.086 ( 0.000 0.000 2.598) 2.598 7.086 ( 0.000 0.000 2.598) 2.598 7.649 ( -0.000 -0.000 -6.841) 6.841 7.902 ( -0.000 -0.000 -7.215) 7.215 7.902 ( -0.000 -0.000 -7.215) 7.215 8.023 ( 0.000 0.000 2.655) 2.655 8.232 ( 0.000 0.000 16.265) 16.265 8.321 ( 0.000 0.000 2.035) 2.035 8.591 ( -0.000 -0.000 -1.025) 1.025 8.895 ( 0.000 0.000 1.001) 1.001 9.108 ( 0.000 0.000 0.653) 0.653 9.112 ( 0.000 0.000 1.851) 1.851 9.112 ( 0.000 0.000 1.851) 1.851 9.483 ( 0.000 0.000 2.426) 2.426 ======================= Grid point 291 (68/75) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 15.674 -0.000 0.000) 15.674 1.661 ( 14.039 -0.000 0.000) 14.039 1.906 ( 1.836 -0.000 0.000) 1.836 2.020 ( 1.502 -0.000 0.000) 1.502 2.339 ( -5.431 0.000 -0.000) 5.431 2.364 ( -2.977 0.000 -0.000) 2.977 2.367 ( -2.236 0.000 -0.000) 2.236 2.589 ( -3.791 0.000 -0.000) 3.791 2.599 ( -9.443 0.000 -0.000) 9.443 2.771 ( -11.475 0.000 -0.000) 11.475 2.930 ( 1.946 -0.000 0.000) 1.946 3.050 ( 15.393 -0.000 0.000) 15.393 3.078 ( -3.369 0.000 -0.000) 3.369 3.374 ( 0.117 -0.000 0.000) 0.117 3.514 ( 6.372 -0.000 0.000) 6.372 3.668 ( -2.120 0.000 -0.000) 2.120 3.845 ( -0.072 0.000 -0.000) 0.072 3.958 ( -2.036 0.000 -0.000) 2.036 5.718 ( 2.871 -0.000 0.000) 2.871 5.829 ( -1.215 0.000 -0.000) 1.215 5.953 ( 5.338 -0.000 0.000) 5.338 6.119 ( -1.710 0.000 -0.000) 1.710 6.248 ( 5.948 -0.000 0.000) 5.948 6.348 ( 3.973 -0.000 0.000) 3.973 6.364 ( 5.683 -0.000 0.000) 5.683 6.450 ( 6.147 -0.000 0.000) 6.147 6.591 ( 4.272 -0.000 0.000) 4.272 6.838 ( -2.676 0.000 -0.000) 2.676 6.886 ( -2.791 0.000 -0.000) 2.791 7.002 ( -4.335 0.000 -0.000) 4.335 7.797 ( -3.300 0.000 -0.000) 3.300 7.940 ( 0.147 -0.000 0.000) 0.147 7.968 ( 2.145 -0.000 0.000) 2.145 8.079 ( -2.669 0.000 -0.000) 2.669 8.086 ( -5.851 0.000 -0.000) 5.851 8.315 ( -7.845 0.000 -0.000) 7.845 8.572 ( 4.295 -0.000 0.000) 4.295 8.811 ( -2.797 0.000 -0.000) 2.797 8.999 ( 8.809 -0.000 0.000) 8.809 9.223 ( -0.395 0.000 -0.000) 0.395 9.253 ( -0.290 0.000 -0.000) 0.290 9.382 ( -5.309 0.000 -0.000) 5.309 ======================= Grid point 300 (69/75) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 11.294 3.096 0.000) 11.710 1.817 ( 9.309 2.740 0.000) 9.704 1.956 ( 6.539 -0.160 0.000) 6.541 2.046 ( 0.457 1.374 -0.000) 1.448 2.229 ( -1.650 0.679 -0.000) 1.784 2.317 ( -5.729 1.857 -0.000) 6.022 2.394 ( -2.507 -5.526 0.000) 6.068 2.442 ( -7.057 -0.726 -0.000) 7.094 2.572 ( -8.744 -7.730 -0.000) 11.671 2.619 ( -12.601 -3.905 -0.000) 13.193 2.974 ( 4.148 0.101 0.000) 4.149 3.030 ( -0.933 2.964 -0.000) 3.107 3.236 ( 9.607 -1.605 0.000) 9.740 3.346 ( -0.935 3.956 -0.000) 4.065 3.592 ( 4.847 0.184 0.000) 4.850 3.641 ( -1.743 0.653 -0.000) 1.861 3.863 ( 1.729 -1.464 0.000) 2.266 3.918 ( -1.975 1.961 -0.000) 2.783 5.759 ( 3.063 -0.073 0.000) 3.064 5.800 ( -0.647 2.129 -0.000) 2.225 6.021 ( 4.674 -0.114 0.000) 4.675 6.080 ( -1.015 2.757 -0.000) 2.937 6.322 ( 7.186 2.375 0.000) 7.569 6.370 ( 3.999 5.525 -0.000) 6.821 6.425 ( 6.532 2.610 0.000) 7.034 6.469 ( 5.262 7.218 -0.000) 8.933 6.695 ( 2.158 -6.829 0.000) 7.162 6.794 ( -4.417 0.612 -0.000) 4.459 6.877 ( -1.141 -3.404 0.000) 3.590 6.934 ( -4.828 0.428 -0.000) 4.847 7.813 ( 0.704 -4.594 0.000) 4.648 7.923 ( -5.991 3.759 -0.000) 7.073 7.943 ( 1.106 -1.203 0.000) 1.634 7.988 ( -2.702 0.357 -0.000) 2.726 8.138 ( -2.648 -8.024 0.000) 8.449 8.217 ( -8.233 -1.750 -0.000) 8.417 8.653 ( 5.515 -1.565 0.000) 5.733 8.747 ( -2.859 3.322 -0.000) 4.383 9.121 ( 7.733 -0.375 0.000) 7.742 9.199 ( -0.425 2.905 -0.000) 2.936 9.257 ( -0.752 -2.170 0.000) 2.297 9.304 ( -4.512 0.952 -0.000) 4.611 ======================= Grid point 301 (70/75) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 11.796 -0.000 -0.460) 11.805 1.853 ( 11.377 -0.000 1.213) 11.441 1.958 ( 6.149 -0.000 0.093) 6.150 2.057 ( 1.552 0.000 2.410) 2.866 2.185 ( -4.577 -0.000 -7.825) 9.065 2.335 ( -3.470 0.000 -0.083) 3.471 2.376 ( -5.317 0.000 2.485) 5.869 2.479 ( -9.094 0.000 0.875) 9.136 2.504 ( -7.319 0.000 4.560) 8.623 2.622 ( -10.785 0.000 3.381) 11.303 2.956 ( 2.586 -0.000 -2.443) 3.557 3.010 ( -0.315 -0.000 -4.665) 4.676 3.274 ( 9.092 0.000 5.830) 10.800 3.403 ( 1.487 0.000 3.915) 4.187 3.588 ( 3.382 -0.000 -1.410) 3.664 3.632 ( -2.686 -0.000 -0.576) 2.747 3.791 ( 0.522 -0.000 -7.147) 7.166 3.975 ( -0.118 0.000 4.171) 4.173 5.760 ( 3.022 -0.000 0.136) 3.025 5.816 ( -0.683 0.000 0.125) 0.694 6.027 ( 4.692 -0.000 0.878) 4.774 6.107 ( -0.979 0.000 0.994) 1.395 6.299 ( 6.535 -0.000 -5.557) 8.579 6.362 ( 5.853 -0.000 -3.820) 6.989 6.465 ( 5.039 -0.000 -2.560) 5.652 6.507 ( 4.304 -0.000 -0.288) 4.313 6.680 ( 2.408 0.000 5.593) 6.090 6.751 ( -2.339 -0.000 -3.882) 4.533 6.909 ( -2.869 0.000 4.910) 5.686 6.958 ( -3.915 0.000 3.082) 4.982 7.784 ( -2.046 0.000 0.275) 2.064 7.869 ( -2.008 -0.000 -3.641) 4.158 7.978 ( 0.092 0.000 1.620) 1.623 8.022 ( -3.041 -0.000 -0.899) 3.171 8.114 ( -3.404 0.000 7.425) 8.168 8.197 ( -7.865 0.000 -1.099) 7.941 8.634 ( 4.853 -0.000 -1.184) 4.996 8.782 ( -1.526 0.000 1.485) 2.129 9.096 ( 6.848 -0.000 -2.878) 7.429 9.217 ( -0.464 -0.000 -0.795) 0.921 9.228 ( -1.150 -0.000 -1.699) 2.052 9.320 ( -3.706 0.000 1.190) 3.892 ======================= Grid point 309 (71/75) ======================= q-point: ( 0.56 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 5.738 5.738 -0.600) 8.137 1.925 ( 7.088 7.088 -2.831) 10.416 2.048 ( 3.011 3.011 1.761) 4.608 2.085 ( 3.121 3.121 2.088) 4.883 2.154 ( -1.788 -1.788 -7.858) 8.255 2.226 ( -2.849 -2.849 -1.030) 4.159 2.373 ( -3.674 -3.674 3.958) 6.532 2.384 ( -6.429 -6.429 -2.006) 9.311 2.481 ( -5.016 -5.016 7.812) 10.552 2.525 ( -6.786 -6.786 5.956) 11.295 2.979 ( 1.727 1.727 -4.589) 5.199 3.003 ( 0.125 0.125 -3.367) 3.372 3.360 ( 3.929 3.929 3.635) 6.639 3.399 ( 2.100 2.100 6.585) 7.224 3.604 ( -0.655 -0.655 -2.686) 2.841 3.610 ( -1.345 -1.345 -1.259) 2.281 3.802 ( 0.684 0.684 -7.530) 7.592 3.974 ( 1.001 1.001 5.083) 5.276 5.793 ( 0.987 0.987 0.098) 1.399 5.798 ( 0.626 0.626 0.500) 1.017 6.079 ( 1.139 1.139 1.263) 2.047 6.080 ( 1.101 1.101 1.294) 2.025 6.345 ( 5.431 5.431 -6.715) 10.202 6.415 ( 4.364 4.364 -3.842) 7.270 6.489 ( 2.701 2.701 -3.679) 5.303 6.528 ( 3.118 3.118 0.608) 4.452 6.711 ( -2.560 -2.560 -0.614) 3.672 6.753 ( 0.282 0.282 2.488) 2.520 6.865 ( -1.066 -1.066 2.855) 3.229 6.932 ( -2.684 -2.684 5.470) 6.658 7.774 ( -3.149 -3.149 -5.177) 6.829 7.864 ( 1.034 1.034 1.435) 2.049 7.941 ( -0.030 -0.030 0.577) 0.579 8.033 ( -1.069 -1.069 4.770) 5.004 8.092 ( -4.679 -4.679 -1.138) 6.714 8.130 ( -4.092 -4.092 2.896) 6.470 8.682 ( 1.225 1.225 -2.753) 3.253 8.763 ( 1.709 1.709 3.061) 3.900 9.147 ( 1.967 1.967 -3.890) 4.782 9.209 ( -0.262 -0.262 -1.279) 1.332 9.227 ( -1.738 -1.738 -2.317) 3.378 9.284 ( 0.313 0.313 3.492) 3.520 ======================= Grid point 311 (72/75) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 5.384 -0.000 -8.936) 10.433 1.916 ( 2.967 -0.000 -8.470) 8.974 2.004 ( -0.330 -0.000 -3.428) 3.444 2.106 ( 5.761 -0.000 1.031) 5.852 2.154 ( 2.566 0.000 5.076) 5.687 2.230 ( -3.610 -0.000 -0.822) 3.702 2.312 ( -7.070 0.000 1.815) 7.300 2.403 ( -6.638 0.000 4.475) 8.005 2.573 ( -1.124 0.000 9.812) 9.877 2.599 ( -4.605 0.000 8.763) 9.899 2.932 ( 0.914 -0.000 -3.896) 4.002 2.941 ( -0.331 -0.000 -4.390) 4.402 3.433 ( 6.224 -0.000 0.234) 6.228 3.505 ( -0.008 -0.000 -3.293) 3.293 3.526 ( 0.562 0.000 1.196) 1.322 3.594 ( -4.596 0.000 3.018) 5.499 3.713 ( 1.568 -0.000 -5.585) 5.802 4.043 ( 1.285 0.000 3.698) 3.915 5.800 ( 2.055 0.000 0.585) 2.136 5.815 ( -0.127 0.000 0.568) 0.582 6.095 ( 3.182 -0.000 0.588) 3.235 6.115 ( 0.373 0.000 0.283) 0.468 6.304 ( 6.006 -0.000 -5.563) 8.187 6.368 ( 3.822 -0.000 -5.183) 6.440 6.432 ( -1.148 -0.000 -5.422) 5.542 6.536 ( 0.962 -0.000 -1.921) 2.148 6.700 ( -1.516 0.000 2.243) 2.708 6.789 ( 4.429 -0.000 0.839) 4.508 6.933 ( -0.927 0.000 4.185) 4.287 6.969 ( -3.797 0.000 4.033) 5.539 7.716 ( -3.536 0.000 1.181) 3.728 7.898 ( 2.846 0.000 2.101) 3.537 7.944 ( -2.938 -0.000 -2.216) 3.680 8.020 ( 0.245 0.000 1.441) 1.462 8.076 ( -6.226 0.000 -0.335) 6.235 8.172 ( -2.764 0.000 6.170) 6.761 8.653 ( 1.898 -0.000 -2.404) 3.063 8.818 ( 1.629 0.000 2.674) 3.131 9.112 ( 2.575 -0.000 -2.920) 3.893 9.168 ( -1.103 -0.000 -3.226) 3.410 9.176 ( -1.922 -0.000 -3.117) 3.662 9.344 ( 0.572 0.000 3.813) 3.856 ======================= Grid point 320 (73/75) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -0.000 -0.000 -15.437) 15.437 1.741 ( -0.000 -0.000 -15.437) 15.437 2.011 ( 0.000 0.000 1.193) 1.193 2.107 ( -0.000 -0.000 -0.964) 0.964 2.251 ( 0.000 0.000 3.937) 3.937 2.281 ( 0.000 0.000 2.655) 2.655 2.281 ( 0.000 0.000 2.655) 2.655 2.429 ( 0.000 0.000 7.667) 7.667 2.693 ( 0.000 0.000 7.333) 7.333 2.693 ( 0.000 0.000 7.333) 7.333 2.901 ( -0.000 -0.000 -0.116) 0.116 2.901 ( -0.000 -0.000 -0.116) 0.116 3.292 ( -0.000 -0.000 -19.109) 19.109 3.400 ( -0.000 -0.000 -8.281) 8.281 3.659 ( 0.000 0.000 8.765) 8.765 3.659 ( 0.000 0.000 8.765) 8.765 3.668 ( -0.000 -0.000 -2.507) 2.507 4.091 ( 0.000 0.000 1.595) 1.595 5.826 ( 0.000 0.000 0.979) 0.979 5.826 ( 0.000 0.000 0.979) 0.979 6.104 ( -0.000 -0.000 -3.319) 3.319 6.104 ( -0.000 -0.000 -3.319) 3.319 6.280 ( -0.000 -0.000 -6.969) 6.969 6.349 ( -0.000 -0.000 -0.815) 0.815 6.349 ( -0.000 -0.000 -0.815) 0.815 6.502 ( -0.000 -0.000 -2.814) 2.814 6.749 ( 0.000 0.000 5.357) 5.357 6.762 ( -0.000 -0.000 -9.141) 9.141 6.992 ( 0.000 0.000 4.272) 4.272 6.992 ( 0.000 0.000 4.272) 4.272 7.758 ( 0.000 0.000 5.049) 5.049 7.884 ( 0.000 0.000 0.938) 0.938 7.958 ( 0.000 0.000 1.926) 1.926 8.023 ( -0.000 -0.000 -1.094) 1.094 8.023 ( -0.000 -0.000 -1.094) 1.094 8.229 ( 0.000 0.000 4.945) 4.945 8.634 ( -0.000 -0.000 -2.105) 2.105 8.865 ( 0.000 0.000 1.786) 1.786 9.103 ( -0.000 -0.000 -1.045) 1.045 9.119 ( -0.000 -0.000 -2.457) 2.457 9.119 ( -0.000 -0.000 -2.457) 2.457 9.401 ( 0.000 0.000 3.543) 3.543 ======================= Grid point 387 (74/75) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 9.488 -0.000 0.000) 9.488 2.024 ( 13.289 -0.000 0.000) 13.289 2.049 ( 1.943 -0.000 0.000) 1.943 2.064 ( 7.985 -0.000 0.000) 7.985 2.224 ( -2.518 0.000 -0.000) 2.518 2.270 ( -5.735 0.000 -0.000) 5.735 2.299 ( -3.009 0.000 -0.000) 3.009 2.344 ( -5.192 0.000 -0.000) 5.192 2.355 ( -11.317 0.000 -0.000) 11.317 2.408 ( -12.602 0.000 -0.000) 12.602 3.021 ( 2.666 -0.000 0.000) 2.666 3.042 ( -0.314 0.000 -0.000) 0.314 3.339 ( 6.312 -0.000 0.000) 6.312 3.381 ( 0.558 -0.000 0.000) 0.558 3.614 ( -1.417 0.000 -0.000) 1.417 3.615 ( -0.835 0.000 -0.000) 0.835 3.889 ( 2.823 -0.000 0.000) 2.823 3.916 ( -0.827 0.000 -0.000) 0.827 5.791 ( 1.724 -0.000 0.000) 1.724 5.806 ( -0.462 0.000 -0.000) 0.462 6.066 ( 2.273 -0.000 0.000) 2.273 6.086 ( -0.650 0.000 -0.000) 0.650 6.443 ( 7.430 -0.000 0.000) 7.430 6.485 ( 4.710 -0.000 0.000) 4.710 6.514 ( 4.628 -0.000 0.000) 4.628 6.600 ( -3.124 0.000 -0.000) 3.124 6.654 ( 7.606 -0.000 0.000) 7.606 6.754 ( -3.409 0.000 -0.000) 3.409 6.821 ( -1.807 0.000 -0.000) 1.807 6.863 ( -5.606 0.000 -0.000) 5.606 7.801 ( 2.334 -0.000 0.000) 2.334 7.859 ( -5.316 0.000 -0.000) 5.316 7.952 ( 1.690 -0.000 0.000) 1.690 8.009 ( -1.767 0.000 -0.000) 1.767 8.014 ( -1.096 0.000 -0.000) 1.096 8.094 ( -7.759 0.000 -0.000) 7.759 8.714 ( 4.264 -0.000 0.000) 4.264 8.750 ( -0.780 0.000 -0.000) 0.780 9.203 ( 4.317 -0.000 0.000) 4.317 9.211 ( -0.138 0.000 -0.000) 0.138 9.222 ( -1.277 0.000 -0.000) 1.277 9.258 ( -3.217 0.000 -0.000) 3.217 ======================= Grid point 397 (75/75) ======================= q-point: (-0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -0.000 -0.000 -1.973) 1.973 2.096 ( -0.000 -0.000 -10.877) 10.877 2.096 ( -0.000 -0.000 -10.877) 10.877 2.117 ( 0.000 0.000 4.917) 4.917 2.153 ( -0.000 -0.000 -2.500) 2.500 2.218 ( 0.000 0.000 1.557) 1.557 2.218 ( 0.000 0.000 1.557) 1.557 2.255 ( 0.000 0.000 5.065) 5.065 2.420 ( 0.000 0.000 10.412) 10.412 2.420 ( 0.000 0.000 10.412) 10.412 3.005 ( -0.000 -0.000 -4.496) 4.496 3.005 ( -0.000 -0.000 -4.496) 4.496 3.432 ( 0.000 0.000 6.295) 6.295 3.432 ( 0.000 0.000 6.295) 6.295 3.571 ( -0.000 -0.000 -3.891) 3.891 3.587 ( -0.000 -0.000 -3.420) 3.420 3.816 ( -0.000 -0.000 -7.353) 7.353 3.991 ( 0.000 0.000 5.307) 5.307 5.806 ( 0.000 0.000 0.464) 0.464 5.806 ( 0.000 0.000 0.464) 0.464 6.094 ( 0.000 0.000 1.694) 1.694 6.094 ( 0.000 0.000 1.694) 1.694 6.451 ( -0.000 -0.000 -5.587) 5.587 6.494 ( -0.000 -0.000 -6.948) 6.948 6.494 ( -0.000 -0.000 -6.948) 6.948 6.565 ( 0.000 0.000 0.922) 0.922 6.663 ( -0.000 -0.000 -1.746) 1.746 6.807 ( 0.000 0.000 5.104) 5.104 6.852 ( 0.000 0.000 5.379) 5.379 6.852 ( 0.000 0.000 5.379) 5.379 7.725 ( -0.000 -0.000 -5.838) 5.838 7.896 ( 0.000 0.000 3.911) 3.911 7.964 ( -0.000 -0.000 -2.983) 2.983 8.005 ( 0.000 0.000 1.104) 1.104 8.005 ( 0.000 0.000 1.104) 1.104 8.068 ( 0.000 0.000 5.733) 5.733 8.703 ( -0.000 -0.000 -2.962) 2.962 8.791 ( 0.000 0.000 3.308) 3.308 9.176 ( -0.000 -0.000 -3.945) 3.945 9.198 ( -0.000 -0.000 -2.102) 2.102 9.198 ( -0.000 -0.000 -2.102) 2.102 9.293 ( 0.000 0.000 4.333) 4.333 =================== 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 3/30618 10.0 831.666 831.666 826.436 -0.000 0.000 -0.000 3/30618 20.0 112.518 112.518 124.434 -0.000 0.000 -0.000 3/30618 30.0 45.705 45.705 51.666 -0.000 0.000 -0.000 3/30618 40.0 26.958 26.958 30.707 -0.000 0.000 -0.000 3/30618 50.0 18.423 18.423 21.158 -0.000 0.000 -0.000 3/30618 60.0 13.585 13.585 15.729 -0.000 0.000 -0.000 3/30618 70.0 10.553 10.553 12.301 -0.000 0.000 -0.000 3/30618 80.0 8.530 8.530 9.997 -0.000 0.000 -0.000 3/30618 90.0 7.115 7.115 8.372 -0.000 0.000 -0.000 3/30618 100.0 6.085 6.085 7.181 -0.000 0.000 -0.000 3/30618 110.0 5.308 5.308 6.279 -0.000 0.000 -0.000 3/30618 120.0 4.705 4.705 5.575 -0.000 0.000 -0.000 3/30618 130.0 4.225 4.225 5.014 -0.000 0.000 -0.000 3/30618 140.0 3.836 3.836 4.556 -0.000 0.000 -0.000 3/30618 150.0 3.513 3.513 4.176 -0.000 0.000 -0.000 3/30618 160.0 3.242 3.242 3.856 -0.000 0.000 -0.000 3/30618 170.0 3.010 3.010 3.583 -0.000 0.000 -0.000 3/30618 180.0 2.811 2.811 3.347 -0.000 0.000 -0.000 3/30618 190.0 2.637 2.637 3.141 -0.000 0.000 -0.000 3/30618 200.0 2.484 2.484 2.959 -0.000 0.000 -0.000 3/30618 210.0 2.348 2.348 2.799 -0.000 0.000 -0.000 3/30618 220.0 2.227 2.227 2.655 -0.000 0.000 -0.000 3/30618 230.0 2.118 2.118 2.526 -0.000 0.000 -0.000 3/30618 240.0 2.020 2.020 2.409 -0.000 0.000 -0.000 3/30618 250.0 1.931 1.931 2.303 -0.000 0.000 -0.000 3/30618 260.0 1.849 1.849 2.206 -0.000 0.000 -0.000 3/30618 270.0 1.774 1.774 2.117 -0.000 0.000 -0.000 3/30618 280.0 1.706 1.706 2.035 -0.000 0.000 -0.000 3/30618 290.0 1.642 1.642 1.959 -0.000 0.000 -0.000 3/30618 300.0 1.583 1.583 1.889 -0.000 0.000 -0.000 3/30618 310.0 1.529 1.529 1.824 -0.000 0.000 -0.000 3/30618 320.0 1.478 1.478 1.764 -0.000 0.000 -0.000 3/30618 330.0 1.430 1.430 1.707 -0.000 0.000 -0.000 3/30618 340.0 1.386 1.386 1.654 -0.000 0.000 -0.000 3/30618 350.0 1.344 1.344 1.604 -0.000 0.000 -0.000 3/30618 360.0 1.305 1.305 1.557 -0.000 0.000 -0.000 3/30618 370.0 1.268 1.268 1.513 -0.000 0.000 -0.000 3/30618 380.0 1.233 1.233 1.472 -0.000 0.000 -0.000 3/30618 390.0 1.200 1.200 1.432 -0.000 0.000 -0.000 3/30618 400.0 1.169 1.169 1.395 -0.000 0.000 -0.000 3/30618 410.0 1.139 1.139 1.360 -0.000 0.000 -0.000 3/30618 420.0 1.111 1.111 1.326 -0.000 0.000 -0.000 3/30618 430.0 1.084 1.084 1.294 -0.000 0.000 -0.000 3/30618 440.0 1.059 1.059 1.264 -0.000 0.000 -0.000 3/30618 450.0 1.034 1.034 1.235 -0.000 0.000 -0.000 3/30618 460.0 1.011 1.011 1.207 -0.000 0.000 -0.000 3/30618 470.0 0.989 0.989 1.181 -0.000 0.000 -0.000 3/30618 480.0 0.968 0.968 1.155 -0.000 0.000 -0.000 3/30618 490.0 0.948 0.948 1.131 -0.000 0.000 -0.000 3/30618 500.0 0.928 0.928 1.108 -0.000 0.000 -0.000 3/30618 510.0 0.909 0.909 1.086 -0.000 0.000 -0.000 3/30618 520.0 0.892 0.892 1.064 -0.000 0.000 -0.000 3/30618 530.0 0.874 0.874 1.044 -0.000 0.000 -0.000 3/30618 540.0 0.858 0.858 1.024 -0.000 0.000 -0.000 3/30618 550.0 0.842 0.842 1.005 -0.000 0.000 -0.000 3/30618 560.0 0.826 0.826 0.987 -0.000 0.000 -0.000 3/30618 570.0 0.812 0.812 0.969 -0.000 0.000 -0.000 3/30618 580.0 0.797 0.797 0.952 -0.000 0.000 -0.000 3/30618 590.0 0.784 0.784 0.936 -0.000 0.000 -0.000 3/30618 600.0 0.770 0.770 0.920 -0.000 0.000 -0.000 3/30618 610.0 0.757 0.757 0.904 -0.000 0.000 -0.000 3/30618 620.0 0.745 0.745 0.890 -0.000 0.000 -0.000 3/30618 630.0 0.733 0.733 0.875 -0.000 0.000 -0.000 3/30618 640.0 0.721 0.721 0.861 -0.000 0.000 -0.000 3/30618 650.0 0.710 0.710 0.848 -0.000 0.000 -0.000 3/30618 660.0 0.699 0.699 0.835 -0.000 0.000 -0.000 3/30618 670.0 0.689 0.689 0.822 -0.000 0.000 -0.000 3/30618 680.0 0.678 0.678 0.810 -0.000 0.000 -0.000 3/30618 690.0 0.668 0.668 0.798 -0.000 0.000 -0.000 3/30618 700.0 0.659 0.659 0.786 -0.000 0.000 -0.000 3/30618 710.0 0.649 0.649 0.775 -0.000 0.000 -0.000 3/30618 720.0 0.640 0.640 0.764 -0.000 0.000 -0.000 3/30618 730.0 0.631 0.631 0.754 -0.000 0.000 -0.000 3/30618 740.0 0.623 0.623 0.743 -0.000 0.000 -0.000 3/30618 750.0 0.614 0.614 0.733 -0.000 0.000 -0.000 3/30618 760.0 0.606 0.606 0.724 -0.000 0.000 -0.000 3/30618 770.0 0.598 0.598 0.714 -0.000 0.000 -0.000 3/30618 780.0 0.590 0.590 0.705 -0.000 0.000 -0.000 3/30618 790.0 0.583 0.583 0.696 -0.000 0.000 -0.000 3/30618 800.0 0.576 0.576 0.687 -0.000 0.000 -0.000 3/30618 810.0 0.568 0.568 0.679 -0.000 0.000 -0.000 3/30618 820.0 0.561 0.561 0.670 -0.000 0.000 -0.000 3/30618 830.0 0.555 0.555 0.662 -0.000 0.000 -0.000 3/30618 840.0 0.548 0.548 0.654 -0.000 0.000 -0.000 3/30618 850.0 0.541 0.541 0.646 -0.000 0.000 -0.000 3/30618 860.0 0.535 0.535 0.639 -0.000 0.000 -0.000 3/30618 870.0 0.529 0.529 0.631 -0.000 0.000 -0.000 3/30618 880.0 0.523 0.523 0.624 -0.000 0.000 -0.000 3/30618 890.0 0.517 0.517 0.617 -0.000 0.000 -0.000 3/30618 900.0 0.511 0.511 0.610 -0.000 0.000 -0.000 3/30618 910.0 0.505 0.505 0.603 -0.000 0.000 -0.000 3/30618 920.0 0.500 0.500 0.597 -0.000 0.000 -0.000 3/30618 930.0 0.494 0.494 0.590 -0.000 0.000 -0.000 3/30618 940.0 0.489 0.489 0.584 -0.000 0.000 -0.000 3/30618 950.0 0.484 0.484 0.578 -0.000 0.000 -0.000 3/30618 960.0 0.479 0.479 0.572 -0.000 0.000 -0.000 3/30618 970.0 0.474 0.474 0.566 -0.000 0.000 -0.000 3/30618 980.0 0.469 0.469 0.560 -0.000 0.000 -0.000 3/30618 990.0 0.464 0.464 0.554 -0.000 0.000 -0.000 3/30618 1000.0 0.460 0.460 0.549 -0.000 0.000 -0.000 3/30618 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:41:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|