----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:30:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.789855280003819 -7.108058275000000 0.000000000000000 b 3.789855280003819 7.108058275000000 0.000000000000000 c -2.028714409111962 0.000000000000000 7.417063720086550 Atomic positions (fractional): *1 Th 0.85653045956335 0.14346954043665 0.50000000000000 232.038 2 Th 0.14346954043665 0.85653045956335 0.50000000000000 232.038 *3 Te 0.89842893702468 0.89842893702468 0.16792770417445 127.600 4 Te 0.10157106297532 0.10157106297532 0.83207229582555 127.600 *5 Te 0.33247622847600 0.33247622847600 0.60627624891042 127.600 6 Te 0.66752377152400 0.66752377152400 0.39372375108958 127.600 *7 I 0.54256877182601 0.95884093960668 0.75119857781391 126.904 8 I 0.04115906039332 0.45743122817399 0.24880142218609 126.904 9 I 0.45743122817399 0.04115906039332 0.24880142218609 126.904 10 I 0.95884093960668 0.54256877182601 0.75119857781391 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.579710560007637 0.000000000000000 0.000000000000000 b 0.000000000000000 14.216116550000001 0.000000000000000 c -2.028714409111962 0.000000000000000 7.417063720086550 Atomic positions (fractional): *1 Th 0.50000000000000 0.64346954043665 0.50000000000000 232.038 > 1 2 Th 0.00000000000000 0.85653045956335 0.50000000000000 232.038 > 2 3 Th 0.00000000000000 0.14346954043665 0.50000000000000 232.038 > 1 4 Th 0.50000000000000 0.35653045956335 0.50000000000000 232.038 > 2 *5 Te 0.89842893702468 0.00000000000000 0.16792770417445 127.600 > 3 6 Te 0.10157106297532 0.00000000000000 0.83207229582555 127.600 > 4 *7 Te 0.33247622847600 0.00000000000000 0.60627624891042 127.600 > 5 8 Te 0.66752377152400 0.00000000000000 0.39372375108958 127.600 > 6 9 Te 0.39842893702468 0.50000000000000 0.16792770417445 127.600 > 3 10 Te 0.60157106297532 0.50000000000000 0.83207229582555 127.600 > 4 11 Te 0.83247622847600 0.50000000000000 0.60627624891042 127.600 > 5 12 Te 0.16752377152400 0.50000000000000 0.39372375108958 127.600 > 6 *13 I 0.25070485571634 0.70813608389033 0.75119857781391 126.904 > 7 14 I 0.74929514428366 0.70813608389033 0.24880142218609 126.904 > 8 15 I 0.24929514428366 0.79186391610967 0.24880142218609 126.904 > 9 16 I 0.75070485571634 0.79186391610967 0.75119857781391 126.904 > 10 17 I 0.75070485571634 0.20813608389033 0.75119857781391 126.904 > 7 18 I 0.24929514428366 0.20813608389033 0.24880142218609 126.904 > 8 19 I 0.74929514428366 0.29186391610967 0.24880142218609 126.904 > 9 20 I 0.25070485571634 0.29186391610967 0.75119857781391 126.904 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.159421120015274 0.000000000000000 0.000000000000000 b 0.000000000000000 14.216116550000001 0.000000000000000 c -4.057428818223924 0.000000000000000 14.834127440173100 Atomic positions (fractional): *1 Th 0.25000000000000 0.64346954043665 0.25000000000000 232.038 > 1 2 Th 0.75000000000000 0.64346954043665 0.25000000000000 232.038 > 1 3 Th 0.25000000000000 0.64346954043665 0.75000000000000 232.038 > 1 4 Th 0.75000000000000 0.64346954043665 0.75000000000000 232.038 > 1 5 Th 0.00000000000000 0.85653045956335 0.25000000000000 232.038 > 2 6 Th 0.50000000000000 0.85653045956335 0.25000000000000 232.038 > 2 7 Th 0.00000000000000 0.85653045956335 0.75000000000000 232.038 > 2 8 Th 0.50000000000000 0.85653045956335 0.75000000000000 232.038 > 2 9 Th 0.00000000000000 0.14346954043665 0.25000000000000 232.038 > 1 10 Th 0.50000000000000 0.14346954043665 0.25000000000000 232.038 > 1 11 Th 0.00000000000000 0.14346954043665 0.75000000000000 232.038 > 1 12 Th 0.50000000000000 0.14346954043665 0.75000000000000 232.038 > 1 13 Th 0.25000000000000 0.35653045956335 0.25000000000000 232.038 > 2 14 Th 0.75000000000000 0.35653045956335 0.25000000000000 232.038 > 2 15 Th 0.25000000000000 0.35653045956335 0.75000000000000 232.038 > 2 16 Th 0.75000000000000 0.35653045956335 0.75000000000000 232.038 > 2 *17 Te 0.44921446851234 0.00000000000000 0.08396385208722 127.600 > 3 18 Te 0.94921446851234 0.00000000000000 0.08396385208722 127.600 > 3 19 Te 0.44921446851234 0.00000000000000 0.58396385208723 127.600 > 3 20 Te 0.94921446851234 0.00000000000000 0.58396385208723 127.600 > 3 21 Te 0.05078553148766 0.00000000000000 0.41603614791277 127.600 > 4 22 Te 0.55078553148766 0.00000000000000 0.41603614791277 127.600 > 4 23 Te 0.05078553148766 0.00000000000000 0.91603614791277 127.600 > 4 24 Te 0.55078553148766 0.00000000000000 0.91603614791277 127.600 > 4 *25 Te 0.16623811423800 0.00000000000000 0.30313812445521 127.600 > 5 26 Te 0.66623811423800 0.00000000000000 0.30313812445521 127.600 > 5 27 Te 0.16623811423800 0.00000000000000 0.80313812445521 127.600 > 5 28 Te 0.66623811423800 0.00000000000000 0.80313812445521 127.600 > 5 29 Te 0.33376188576200 0.00000000000000 0.19686187554479 127.600 > 6 30 Te 0.83376188576200 0.00000000000000 0.19686187554479 127.600 > 6 31 Te 0.33376188576200 0.00000000000000 0.69686187554479 127.600 > 6 32 Te 0.83376188576200 0.00000000000000 0.69686187554479 127.600 > 6 33 Te 0.19921446851234 0.50000000000000 0.08396385208722 127.600 > 3 34 Te 0.69921446851234 0.50000000000000 0.08396385208722 127.600 > 3 35 Te 0.19921446851234 0.50000000000000 0.58396385208723 127.600 > 3 36 Te 0.69921446851234 0.50000000000000 0.58396385208723 127.600 > 3 37 Te 0.30078553148766 0.50000000000000 0.41603614791277 127.600 > 4 38 Te 0.80078553148766 0.50000000000000 0.41603614791277 127.600 > 4 39 Te 0.30078553148766 0.50000000000000 0.91603614791277 127.600 > 4 40 Te 0.80078553148766 0.50000000000000 0.91603614791277 127.600 > 4 41 Te 0.41623811423800 0.50000000000000 0.30313812445521 127.600 > 5 42 Te 0.91623811423800 0.50000000000000 0.30313812445521 127.600 > 5 43 Te 0.41623811423800 0.50000000000000 0.80313812445521 127.600 > 5 44 Te 0.91623811423800 0.50000000000000 0.80313812445521 127.600 > 5 45 Te 0.08376188576200 0.50000000000000 0.19686187554479 127.600 > 6 46 Te 0.58376188576200 0.50000000000000 0.19686187554479 127.600 > 6 47 Te 0.08376188576200 0.50000000000000 0.69686187554479 127.600 > 6 48 Te 0.58376188576200 0.50000000000000 0.69686187554479 127.600 > 6 *49 I 0.12535242785817 0.70813608389033 0.37559928890696 126.904 > 7 50 I 0.62535242785817 0.70813608389033 0.37559928890696 126.904 > 7 51 I 0.12535242785817 0.70813608389033 0.87559928890696 126.904 > 7 52 I 0.62535242785817 0.70813608389033 0.87559928890696 126.904 > 7 53 I 0.37464757214183 0.70813608389033 0.12440071109304 126.904 > 8 54 I 0.87464757214183 0.70813608389033 0.12440071109304 126.904 > 8 55 I 0.37464757214183 0.70813608389033 0.62440071109304 126.904 > 8 56 I 0.87464757214183 0.70813608389033 0.62440071109304 126.904 > 8 57 I 0.12464757214183 0.79186391610967 0.12440071109304 126.904 > 9 58 I 0.62464757214183 0.79186391610967 0.12440071109304 126.904 > 9 59 I 0.12464757214183 0.79186391610967 0.62440071109304 126.904 > 9 60 I 0.62464757214183 0.79186391610967 0.62440071109304 126.904 > 9 61 I 0.37535242785817 0.79186391610967 0.37559928890696 126.904 > 10 62 I 0.87535242785817 0.79186391610967 0.37559928890696 126.904 > 10 63 I 0.37535242785817 0.79186391610967 0.87559928890696 126.904 > 10 64 I 0.87535242785817 0.79186391610967 0.87559928890696 126.904 > 10 65 I 0.37535242785817 0.20813608389033 0.37559928890696 126.904 > 7 66 I 0.87535242785817 0.20813608389033 0.37559928890696 126.904 > 7 67 I 0.37535242785817 0.20813608389033 0.87559928890696 126.904 > 7 68 I 0.87535242785817 0.20813608389033 0.87559928890696 126.904 > 7 69 I 0.12464757214183 0.20813608389033 0.12440071109304 126.904 > 8 70 I 0.62464757214183 0.20813608389033 0.12440071109304 126.904 > 8 71 I 0.12464757214183 0.20813608389033 0.62440071109304 126.904 > 8 72 I 0.62464757214183 0.20813608389033 0.62440071109304 126.904 > 8 73 I 0.37464757214183 0.29186391610967 0.12440071109304 126.904 > 9 74 I 0.87464757214183 0.29186391610967 0.12440071109304 126.904 > 9 75 I 0.37464757214183 0.29186391610967 0.62440071109304 126.904 > 9 76 I 0.87464757214183 0.29186391610967 0.62440071109304 126.904 > 9 77 I 0.12535242785817 0.29186391610967 0.37559928890696 126.904 > 10 78 I 0.62535242785817 0.29186391610967 0.37559928890696 126.904 > 10 79 I 0.12535242785817 0.29186391610967 0.87559928890696 126.904 > 10 80 I 0.62535242785817 0.29186391610967 0.87559928890696 126.904 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3275311 0.0000000 -2.3470023 0.0000000 6.8131810 0.0000000 -2.3470125 0.0000000 7.4029952 -------------------------- Born effective charges -------------------------- 1 Th 3.8605593 0.0000000 0.6912719 0.0000000 5.3673378 0.0000000 0.5330928 0.0000000 2.2963429 2 Th 3.8605593 0.0000000 0.6912719 0.0000000 5.3673378 0.0000000 0.5330928 0.0000000 2.2963429 3 Te -0.5975243 0.0000000 -0.7319067 0.0000000 -1.2871583 0.0000000 -0.2740911 0.0000000 0.0034203 4 Te -0.5975243 0.0000000 -0.7319067 0.0000000 -1.2871583 0.0000000 -0.2740911 0.0000000 0.0034203 5 Te -0.0234883 0.0000000 0.0353522 0.0000000 -1.1389145 0.0000000 -0.5337848 0.0000000 -0.8582878 6 Te -0.0234883 0.0000000 0.0353522 0.0000000 -1.1389145 0.0000000 -0.5337848 0.0000000 -0.8582878 7 I -1.6197734 1.0739755 0.0026413 0.9348437 -1.4706325 0.3451930 0.1373915 0.0941797 -0.7207377 8 I -1.6197734 -1.0739755 0.0026413 -0.9348437 -1.4706325 -0.3451930 0.1373915 -0.0941797 -0.7207377 9 I -1.6197734 1.0739755 0.0026413 0.9348437 -1.4706325 0.3451930 0.1373915 0.0941797 -0.7207377 10 I -1.6197734 -1.0739755 0.0026413 -0.9348437 -1.4706325 -0.3451930 0.1373915 -0.0941797 -0.7207377 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1008 Number of blocks in projector: 1008 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (1008, 985), data: False |-- (148, 144), data: True |-- (148, 144), data: True |-- (148, 144), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 229), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.742 Solver_block: 200 / 320 - Time: 0.752 Solver_block: 300 / 320 - Time: 0.751 Solver_block: 320 / 320 - Time: 0.186 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.448 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 4368/4368 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1008 Number of blocks in projector: 1008 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 148 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 148 Use standard eigh solver. Tree of FC basis block matrices: - (1008, 985), data: False |-- (148, 144), data: True |-- (148, 144), data: True |-- (148, 144), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 229), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:30:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:30:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.789855280003819 -7.108058275000000 0.000000000000000 b 3.789855280003819 7.108058275000000 0.000000000000000 c -2.028714409111962 0.000000000000000 7.417063720086550 Atomic positions (fractional): 1 Th 0.85653045956335 0.14346954043665 0.50000000000000 232.038 2 Th 0.14346954043665 0.85653045956335 0.50000000000000 232.038 3 Te 0.89842893702468 0.89842893702468 0.16792770417445 127.600 4 Te 0.10157106297532 0.10157106297532 0.83207229582555 127.600 5 Te 0.33247622847600 0.33247622847600 0.60627624891042 127.600 6 Te 0.66752377152400 0.66752377152400 0.39372375108958 127.600 7 I 0.54256877182601 0.95884093960668 0.75119857781391 126.904 8 I 0.04115906039332 0.45743122817399 0.24880142218609 126.904 9 I 0.45743122817399 0.04115906039332 0.24880142218609 126.904 10 I 0.95884093960668 0.54256877182601 0.75119857781391 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.159421120015274 0.000000000000000 0.000000000000000 b 0.000000000000000 14.216116550000001 0.000000000000000 c -4.057428818223924 0.000000000000000 14.834127440173100 Atomic positions (fractional): 1 Th 0.25000000000000 0.64346954043665 0.25000000000000 232.038 > 1 2 Th 0.75000000000000 0.64346954043665 0.25000000000000 232.038 > 1 3 Th 0.25000000000000 0.64346954043665 0.75000000000000 232.038 > 1 4 Th 0.75000000000000 0.64346954043665 0.75000000000000 232.038 > 1 5 Th 0.00000000000000 0.85653045956335 0.25000000000000 232.038 > 5 6 Th 0.50000000000000 0.85653045956335 0.25000000000000 232.038 > 5 7 Th 0.00000000000000 0.85653045956335 0.75000000000000 232.038 > 5 8 Th 0.50000000000000 0.85653045956335 0.75000000000000 232.038 > 5 9 Th 0.00000000000000 0.14346954043665 0.25000000000000 232.038 > 1 10 Th 0.50000000000000 0.14346954043665 0.25000000000000 232.038 > 1 11 Th 0.00000000000000 0.14346954043665 0.75000000000000 232.038 > 1 12 Th 0.50000000000000 0.14346954043665 0.75000000000000 232.038 > 1 13 Th 0.25000000000000 0.35653045956335 0.25000000000000 232.038 > 5 14 Th 0.75000000000000 0.35653045956335 0.25000000000000 232.038 > 5 15 Th 0.25000000000000 0.35653045956335 0.75000000000000 232.038 > 5 16 Th 0.75000000000000 0.35653045956335 0.75000000000000 232.038 > 5 17 Te 0.44921446851234 0.00000000000000 0.08396385208722 127.600 > 17 18 Te 0.94921446851234 0.00000000000000 0.08396385208722 127.600 > 17 19 Te 0.44921446851234 0.00000000000000 0.58396385208723 127.600 > 17 20 Te 0.94921446851234 0.00000000000000 0.58396385208723 127.600 > 17 21 Te 0.05078553148766 0.00000000000000 0.41603614791277 127.600 > 21 22 Te 0.55078553148766 0.00000000000000 0.41603614791277 127.600 > 21 23 Te 0.05078553148766 0.00000000000000 0.91603614791277 127.600 > 21 24 Te 0.55078553148766 0.00000000000000 0.91603614791277 127.600 > 21 25 Te 0.16623811423800 0.00000000000000 0.30313812445521 127.600 > 25 26 Te 0.66623811423800 0.00000000000000 0.30313812445521 127.600 > 25 27 Te 0.16623811423800 0.00000000000000 0.80313812445521 127.600 > 25 28 Te 0.66623811423800 0.00000000000000 0.80313812445521 127.600 > 25 29 Te 0.33376188576200 0.00000000000000 0.19686187554479 127.600 > 29 30 Te 0.83376188576200 0.00000000000000 0.19686187554479 127.600 > 29 31 Te 0.33376188576200 0.00000000000000 0.69686187554479 127.600 > 29 32 Te 0.83376188576200 0.00000000000000 0.69686187554479 127.600 > 29 33 Te 0.19921446851234 0.50000000000000 0.08396385208722 127.600 > 17 34 Te 0.69921446851234 0.50000000000000 0.08396385208722 127.600 > 17 35 Te 0.19921446851234 0.50000000000000 0.58396385208723 127.600 > 17 36 Te 0.69921446851234 0.50000000000000 0.58396385208723 127.600 > 17 37 Te 0.30078553148766 0.50000000000000 0.41603614791277 127.600 > 21 38 Te 0.80078553148766 0.50000000000000 0.41603614791277 127.600 > 21 39 Te 0.30078553148766 0.50000000000000 0.91603614791277 127.600 > 21 40 Te 0.80078553148766 0.50000000000000 0.91603614791277 127.600 > 21 41 Te 0.41623811423800 0.50000000000000 0.30313812445521 127.600 > 25 42 Te 0.91623811423800 0.50000000000000 0.30313812445521 127.600 > 25 43 Te 0.41623811423800 0.50000000000000 0.80313812445521 127.600 > 25 44 Te 0.91623811423800 0.50000000000000 0.80313812445521 127.600 > 25 45 Te 0.08376188576200 0.50000000000000 0.19686187554479 127.600 > 29 46 Te 0.58376188576200 0.50000000000000 0.19686187554479 127.600 > 29 47 Te 0.08376188576200 0.50000000000000 0.69686187554479 127.600 > 29 48 Te 0.58376188576200 0.50000000000000 0.69686187554479 127.600 > 29 49 I 0.12535242785817 0.70813608389033 0.37559928890696 126.904 > 49 50 I 0.62535242785817 0.70813608389033 0.37559928890696 126.904 > 49 51 I 0.12535242785817 0.70813608389033 0.87559928890696 126.904 > 49 52 I 0.62535242785817 0.70813608389033 0.87559928890696 126.904 > 49 53 I 0.37464757214183 0.70813608389033 0.12440071109304 126.904 > 53 54 I 0.87464757214183 0.70813608389033 0.12440071109304 126.904 > 53 55 I 0.37464757214183 0.70813608389033 0.62440071109304 126.904 > 53 56 I 0.87464757214183 0.70813608389033 0.62440071109304 126.904 > 53 57 I 0.12464757214183 0.79186391610967 0.12440071109304 126.904 > 57 58 I 0.62464757214183 0.79186391610967 0.12440071109304 126.904 > 57 59 I 0.12464757214183 0.79186391610967 0.62440071109304 126.904 > 57 60 I 0.62464757214183 0.79186391610967 0.62440071109304 126.904 > 57 61 I 0.37535242785817 0.79186391610967 0.37559928890696 126.904 > 61 62 I 0.87535242785817 0.79186391610967 0.37559928890696 126.904 > 61 63 I 0.37535242785817 0.79186391610967 0.87559928890696 126.904 > 61 64 I 0.87535242785817 0.79186391610967 0.87559928890696 126.904 > 61 65 I 0.37535242785817 0.20813608389033 0.37559928890696 126.904 > 49 66 I 0.87535242785817 0.20813608389033 0.37559928890696 126.904 > 49 67 I 0.37535242785817 0.20813608389033 0.87559928890696 126.904 > 49 68 I 0.87535242785817 0.20813608389033 0.87559928890696 126.904 > 49 69 I 0.12464757214183 0.20813608389033 0.12440071109304 126.904 > 53 70 I 0.62464757214183 0.20813608389033 0.12440071109304 126.904 > 53 71 I 0.12464757214183 0.20813608389033 0.62440071109304 126.904 > 53 72 I 0.62464757214183 0.20813608389033 0.62440071109304 126.904 > 53 73 I 0.37464757214183 0.29186391610967 0.12440071109304 126.904 > 57 74 I 0.87464757214183 0.29186391610967 0.12440071109304 126.904 > 57 75 I 0.37464757214183 0.29186391610967 0.62440071109304 126.904 > 57 76 I 0.87464757214183 0.29186391610967 0.62440071109304 126.904 > 57 77 I 0.12535242785817 0.29186391610967 0.37559928890696 126.904 > 61 78 I 0.62535242785817 0.29186391610967 0.37559928890696 126.904 > 61 79 I 0.12535242785817 0.29186391610967 0.87559928890696 126.904 > 61 80 I 0.62535242785817 0.29186391610967 0.87559928890696 126.904 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.3275311 0.0000000 -2.3470023 0.0000000 6.8131810 0.0000000 -2.3470125 0.0000000 7.4029952 -------------------------- Born effective charges -------------------------- 1 Th 3.8605593 0.0000000 0.6912719 0.0000000 5.3673378 0.0000000 0.5330928 0.0000000 2.2963429 2 Th 3.8605593 0.0000000 0.6912719 0.0000000 5.3673378 0.0000000 0.5330928 0.0000000 2.2963429 3 Te -0.5975243 0.0000000 -0.7319067 0.0000000 -1.2871583 0.0000000 -0.2740911 0.0000000 0.0034203 4 Te -0.5975243 0.0000000 -0.7319067 0.0000000 -1.2871583 0.0000000 -0.2740911 0.0000000 0.0034203 5 Te -0.0234883 0.0000000 0.0353522 0.0000000 -1.1389145 0.0000000 -0.5337848 0.0000000 -0.8582878 6 Te -0.0234883 0.0000000 0.0353522 0.0000000 -1.1389145 0.0000000 -0.5337848 0.0000000 -0.8582878 7 I -1.6197734 1.0739755 0.0026413 0.9348437 -1.4706325 0.3451930 0.1373915 0.0941797 -0.7207377 8 I -1.6197734 -1.0739755 0.0026413 -0.9348437 -1.4706325 -0.3451930 0.1373915 -0.0941797 -0.7207377 9 I -1.6197734 1.0739755 0.0026413 0.9348437 -1.4706325 0.3451930 0.1373915 0.0941797 -0.7207377 10 I -1.6197734 -1.0739755 0.0026413 -0.9348437 -1.4706325 -0.3451930 0.1373915 -0.0941797 -0.7207377 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] 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] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0026 0.0000 0.0096] [ 0.0026 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:30:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:30:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.789855280003819 -7.108058275000000 0.000000000000000 b 3.789855280003819 7.108058275000000 0.000000000000000 c -2.028714409111962 0.000000000000000 7.417063720086550 Atomic positions (fractional): 1 Th 0.85653045956335 0.14346954043665 0.50000000000000 232.038 2 Th 0.14346954043665 0.85653045956335 0.50000000000000 232.038 3 Te 0.89842893702468 0.89842893702468 0.16792770417445 127.600 4 Te 0.10157106297532 0.10157106297532 0.83207229582555 127.600 5 Te 0.33247622847600 0.33247622847600 0.60627624891042 127.600 6 Te 0.66752377152400 0.66752377152400 0.39372375108958 127.600 7 I 0.54256877182601 0.95884093960668 0.75119857781391 126.904 8 I 0.04115906039332 0.45743122817399 0.24880142218609 126.904 9 I 0.45743122817399 0.04115906039332 0.24880142218609 126.904 10 I 0.95884093960668 0.54256877182601 0.75119857781391 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.159421120015274 0.000000000000000 0.000000000000000 b 0.000000000000000 14.216116550000001 0.000000000000000 c -4.057428818223924 0.000000000000000 14.834127440173100 Atomic positions (fractional): 1 Th 0.25000000000000 0.64346954043665 0.25000000000000 232.038 > 1 2 Th 0.75000000000000 0.64346954043665 0.25000000000000 232.038 > 1 3 Th 0.25000000000000 0.64346954043665 0.75000000000000 232.038 > 1 4 Th 0.75000000000000 0.64346954043665 0.75000000000000 232.038 > 1 5 Th 0.00000000000000 0.85653045956335 0.25000000000000 232.038 > 5 6 Th 0.50000000000000 0.85653045956335 0.25000000000000 232.038 > 5 7 Th 0.00000000000000 0.85653045956335 0.75000000000000 232.038 > 5 8 Th 0.50000000000000 0.85653045956335 0.75000000000000 232.038 > 5 9 Th 0.00000000000000 0.14346954043665 0.25000000000000 232.038 > 1 10 Th 0.50000000000000 0.14346954043665 0.25000000000000 232.038 > 1 11 Th 0.00000000000000 0.14346954043665 0.75000000000000 232.038 > 1 12 Th 0.50000000000000 0.14346954043665 0.75000000000000 232.038 > 1 13 Th 0.25000000000000 0.35653045956335 0.25000000000000 232.038 > 5 14 Th 0.75000000000000 0.35653045956335 0.25000000000000 232.038 > 5 15 Th 0.25000000000000 0.35653045956335 0.75000000000000 232.038 > 5 16 Th 0.75000000000000 0.35653045956335 0.75000000000000 232.038 > 5 17 Te 0.44921446851234 0.00000000000000 0.08396385208722 127.600 > 17 18 Te 0.94921446851234 0.00000000000000 0.08396385208722 127.600 > 17 19 Te 0.44921446851234 0.00000000000000 0.58396385208723 127.600 > 17 20 Te 0.94921446851234 0.00000000000000 0.58396385208723 127.600 > 17 21 Te 0.05078553148766 0.00000000000000 0.41603614791277 127.600 > 21 22 Te 0.55078553148766 0.00000000000000 0.41603614791277 127.600 > 21 23 Te 0.05078553148766 0.00000000000000 0.91603614791277 127.600 > 21 24 Te 0.55078553148766 0.00000000000000 0.91603614791277 127.600 > 21 25 Te 0.16623811423800 0.00000000000000 0.30313812445521 127.600 > 25 26 Te 0.66623811423800 0.00000000000000 0.30313812445521 127.600 > 25 27 Te 0.16623811423800 0.00000000000000 0.80313812445521 127.600 > 25 28 Te 0.66623811423800 0.00000000000000 0.80313812445521 127.600 > 25 29 Te 0.33376188576200 0.00000000000000 0.19686187554479 127.600 > 29 30 Te 0.83376188576200 0.00000000000000 0.19686187554479 127.600 > 29 31 Te 0.33376188576200 0.00000000000000 0.69686187554479 127.600 > 29 32 Te 0.83376188576200 0.00000000000000 0.69686187554479 127.600 > 29 33 Te 0.19921446851234 0.50000000000000 0.08396385208722 127.600 > 17 34 Te 0.69921446851234 0.50000000000000 0.08396385208722 127.600 > 17 35 Te 0.19921446851234 0.50000000000000 0.58396385208723 127.600 > 17 36 Te 0.69921446851234 0.50000000000000 0.58396385208723 127.600 > 17 37 Te 0.30078553148766 0.50000000000000 0.41603614791277 127.600 > 21 38 Te 0.80078553148766 0.50000000000000 0.41603614791277 127.600 > 21 39 Te 0.30078553148766 0.50000000000000 0.91603614791277 127.600 > 21 40 Te 0.80078553148766 0.50000000000000 0.91603614791277 127.600 > 21 41 Te 0.41623811423800 0.50000000000000 0.30313812445521 127.600 > 25 42 Te 0.91623811423800 0.50000000000000 0.30313812445521 127.600 > 25 43 Te 0.41623811423800 0.50000000000000 0.80313812445521 127.600 > 25 44 Te 0.91623811423800 0.50000000000000 0.80313812445521 127.600 > 25 45 Te 0.08376188576200 0.50000000000000 0.19686187554479 127.600 > 29 46 Te 0.58376188576200 0.50000000000000 0.19686187554479 127.600 > 29 47 Te 0.08376188576200 0.50000000000000 0.69686187554479 127.600 > 29 48 Te 0.58376188576200 0.50000000000000 0.69686187554479 127.600 > 29 49 I 0.12535242785817 0.70813608389033 0.37559928890696 126.904 > 49 50 I 0.62535242785817 0.70813608389033 0.37559928890696 126.904 > 49 51 I 0.12535242785817 0.70813608389033 0.87559928890696 126.904 > 49 52 I 0.62535242785817 0.70813608389033 0.87559928890696 126.904 > 49 53 I 0.37464757214183 0.70813608389033 0.12440071109304 126.904 > 53 54 I 0.87464757214183 0.70813608389033 0.12440071109304 126.904 > 53 55 I 0.37464757214183 0.70813608389033 0.62440071109304 126.904 > 53 56 I 0.87464757214183 0.70813608389033 0.62440071109304 126.904 > 53 57 I 0.12464757214183 0.79186391610967 0.12440071109304 126.904 > 57 58 I 0.62464757214183 0.79186391610967 0.12440071109304 126.904 > 57 59 I 0.12464757214183 0.79186391610967 0.62440071109304 126.904 > 57 60 I 0.62464757214183 0.79186391610967 0.62440071109304 126.904 > 57 61 I 0.37535242785817 0.79186391610967 0.37559928890696 126.904 > 61 62 I 0.87535242785817 0.79186391610967 0.37559928890696 126.904 > 61 63 I 0.37535242785817 0.79186391610967 0.87559928890696 126.904 > 61 64 I 0.87535242785817 0.79186391610967 0.87559928890696 126.904 > 61 65 I 0.37535242785817 0.20813608389033 0.37559928890696 126.904 > 49 66 I 0.87535242785817 0.20813608389033 0.37559928890696 126.904 > 49 67 I 0.37535242785817 0.20813608389033 0.87559928890696 126.904 > 49 68 I 0.87535242785817 0.20813608389033 0.87559928890696 126.904 > 49 69 I 0.12464757214183 0.20813608389033 0.12440071109304 126.904 > 53 70 I 0.62464757214183 0.20813608389033 0.12440071109304 126.904 > 53 71 I 0.12464757214183 0.20813608389033 0.62440071109304 126.904 > 53 72 I 0.62464757214183 0.20813608389033 0.62440071109304 126.904 > 53 73 I 0.37464757214183 0.29186391610967 0.12440071109304 126.904 > 57 74 I 0.87464757214183 0.29186391610967 0.12440071109304 126.904 > 57 75 I 0.37464757214183 0.29186391610967 0.62440071109304 126.904 > 57 76 I 0.87464757214183 0.29186391610967 0.62440071109304 126.904 > 57 77 I 0.12535242785817 0.29186391610967 0.37559928890696 126.904 > 61 78 I 0.62535242785817 0.29186391610967 0.37559928890696 126.904 > 61 79 I 0.12535242785817 0.29186391610967 0.87559928890696 126.904 > 61 80 I 0.62535242785817 0.29186391610967 0.87559928890696 126.904 > 61 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.3275311 0.0000000 -2.3470023 0.0000000 6.8131810 0.0000000 -2.3470125 0.0000000 7.4029952 -------------------------- Born effective charges -------------------------- 1 Th 3.8605593 0.0000000 0.6912719 0.0000000 5.3673378 0.0000000 0.5330928 0.0000000 2.2963429 2 Th 3.8605593 0.0000000 0.6912719 0.0000000 5.3673378 0.0000000 0.5330928 0.0000000 2.2963429 3 Te -0.5975243 0.0000000 -0.7319067 0.0000000 -1.2871583 0.0000000 -0.2740911 0.0000000 0.0034203 4 Te -0.5975243 0.0000000 -0.7319067 0.0000000 -1.2871583 0.0000000 -0.2740911 0.0000000 0.0034203 5 Te -0.0234883 0.0000000 0.0353522 0.0000000 -1.1389145 0.0000000 -0.5337848 0.0000000 -0.8582878 6 Te -0.0234883 0.0000000 0.0353522 0.0000000 -1.1389145 0.0000000 -0.5337848 0.0000000 -0.8582878 7 I -1.6197734 1.0739755 0.0026413 0.9348437 -1.4706325 0.3451930 0.1373915 0.0941797 -0.7207377 8 I -1.6197734 -1.0739755 0.0026413 -0.9348437 -1.4706325 -0.3451930 0.1373915 -0.0941797 -0.7207377 9 I -1.6197734 1.0739755 0.0026413 0.9348437 -1.4706325 0.3451930 0.1373915 0.0941797 -0.7207377 10 I -1.6197734 -1.0739755 0.0026413 -0.9348437 -1.4706325 -0.3451930 0.1373915 -0.0941797 -0.7207377 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 7 ] 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: 0.56, Number of G-points: 315, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.057 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.542 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.141 ( 5.588 -4.890 4.221) 8.541 0.252 ( 11.352 -5.276 2.183) 12.707 0.445 ( 19.644 -12.063 -0.308) 23.055 1.072 ( 1.423 -0.545 0.390) 1.573 1.114 ( 1.754 0.333 0.405) 1.831 1.361 ( -4.213 2.150 0.982) 4.831 1.482 ( -4.104 0.401 -0.792) 4.199 1.560 ( -1.547 1.226 -0.325) 2.001 1.610 ( -2.440 -2.398 -0.244) 3.429 1.696 ( 2.352 0.826 0.885) 2.645 1.800 ( 2.169 -0.242 -0.173) 2.189 2.190 ( -2.275 1.869 -0.336) 2.964 2.314 ( -3.864 -0.374 -1.438) 4.140 2.427 ( -0.032 2.001 1.792) 2.686 2.643 ( 0.541 -0.999 -0.044) 1.136 2.680 ( 1.256 -0.222 -1.335) 1.846 2.768 ( 2.652 -0.836 0.548) 2.834 2.846 ( 0.536 0.544 0.362) 0.845 3.052 ( 2.678 2.056 -4.525) 5.646 3.112 ( -0.200 1.274 0.242) 1.313 3.221 ( -0.008 0.081 0.393) 0.402 3.456 ( -2.296 -1.196 -0.930) 2.751 3.606 ( -2.014 -1.797 -0.077) 2.701 3.697 ( 0.177 -0.909 -0.414) 1.014 3.886 ( -0.002 1.340 0.606) 1.471 4.088 ( -4.233 -0.602 0.564) 4.313 4.129 ( -8.768 -12.620 11.187) 19.008 4.342 ( 1.108 0.987 -0.141) 1.490 5.519 ( 3.241 -0.075 -2.843) 4.312 5.903 ( -2.491 0.440 3.226) 4.099 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( 7.384 -5.070 3.139) 9.492 0.478 ( 9.624 -4.244 1.699) 10.654 0.838 ( 15.831 -9.544 -0.354) 18.489 1.108 ( 1.202 -0.203 0.912) 1.523 1.152 ( 2.935 0.551 0.579) 3.042 1.248 ( -5.691 2.447 0.486) 6.214 1.411 ( -4.023 -0.023 -0.802) 4.102 1.506 ( -2.836 1.751 0.117) 3.335 1.589 ( -3.121 -2.883 -0.056) 4.249 1.711 ( 0.685 2.694 0.746) 2.878 1.842 ( 2.021 -0.992 -0.080) 2.253 2.121 ( -2.850 2.705 -0.493) 3.960 2.257 ( -2.431 -0.411 -1.440) 2.855 2.392 ( -2.413 2.290 1.623) 3.702 2.659 ( 0.595 -0.597 -0.106) 0.849 2.714 ( 2.701 -0.068 -1.003) 2.882 2.822 ( 2.571 -0.817 0.273) 2.711 2.860 ( 1.217 0.181 0.732) 1.432 3.027 ( -2.706 -1.037 -1.295) 3.174 3.126 ( 1.845 -0.044 -0.236) 1.861 3.227 ( 0.476 -0.118 0.602) 0.776 3.411 ( -2.900 0.269 -1.043) 3.094 3.592 ( -2.124 -3.765 -0.331) 4.335 3.704 ( 0.884 1.487 0.243) 1.746 3.867 ( -0.814 1.750 0.428) 1.977 4.019 ( -4.640 0.140 1.755) 4.963 4.141 ( -4.245 -6.098 3.516) 8.219 4.351 ( 1.567 1.123 -1.211) 2.277 5.575 ( 5.578 0.029 -5.291) 7.688 5.860 ( -4.540 0.144 5.099) 6.829 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 6.838 -4.006 1.722) 8.110 0.650 ( 6.451 -3.126 0.643) 7.197 1.027 ( -4.297 4.580 1.964) 6.580 1.109 ( 4.828 -3.281 -1.308) 5.982 1.207 ( 2.963 -2.879 0.194) 4.136 1.237 ( 4.536 0.159 0.352) 4.552 1.352 ( -3.401 -2.302 -0.576) 4.147 1.451 ( -2.085 0.849 0.476) 2.302 1.544 ( -4.113 -0.477 -0.181) 4.145 1.687 ( -0.375 2.923 0.502) 2.990 1.878 ( 1.375 -0.846 -0.284) 1.640 2.060 ( -1.668 1.875 -0.293) 2.526 2.231 ( -0.626 -0.642 -1.186) 1.487 2.337 ( -2.409 1.836 1.238) 3.271 2.671 ( 0.422 -0.164 -0.083) 0.460 2.747 ( 1.590 0.143 -0.479) 1.667 2.866 ( 1.754 -0.604 0.019) 1.856 2.883 ( 0.923 0.073 0.842) 1.252 2.994 ( -1.604 -0.858 -0.600) 1.916 3.150 ( 0.765 -0.430 0.114) 0.885 3.242 ( 0.478 -0.274 0.471) 0.725 3.355 ( -2.481 0.439 -0.918) 2.682 3.607 ( -0.886 -5.857 -0.733) 5.968 3.696 ( 0.726 4.410 0.855) 4.551 3.842 ( -0.805 0.233 -0.072) 0.841 3.958 ( -3.160 0.696 1.718) 3.664 4.126 ( -2.534 -1.981 0.238) 3.225 4.364 ( 1.106 0.320 -0.421) 1.226 5.649 ( 6.731 0.220 -6.919) 9.655 5.799 ( -6.008 -0.153 6.697) 8.999 ======================= Grid point 4 (5/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 0.000 0.000) 0.000 0.733 ( 0.000 0.000 0.000) 0.000 0.938 ( 0.000 -0.000 0.000) 0.000 1.147 ( 0.000 -0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.344 ( 0.000 -0.000 0.000) 0.000 1.438 ( 0.000 -0.000 0.000) 0.000 1.492 ( 0.000 -0.000 0.000) 0.000 1.668 ( 0.000 -0.000 0.000) 0.000 1.894 ( 0.000 -0.000 0.000) 0.000 2.036 ( 0.000 -0.000 0.000) 0.000 2.229 ( 0.000 -0.000 0.000) 0.000 2.307 ( 0.000 -0.000 -0.000) 0.000 2.675 ( 0.000 -0.000 0.000) 0.000 2.759 ( 0.000 -0.000 0.000) 0.000 2.888 ( 0.000 -0.000 -0.000) 0.000 2.889 ( -0.000 0.000 0.000) 0.000 2.984 ( 0.000 -0.000 0.000) 0.000 3.160 ( 0.000 -0.000 0.000) 0.000 3.246 ( 0.000 -0.000 0.000) 0.000 3.329 ( 0.000 -0.000 0.000) 0.000 3.644 ( -0.000 -0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 -0.000 0.000) 0.000 3.927 ( 0.000 -0.000 0.000) 0.000 4.111 ( 0.000 -0.000 0.000) 0.000 4.371 ( 0.000 -0.000 0.000) 0.000 5.723 ( -0.000 -0.000 0.000) 0.000 5.730 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/129) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 7.945 0.000 6.051) 9.987 0.456 ( 13.192 0.000 0.424) 13.198 0.725 ( 18.054 0.000 -0.011) 18.054 1.108 ( 2.885 0.000 0.940) 3.034 1.160 ( 3.353 0.000 0.294) 3.366 1.269 ( -7.948 -0.000 1.181) 8.036 1.411 ( -4.664 -0.000 -0.935) 4.757 1.541 ( -1.516 -0.000 -0.249) 1.537 1.543 ( -3.837 -0.000 0.333) 3.852 1.737 ( 1.099 0.000 0.878) 1.406 1.831 ( 1.995 0.000 -0.329) 2.022 2.147 ( -3.407 -0.000 -0.393) 3.429 2.252 ( -2.533 -0.000 -1.295) 2.845 2.413 ( -3.110 -0.000 1.704) 3.547 2.652 ( 0.862 0.000 0.137) 0.873 2.713 ( 3.085 0.000 -1.298) 3.347 2.816 ( 3.256 0.000 -0.090) 3.258 2.865 ( 1.204 0.000 0.079) 1.207 3.017 ( -2.730 -0.000 -1.513) 3.121 3.134 ( 1.287 0.000 -1.271) 1.809 3.226 ( 0.254 0.000 0.689) 0.734 3.407 ( -2.765 -0.000 -0.870) 2.898 3.546 ( -3.088 -0.000 -0.024) 3.088 3.699 ( 1.059 0.000 -0.403) 1.133 3.953 ( 2.951 0.000 0.664) 3.025 3.987 ( -4.451 -0.000 0.620) 4.494 4.065 ( -3.628 -0.000 6.906) 7.801 4.362 ( 1.078 0.000 -1.269) 1.665 5.575 ( 5.647 0.000 -5.189) 7.669 5.862 ( -4.750 -0.000 5.166) 7.018 ======================= Grid point 11 (7/129) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 8.625 -1.523 4.248) 9.734 0.651 ( 10.644 2.280 0.532) 10.899 0.982 ( 9.015 -6.442 -0.847) 11.113 1.113 ( -6.275 3.769 1.441) 7.461 1.177 ( -0.146 -1.910 1.706) 2.566 1.242 ( 6.809 0.572 0.243) 6.837 1.322 ( -5.391 -1.174 -0.929) 5.595 1.477 ( -2.275 1.616 0.078) 2.792 1.519 ( -2.691 -1.568 0.017) 3.114 1.736 ( -0.618 1.774 0.757) 2.026 1.863 ( 1.770 -0.670 -0.905) 2.098 2.088 ( -2.804 0.981 -0.010) 2.971 2.222 ( -0.562 -0.304 -1.177) 1.340 2.360 ( -3.381 0.701 1.420) 3.733 2.665 ( 0.197 -0.290 0.664) 0.750 2.751 ( 1.825 0.116 -0.847) 2.016 2.865 ( 2.704 0.362 -0.667) 2.809 2.887 ( 1.351 0.173 0.192) 1.375 2.980 ( -1.130 -0.569 -0.905) 1.555 3.151 ( 1.609 0.367 -0.684) 1.787 3.238 ( 0.793 -0.102 0.692) 1.057 3.352 ( -3.431 -0.572 -1.091) 3.646 3.515 ( -2.195 -3.349 -0.222) 4.010 3.721 ( 1.542 -0.015 -0.236) 1.560 3.908 ( -1.714 3.527 0.891) 4.021 3.976 ( -0.925 2.850 1.787) 3.489 4.067 ( -1.290 -4.634 1.965) 5.196 4.367 ( 0.446 0.123 -1.043) 1.141 5.652 ( 6.784 0.095 -6.715) 9.546 5.798 ( -6.185 -0.030 6.716) 9.130 ======================= Grid point 12 (8/129) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 5.781 0.456 2.658) 6.379 0.755 ( 5.291 3.725 -0.782) 6.518 0.972 ( -5.805 3.015 1.369) 6.684 1.128 ( 2.170 -3.913 -1.370) 4.680 1.196 ( -1.365 -4.381 1.974) 4.995 1.244 ( -3.547 -2.919 -0.043) 4.594 1.364 ( 4.851 1.193 1.092) 5.114 1.458 ( 1.794 1.045 -0.418) 2.118 1.485 ( -1.272 -0.170 -1.082) 1.679 1.699 ( -1.497 2.534 0.673) 3.019 1.888 ( 0.994 -0.519 -0.980) 1.489 2.044 ( -1.573 0.703 0.495) 1.793 2.226 ( 1.071 -0.294 -0.684) 1.305 2.310 ( -2.395 0.293 0.851) 2.559 2.670 ( -0.401 -0.391 1.088) 1.224 2.762 ( 0.147 0.236 -0.499) 0.571 2.889 ( 1.182 0.468 -1.091) 1.675 2.898 ( 0.218 0.594 -0.062) 0.636 2.981 ( 1.056 -0.237 -0.583) 1.229 3.170 ( 1.429 1.063 -0.483) 1.845 3.250 ( 0.303 0.503 0.309) 0.664 3.313 ( -1.350 -1.730 -0.591) 2.273 3.532 ( -0.736 -6.016 -0.471) 6.079 3.736 ( 0.977 2.650 0.268) 2.837 3.880 ( 0.999 1.256 0.287) 1.631 3.935 ( -0.623 3.433 1.053) 3.645 4.097 ( 0.636 -1.975 0.799) 2.224 4.366 ( -0.366 -0.447 -0.586) 0.823 5.721 ( -5.429 -0.149 6.139) 8.197 5.733 ( 5.334 0.197 -5.867) 7.932 ======================= Grid point 13 (9/129) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -3.194 6.795 1.389) 7.636 0.744 ( -1.444 6.577 -1.930) 7.005 0.948 ( 2.641 -3.693 -0.031) 4.540 1.112 ( -3.432 -1.083 -0.583) 3.645 1.220 ( -2.393 -2.454 0.216) 3.435 1.231 ( -2.061 -1.414 2.067) 3.244 1.405 ( 2.166 2.047 0.983) 3.139 1.468 ( 0.688 2.221 -1.786) 2.932 1.514 ( 4.298 -2.042 -0.088) 4.760 1.668 ( -0.281 0.761 0.119) 0.820 1.890 ( -0.596 0.441 -0.392) 0.839 2.033 ( -0.161 -1.017 0.626) 1.204 2.242 ( 0.542 0.532 1.129) 1.361 2.301 ( 0.706 -2.006 -0.956) 2.332 2.670 ( -0.415 -0.112 1.053) 1.137 2.749 ( -1.168 0.287 -0.154) 1.212 2.879 ( -1.290 0.726 -0.614) 1.603 2.888 ( -0.182 0.658 -1.413) 1.569 3.007 ( 2.343 0.644 0.129) 2.433 3.168 ( 0.345 1.646 -0.742) 1.839 3.247 ( -0.356 0.231 -0.325) 0.535 3.335 ( 1.879 -1.693 0.561) 2.591 3.578 ( -0.779 -6.951 -0.585) 7.019 3.701 ( -0.974 4.497 0.435) 4.622 3.909 ( 4.091 5.510 0.053) 6.863 3.929 ( 1.926 -2.068 -0.819) 2.942 4.143 ( 3.501 -0.102 1.295) 3.734 4.355 ( -1.342 -0.612 -0.339) 1.514 5.645 ( -6.657 -0.207 7.192) 9.802 5.803 ( 5.855 0.246 -6.679) 8.885 ======================= Grid point 14 (10/129) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -5.218 8.805 0.268) 10.238 0.606 ( -4.726 9.307 -2.652) 10.770 0.959 ( -7.277 2.875 0.390) 7.834 1.100 ( 1.659 -2.936 -2.651) 4.289 1.172 ( -3.835 3.552 1.104) 5.342 1.204 ( 0.204 -1.227 1.638) 2.056 1.416 ( 2.215 0.991 -0.000) 2.427 1.487 ( 2.614 -0.319 -0.133) 2.637 1.612 ( 4.008 -2.472 -0.337) 4.721 1.667 ( -0.071 -0.281 -0.227) 0.368 1.860 ( -1.775 1.099 -0.135) 2.092 2.064 ( 1.310 -3.342 0.579) 3.636 2.258 ( 1.093 -0.447 1.836) 2.183 2.342 ( 1.638 -2.904 -1.600) 3.698 2.668 ( -0.006 0.494 0.757) 0.904 2.720 ( -1.930 0.534 0.179) 2.011 2.840 ( -2.063 1.010 -0.570) 2.367 2.865 ( -0.804 0.685 -1.726) 2.023 3.047 ( 3.018 1.087 0.918) 3.336 3.147 ( -0.794 2.199 -0.684) 2.436 3.229 ( -1.074 0.121 -0.428) 1.162 3.394 ( 2.715 -1.479 0.779) 3.189 3.615 ( -1.674 -6.485 -0.546) 6.719 3.652 ( -0.553 3.085 0.051) 3.135 3.925 ( 4.028 5.721 0.841) 7.047 3.998 ( 4.196 -2.153 -2.459) 5.318 4.222 ( 6.685 2.509 0.273) 7.146 4.332 ( -1.918 -0.529 0.305) 2.013 5.574 ( -5.408 -0.026 5.556) 7.754 5.859 ( 4.293 0.052 -5.057) 6.634 ======================= Grid point 15 (11/129) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( -3.034 9.631 -0.327) 10.103 0.417 ( -4.884 11.411 -3.090) 12.791 0.712 ( -10.722 15.881 1.026) 19.189 1.094 ( -1.232 1.770 -0.738) 2.279 1.106 ( -1.840 -0.420 -0.348) 1.919 1.289 ( 3.303 -5.460 0.002) 6.381 1.467 ( 3.324 -1.225 0.350) 3.560 1.529 ( 1.068 -1.548 0.219) 1.893 1.660 ( 1.438 2.310 0.266) 2.734 1.670 ( -0.058 -1.916 -0.740) 2.055 1.816 ( -2.027 1.366 -0.201) 2.453 2.131 ( 1.811 -4.500 0.332) 4.862 2.304 ( 2.039 -2.007 2.017) 3.501 2.377 ( 0.194 -2.729 -1.825) 3.288 2.668 ( 0.394 1.486 0.086) 1.539 2.686 ( -1.244 0.526 0.810) 1.575 2.790 ( -2.238 1.468 -0.793) 2.792 2.844 ( -0.174 0.277 -1.322) 1.362 3.063 ( -2.697 3.116 2.174) 4.659 3.111 ( 1.334 0.799 -0.958) 1.826 3.218 ( -0.215 -0.361 -0.334) 0.537 3.449 ( 2.030 -1.286 0.670) 2.495 3.629 ( -0.761 -0.399 -0.409) 0.951 3.636 ( -1.065 -3.905 -0.148) 4.050 3.945 ( 3.148 4.940 1.288) 5.998 4.070 ( 3.601 -1.706 -2.846) 4.897 4.309 ( -0.340 -2.361 -0.391) 2.417 4.323 ( 9.583 7.146 -0.968) 11.993 5.521 ( -3.103 0.205 2.952) 4.288 5.896 ( 2.206 -0.192 -2.788) 3.560 ======================= Grid point 16 (12/129) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.173 ( 0.000 9.830 0.000) 9.830 0.252 ( 0.000 13.582 0.000) 13.582 0.418 ( 0.000 23.195 0.000) 23.195 1.067 ( 0.000 1.208 0.000) 1.208 1.095 ( -0.000 -0.467 -0.000) 0.467 1.362 ( -0.000 -4.402 -0.000) 4.402 1.527 ( -0.000 -1.111 -0.000) 1.111 1.549 ( -0.000 -3.451 -0.000) 3.451 1.661 ( -0.000 -0.485 -0.000) 0.485 1.666 ( 0.000 2.566 0.000) 2.566 1.777 ( 0.000 1.889 0.000) 1.889 2.186 ( -0.000 -3.603 -0.000) 3.603 2.371 ( -0.000 -4.515 -0.000) 4.515 2.374 ( -0.000 -0.119 -0.000) 0.119 2.650 ( 0.000 1.627 0.000) 1.627 2.685 ( 0.000 0.441 0.000) 0.441 2.747 ( 0.000 1.577 0.000) 1.577 2.843 ( -0.000 -0.149 -0.000) 0.149 2.980 ( 0.000 4.554 0.000) 4.554 3.127 ( 0.000 0.199 0.000) 0.199 3.219 ( -0.000 -0.281 -0.000) 0.281 3.483 ( -0.000 -1.271 -0.000) 1.271 3.621 ( 0.000 0.367 0.000) 0.367 3.663 ( -0.000 -4.827 -0.000) 4.827 3.939 ( 0.000 4.223 0.000) 4.223 4.110 ( -0.000 -1.433 -0.000) 1.433 4.315 ( -0.000 -1.983 -0.000) 1.983 4.432 ( 0.000 1.735 0.000) 1.735 5.499 ( 0.000 0.241 0.000) 0.241 5.908 ( -0.000 -0.054 -0.000) 0.054 ======================= Grid point 19 (13/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 8.074 0.000 2.612) 8.486 0.824 ( 6.037 0.000 1.329) 6.182 1.015 ( -5.230 -0.000 0.147) 5.232 1.033 ( 2.668 0.000 -1.010) 2.853 1.178 ( -0.814 -0.000 3.106) 3.211 1.207 ( -6.397 -0.000 -0.891) 6.459 1.375 ( 5.882 0.000 0.825) 5.940 1.464 ( -3.555 -0.000 0.660) 3.615 1.488 ( 3.947 0.000 -1.854) 4.361 1.726 ( -1.881 -0.000 0.792) 2.041 1.882 ( 1.511 0.000 -1.422) 2.075 2.052 ( -2.166 -0.000 0.671) 2.267 2.223 ( 1.311 0.000 -0.902) 1.591 2.314 ( -3.196 -0.000 1.134) 3.391 2.666 ( -0.371 -0.000 1.413) 1.461 2.764 ( 0.110 0.000 -0.518) 0.529 2.896 ( 1.112 0.000 -1.456) 1.832 2.904 ( 0.544 0.000 -0.245) 0.597 2.978 ( 1.628 0.000 -0.795) 1.811 3.185 ( 2.474 0.000 -0.826) 2.608 3.261 ( 1.686 0.000 0.669) 1.814 3.285 ( -3.373 -0.000 -1.049) 3.533 3.474 ( -0.828 -0.000 -0.056) 0.830 3.760 ( 3.354 0.000 -0.585) 3.404 3.874 ( -3.392 -0.000 1.200) 3.598 4.021 ( 0.965 0.000 1.474) 1.762 4.042 ( 1.574 0.000 0.839) 1.783 4.362 ( -0.551 -0.000 -0.848) 1.012 5.720 ( -6.023 -0.000 6.821) 9.100 5.735 ( 5.886 0.000 -6.435) 8.721 ======================= Grid point 20 (14/129) ======================= q-point: (-0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 2.507 4.095 1.087) 4.923 0.818 ( -2.535 0.067 0.188) 2.543 0.958 ( 0.999 6.605 0.201) 6.683 1.093 ( -3.358 -2.235 -1.553) 4.322 1.128 ( -0.236 -6.123 1.139) 6.232 1.201 ( 1.307 -1.275 1.914) 2.645 1.412 ( -1.688 -0.584 0.948) 2.022 1.447 ( 2.476 -0.863 0.064) 2.623 1.558 ( 4.596 2.498 -1.823) 5.540 1.687 ( -2.214 0.812 0.621) 2.439 1.894 ( 0.340 0.094 -0.836) 0.908 2.024 ( -1.595 -0.134 0.826) 1.801 2.248 ( 0.800 0.157 0.841) 1.171 2.274 ( -1.103 -0.865 -0.576) 1.516 2.669 ( 0.012 0.016 1.484) 1.484 2.753 ( -1.037 0.103 -0.276) 1.078 2.890 ( -0.700 0.400 -1.595) 1.787 2.898 ( -0.631 0.306 -1.019) 1.237 3.015 ( 2.961 0.269 -0.183) 2.979 3.205 ( 1.028 2.354 -1.184) 2.829 3.243 ( -0.903 -1.005 -0.786) 1.563 3.307 ( 2.627 -1.053 0.694) 2.914 3.481 ( -0.377 -3.278 0.002) 3.300 3.779 ( -0.774 4.505 -0.080) 4.572 3.860 ( 1.729 -4.368 -0.894) 4.782 4.026 ( 2.742 5.911 1.098) 6.608 4.115 ( 4.045 -3.094 1.626) 5.346 4.346 ( -0.879 -0.265 -0.607) 1.101 5.642 ( -6.607 -0.082 7.374) 9.901 5.807 ( 5.791 0.124 -6.664) 8.830 ======================= Grid point 21 (15/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -4.405 8.577 1.196) 9.716 0.754 ( -4.080 5.306 -2.642) 7.196 0.978 ( 4.039 0.264 0.109) 4.049 1.031 ( -3.478 -2.010 -0.627) 4.066 1.177 ( -0.708 -2.031 0.834) 2.307 1.234 ( 1.226 1.934 2.086) 3.097 1.436 ( 1.245 -1.650 -0.228) 2.079 1.489 ( 1.795 -0.002 -0.362) 1.832 1.558 ( 0.995 1.061 -0.151) 1.462 1.674 ( 0.380 -0.477 -0.312) 0.685 1.879 ( -1.294 0.918 -0.090) 1.590 2.017 ( -0.496 -1.866 0.534) 2.003 2.238 ( -1.794 -1.675 1.667) 2.967 2.305 ( 2.528 -1.112 -1.265) 3.038 2.678 ( 0.539 0.498 1.091) 1.315 2.729 ( -1.478 0.405 -0.126) 1.538 2.857 ( -1.648 0.887 -1.018) 2.131 2.875 ( -1.050 0.203 -1.838) 2.126 3.063 ( 3.146 0.728 0.680) 3.300 3.188 ( 0.364 1.873 -1.120) 2.213 3.233 ( -0.913 0.541 -0.719) 1.282 3.368 ( 2.992 -1.124 0.657) 3.263 3.509 ( -0.930 -4.991 -0.070) 5.078 3.713 ( -1.793 3.568 -0.198) 3.998 3.946 ( 4.406 -3.369 -2.121) 5.939 4.021 ( 1.993 4.696 1.091) 5.217 4.222 ( 4.033 -1.841 1.325) 4.627 4.342 ( 1.932 1.239 0.105) 2.298 5.574 ( -5.239 -0.011 5.828) 7.837 5.861 ( 4.169 0.139 -5.094) 6.584 ======================= Grid point 22 (16/129) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -3.044 9.308 0.465) 9.804 0.599 ( -4.855 8.438 -2.117) 9.962 0.955 ( -0.367 10.678 0.840) 10.717 1.053 ( -0.569 -5.897 -2.067) 6.275 1.156 ( -2.162 3.910 0.783) 4.536 1.227 ( 1.057 0.867 1.413) 1.967 1.446 ( 1.503 -0.797 -0.615) 1.809 1.514 ( 0.670 -0.284 0.289) 0.783 1.615 ( 1.567 -3.968 -0.217) 4.272 1.686 ( 0.899 -0.162 -0.180) 0.931 1.842 ( -1.549 1.494 -0.018) 2.152 2.048 ( 0.662 -4.382 0.239) 4.438 2.245 ( -1.114 -3.915 1.286) 4.268 2.347 ( 1.813 -0.959 -0.830) 2.213 2.688 ( 0.935 0.853 0.609) 1.405 2.700 ( -1.193 0.875 0.025) 1.480 2.816 ( -1.543 1.382 -0.672) 2.178 2.849 ( -0.783 0.120 -1.512) 1.707 3.107 ( 2.141 1.079 1.573) 2.867 3.158 ( -0.807 4.379 -1.438) 4.679 3.209 ( -0.767 -0.520 -0.248) 0.959 3.424 ( 2.052 -1.316 0.420) 2.474 3.535 ( -1.272 -5.206 -0.196) 5.363 3.666 ( -0.542 2.501 -0.142) 2.563 4.014 ( 1.454 1.828 0.420) 2.373 4.037 ( 3.651 -0.987 -1.720) 4.155 4.258 ( -1.550 -2.948 0.410) 3.356 4.411 ( 7.289 3.279 0.455) 8.005 5.525 ( -2.928 0.216 3.157) 4.312 5.895 ( 2.180 0.030 -2.741) 3.502 ======================= Grid point 23 (17/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( 0.000 9.734 0.000) 9.734 0.465 ( 0.000 10.305 0.000) 10.305 0.802 ( 0.000 19.894 0.000) 19.894 1.076 ( -0.000 -2.538 -0.000) 2.538 1.101 ( 0.000 2.883 0.000) 2.883 1.268 ( -0.000 -4.715 -0.000) 4.715 1.490 ( -0.000 -3.202 -0.000) 3.202 1.515 ( -0.000 -0.220 -0.000) 0.220 1.645 ( -0.000 -1.553 -0.000) 1.553 1.697 ( 0.000 0.584 0.000) 0.584 1.811 ( 0.000 1.910 0.000) 1.910 2.103 ( -0.000 -5.441 -0.000) 5.441 2.281 ( -0.000 -5.313 -0.000) 5.313 2.368 ( -0.000 -0.576 -0.000) 0.576 2.677 ( 0.000 1.387 0.000) 1.387 2.695 ( 0.000 0.647 0.000) 0.647 2.782 ( 0.000 2.130 0.000) 2.130 2.840 ( -0.000 -0.230 -0.000) 0.230 3.081 ( 0.000 6.449 0.000) 6.449 3.132 ( 0.000 0.350 0.000) 0.350 3.210 ( -0.000 -0.718 -0.000) 0.718 3.457 ( -0.000 -1.521 -0.000) 1.521 3.565 ( -0.000 -5.148 -0.000) 5.148 3.645 ( 0.000 1.613 0.000) 1.613 4.006 ( 0.000 2.982 0.000) 2.982 4.081 ( -0.000 -1.680 -0.000) 1.680 4.268 ( -0.000 -3.136 -0.000) 3.136 4.467 ( 0.000 2.028 0.000) 2.028 5.505 ( 0.000 0.349 0.000) 0.349 5.907 ( -0.000 -0.022 -0.000) 0.022 ======================= Grid point 28 (18/129) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -6.694 -0.000 1.500) 6.860 0.753 ( 0.460 0.000 -1.847) 1.904 0.965 ( -5.253 -0.000 -1.602) 5.492 1.098 ( 0.874 0.000 0.383) 0.955 1.100 ( 4.750 0.000 2.052) 5.174 1.260 ( 4.711 0.000 0.391) 4.727 1.385 ( 0.113 0.000 0.747) 0.755 1.489 ( 2.076 0.000 0.169) 2.083 1.619 ( 1.667 0.000 -1.601) 2.311 1.644 ( -3.210 -0.000 0.569) 3.261 1.888 ( -1.003 -0.000 -0.017) 1.003 2.001 ( -1.260 -0.000 0.505) 1.358 2.219 ( -2.874 -0.000 1.265) 3.140 2.297 ( 2.775 0.000 -0.891) 2.915 2.683 ( 0.717 0.000 1.185) 1.385 2.732 ( -1.326 -0.000 -0.154) 1.335 2.868 ( -1.125 -0.000 -1.710) 2.047 2.873 ( -1.638 -0.000 -1.262) 2.067 3.070 ( 3.172 0.000 0.621) 3.233 3.203 ( -1.062 -0.000 -0.696) 1.270 3.243 ( 1.257 0.000 -1.780) 2.179 3.359 ( 3.273 0.000 0.762) 3.360 3.459 ( -0.730 -0.000 0.342) 0.806 3.754 ( -2.945 -0.000 -0.367) 2.967 3.906 ( 5.480 0.000 -1.892) 5.797 4.071 ( -0.322 -0.000 1.574) 1.606 4.195 ( 3.958 0.000 0.632) 4.008 4.355 ( 3.387 0.000 0.522) 3.427 5.574 ( -5.169 -0.000 5.940) 7.874 5.863 ( 4.129 0.000 -5.119) 6.577 ======================= Grid point 30 (19/129) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -4.216 5.251 0.778) 6.779 0.708 ( -3.108 4.337 -1.639) 5.582 0.919 ( -2.363 -6.835 -0.782) 7.274 1.084 ( 0.708 3.592 0.182) 3.665 1.201 ( 4.795 1.412 1.195) 5.139 1.306 ( 2.283 5.337 0.709) 5.848 1.431 ( 1.072 -2.506 -0.801) 2.841 1.514 ( 0.948 0.007 0.401) 1.029 1.570 ( -0.577 1.437 0.020) 1.549 1.645 ( -1.514 -4.250 -0.527) 4.543 1.864 ( -1.344 0.755 0.289) 1.568 1.994 ( -0.404 -1.537 0.161) 1.597 2.191 ( -1.890 -1.819 0.774) 2.735 2.336 ( 1.917 -0.352 -0.395) 1.989 2.699 ( 0.822 0.347 0.707) 1.138 2.711 ( -0.921 0.357 -0.106) 0.993 2.836 ( -1.256 0.825 -0.843) 1.723 2.847 ( -1.045 -0.309 -1.273) 1.676 3.119 ( 2.247 0.370 1.039) 2.503 3.191 ( -0.177 -0.307 -0.452) 0.574 3.235 ( -0.190 2.544 -1.365) 2.894 3.409 ( 2.129 -0.306 0.410) 2.189 3.460 ( -0.811 -2.785 0.230) 2.910 3.709 ( -1.163 1.804 -0.303) 2.168 3.990 ( 4.473 -1.591 -2.480) 5.356 4.061 ( -0.853 1.074 1.988) 2.415 4.217 ( -0.843 -1.319 -0.246) 1.585 4.448 ( 5.962 1.016 1.017) 6.133 5.528 ( -2.808 0.092 3.310) 4.342 5.896 ( 2.127 0.042 -2.787) 3.506 ======================= Grid point 31 (20/129) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.000 7.549 0.000) 7.549 0.614 ( 0.000 7.221 0.000) 7.221 0.973 ( -0.000 -8.489 -0.000) 8.489 1.053 ( 0.000 6.244 0.000) 6.244 1.216 ( 0.000 11.852 0.000) 11.852 1.246 ( 0.000 1.642 0.000) 1.642 1.442 ( -0.000 -1.948 -0.000) 1.948 1.517 ( 0.000 0.374 0.000) 0.374 1.604 ( -0.000 -2.914 -0.000) 2.914 1.668 ( -0.000 -4.394 -0.000) 4.394 1.842 ( 0.000 1.435 0.000) 1.435 2.016 ( -0.000 -3.742 -0.000) 3.742 2.200 ( -0.000 -3.522 -0.000) 3.522 2.356 ( -0.000 -0.625 -0.000) 0.625 2.697 ( 0.000 0.823 0.000) 0.823 2.705 ( 0.000 0.482 0.000) 0.482 2.813 ( 0.000 1.285 0.000) 1.285 2.836 ( -0.000 -0.177 -0.000) 0.177 3.139 ( 0.000 0.398 0.000) 0.398 3.189 ( 0.000 5.316 0.000) 5.316 3.195 ( -0.000 -0.870 -0.000) 0.870 3.435 ( -0.000 -0.853 -0.000) 0.853 3.482 ( -0.000 -4.034 -0.000) 4.034 3.682 ( 0.000 2.290 0.000) 2.290 4.034 ( 0.000 0.151 0.000) 0.151 4.056 ( -0.000 -1.045 -0.000) 1.045 4.219 ( -0.000 -1.979 -0.000) 1.979 4.497 ( 0.000 1.241 0.000) 1.241 5.511 ( 0.000 0.253 0.000) 0.253 5.907 ( 0.000 0.022 0.000) 0.022 ======================= Grid point 39 (21/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 73 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 0.000 0.000) 0.000 0.715 ( 0.000 0.000 0.000) 0.000 0.853 ( 0.000 0.000 0.000) 0.000 1.094 ( 0.000 0.000 0.000) 0.000 1.271 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.436 ( 0.000 0.000 0.000) 0.000 1.525 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 5.513 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/129) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.108 ( 6.357 0.000 5.247) 8.243 0.162 ( -2.182 -0.000 7.937) 8.231 0.339 ( -4.297 -0.000 16.823) 17.363 1.037 ( 1.182 0.000 -1.917) 2.252 1.117 ( 0.075 0.000 1.398) 1.400 1.385 ( 1.561 0.000 -1.461) 2.139 1.543 ( -0.741 -0.000 0.094) 0.747 1.571 ( -1.943 -0.000 0.663) 2.053 1.586 ( 0.793 0.000 -3.165) 3.263 1.663 ( 1.993 0.000 -0.354) 2.024 1.792 ( -1.302 -0.000 2.796) 3.084 2.199 ( 0.250 0.000 -2.002) 2.018 2.339 ( -1.709 -0.000 -1.845) 2.515 2.432 ( 2.555 0.000 1.054) 2.764 2.634 ( -0.206 -0.000 0.240) 0.316 2.693 ( -3.038 -0.000 1.093) 3.229 2.733 ( 1.536 0.000 0.082) 1.538 2.830 ( 0.560 0.000 -1.201) 1.326 2.976 ( -7.383 -0.000 1.342) 7.504 3.107 ( 0.316 0.000 -1.977) 2.002 3.193 ( 1.292 0.000 -2.501) 2.815 3.459 ( -0.673 -0.000 0.210) 0.705 3.615 ( 0.498 0.000 -0.135) 0.516 3.679 ( -0.749 -0.000 0.101) 0.756 3.782 ( 13.606 0.000 -0.008) 13.606 3.880 ( 0.754 0.000 -0.876) 1.156 4.100 ( 0.179 0.000 -2.316) 2.323 4.413 ( 1.278 0.000 1.405) 1.899 5.524 ( -4.026 -0.000 2.683) 4.838 5.899 ( 4.102 0.000 -1.483) 4.362 ======================= Grid point 70 (23/129) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 7.841 -0.424 5.793) 9.758 0.404 ( 1.736 -7.318 11.327) 13.597 0.472 ( 18.211 -7.929 3.326) 20.139 1.062 ( 2.322 -0.497 -1.378) 2.745 1.131 ( 1.256 0.323 1.261) 1.809 1.371 ( -2.469 2.203 -0.129) 3.311 1.470 ( -4.933 0.367 -0.308) 4.956 1.542 ( -1.412 1.668 -1.519) 2.662 1.578 ( -1.621 -2.672 -2.141) 3.788 1.708 ( 2.628 0.919 0.230) 2.794 1.822 ( 1.755 -0.907 2.182) 2.943 2.168 ( -1.773 1.930 -1.920) 3.248 2.281 ( -3.411 0.101 -1.726) 3.824 2.462 ( 0.414 1.997 1.532) 2.551 2.646 ( 0.695 -1.119 0.399) 1.376 2.663 ( -0.199 -0.513 -0.274) 0.615 2.779 ( 2.461 -1.143 0.498) 2.759 2.856 ( 1.288 -0.216 0.014) 1.306 2.978 ( 2.654 -1.576 -1.782) 3.564 3.097 ( 0.011 -0.266 -1.552) 1.575 3.204 ( 1.340 0.056 -1.902) 2.327 3.440 ( -2.327 -0.649 -0.544) 2.476 3.605 ( -1.956 -1.275 0.065) 2.336 3.688 ( 0.258 -1.683 -0.406) 1.751 3.871 ( 2.835 4.600 -1.807) 5.698 4.057 ( 2.720 -8.861 -5.254) 10.655 4.074 ( 2.964 -0.598 -4.619) 5.521 4.395 ( -3.000 1.766 2.078) 4.054 5.489 ( -0.899 0.066 -0.220) 0.928 5.937 ( 0.959 0.370 0.513) 1.149 ======================= Grid point 71 (24/129) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 7.063 -0.077 6.499) 9.598 0.560 ( 4.635 -5.869 6.535) 9.932 0.843 ( 15.172 -8.209 0.816) 17.270 1.106 ( 2.860 -0.192 -0.929) 3.014 1.166 ( 2.404 0.039 0.625) 2.484 1.263 ( -5.981 3.787 0.941) 7.142 1.398 ( -4.034 -0.304 -0.531) 4.080 1.486 ( -2.366 1.399 -1.911) 3.348 1.565 ( -2.075 -2.960 -1.926) 4.096 1.717 ( 0.584 2.969 -0.046) 3.026 1.864 ( 0.910 -1.232 1.977) 2.501 2.104 ( -1.983 2.809 -1.239) 3.655 2.226 ( -2.147 -0.175 -1.596) 2.681 2.427 ( -2.445 2.510 1.877) 3.975 2.662 ( 0.689 0.040 0.394) 0.795 2.697 ( 2.483 -0.986 -0.615) 2.742 2.829 ( 2.204 -0.942 0.363) 2.424 2.880 ( 1.022 -0.728 1.111) 1.676 2.989 ( -1.253 -1.295 -2.316) 2.934 3.118 ( 1.650 -1.404 -0.623) 2.254 3.221 ( 1.565 -0.138 -1.014) 1.870 3.393 ( -3.152 -0.020 -0.727) 3.235 3.588 ( -2.329 -3.423 -0.103) 4.142 3.705 ( 0.914 0.028 -0.054) 0.916 3.855 ( 0.859 4.135 -1.532) 4.492 4.018 ( -2.903 -0.759 -1.431) 3.324 4.143 ( -1.361 -4.074 -3.344) 5.444 4.356 ( -0.093 1.404 1.823) 2.303 5.489 ( 2.046 0.361 -3.474) 4.047 5.936 ( -1.639 0.139 2.648) 3.118 ======================= Grid point 72 (25/129) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 5.731 0.250 5.078) 7.661 0.694 ( 3.304 -4.345 3.736) 6.614 1.059 ( -6.406 5.024 1.127) 8.218 1.077 ( 6.020 -3.204 -1.451) 6.972 1.220 ( 3.453 -1.776 0.646) 3.937 1.234 ( 5.203 1.539 -0.433) 5.443 1.344 ( -3.239 -2.771 -0.172) 4.266 1.435 ( -1.682 -0.176 -1.884) 2.532 1.529 ( -3.653 -0.917 -1.156) 3.940 1.687 ( -0.101 3.522 -0.477) 3.556 1.891 ( 0.111 -1.394 1.434) 2.003 2.055 ( -0.688 2.199 -0.203) 2.313 2.202 ( -0.279 -0.600 -1.543) 1.679 2.371 ( -2.676 2.090 2.006) 3.944 2.672 ( 0.825 0.877 0.346) 1.252 2.737 ( 1.595 -0.703 -0.498) 1.812 2.869 ( 1.271 -0.902 0.228) 1.575 2.905 ( 0.178 -0.658 1.244) 1.418 2.970 ( -0.800 -1.121 -1.749) 2.226 3.147 ( 0.713 -1.155 -0.434) 1.425 3.240 ( 0.528 0.100 -0.683) 0.869 3.344 ( -2.101 -0.303 -0.149) 2.128 3.596 ( -1.222 -5.509 -0.357) 5.654 3.710 ( 0.947 3.375 0.523) 3.544 3.826 ( 0.082 1.642 -1.497) 2.224 3.967 ( -2.863 0.667 -0.878) 3.068 4.115 ( -1.810 -0.851 -1.277) 2.373 4.370 ( 0.814 -0.064 1.091) 1.363 5.518 ( 4.708 0.555 -6.337) 7.913 5.907 ( -3.764 -0.126 4.326) 5.735 ======================= Grid point 73 (26/129) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -0.899 3.320 3.168) 4.676 0.773 ( -1.681 -2.308 4.179) 5.062 0.933 ( -1.608 2.440 -0.553) 2.974 1.125 ( 1.090 -0.192 -2.037) 2.319 1.272 ( -1.034 -0.454 -0.878) 1.430 1.275 ( 1.455 0.594 0.532) 1.659 1.345 ( 1.906 2.967 -0.017) 3.527 1.415 ( -1.925 -2.214 -1.846) 3.466 1.493 ( 0.562 -1.008 0.093) 1.158 1.660 ( 0.043 1.092 -0.819) 1.365 1.906 ( -0.468 -1.049 1.126) 1.608 2.042 ( 0.474 0.580 0.428) 0.862 2.211 ( 1.333 -0.539 -1.512) 2.087 2.331 ( -1.408 0.742 2.020) 2.572 2.676 ( 0.603 1.163 0.316) 1.348 2.755 ( 0.165 -0.612 -0.352) 0.725 2.885 ( -0.371 -0.875 0.076) 0.953 2.901 ( -1.574 -0.248 0.757) 1.764 2.972 ( 0.722 -0.657 -1.168) 1.522 3.154 ( -0.502 -0.240 -0.573) 0.799 3.234 ( 0.157 0.065 -0.986) 1.000 3.338 ( 0.502 -0.545 0.811) 1.099 3.634 ( -0.120 -5.023 -0.543) 5.054 3.678 ( 0.009 5.304 0.839) 5.370 3.821 ( 0.603 -0.023 -1.635) 1.743 3.916 ( -1.215 0.766 -1.326) 1.955 4.106 ( 0.964 0.876 -0.450) 1.378 4.382 ( -0.295 -0.607 1.076) 1.270 5.576 ( 6.672 0.469 -7.897) 10.349 5.853 ( -5.596 -0.170 5.503) 7.850 ======================= Grid point 74 (27/129) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -7.007 5.976 3.751) 9.944 0.677 ( -8.910 2.869 3.669) 10.054 0.986 ( 3.562 -3.124 -2.160) 5.207 1.112 ( -2.989 0.863 -0.982) 3.262 1.217 ( -4.063 0.713 -0.405) 4.145 1.231 ( -2.794 5.003 1.515) 5.927 1.359 ( 3.315 0.892 -0.199) 3.439 1.418 ( 2.406 -0.766 -2.342) 3.444 1.540 ( 3.528 0.699 -0.422) 3.621 1.670 ( 0.552 -2.527 -1.181) 2.844 1.900 ( -1.701 -0.039 1.630) 2.356 2.065 ( 1.716 -1.466 0.203) 2.266 2.234 ( 2.069 0.328 -0.921) 2.288 2.337 ( 0.763 -1.291 1.287) 1.977 2.675 ( 0.140 1.050 0.404) 1.134 2.750 ( -1.190 -0.530 -0.239) 1.324 2.871 ( -2.429 -0.229 0.559) 2.503 2.874 ( -1.801 -0.828 -0.125) 1.986 2.991 ( 2.021 0.268 -0.896) 2.227 3.139 ( -0.642 0.027 -1.117) 1.289 3.231 ( -0.620 0.227 -0.342) 0.744 3.372 ( 2.568 -0.547 0.703) 2.718 3.621 ( 0.689 6.187 0.556) 6.250 3.681 ( -0.956 -5.048 -0.521) 5.164 3.823 ( 0.967 0.215 -1.980) 2.213 3.917 ( 2.531 0.010 -2.056) 3.261 4.108 ( 1.640 3.928 -1.438) 4.493 4.385 ( -1.027 -1.356 1.663) 2.379 5.656 ( 7.532 0.195 -7.798) 10.843 5.776 ( -6.869 -0.057 6.035) 9.144 ======================= Grid point 75 (28/129) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( -7.441 5.916 6.140) 11.317 0.498 ( -11.104 3.626 3.898) 12.314 0.860 ( -15.165 8.273 2.083) 17.400 1.067 ( -0.010 0.085 -2.990) 2.991 1.153 ( -3.263 -0.527 0.502) 3.343 1.244 ( 5.009 -0.699 0.123) 5.059 1.422 ( 3.888 -1.029 -0.089) 4.023 1.477 ( 4.581 -0.877 -2.495) 5.290 1.575 ( 3.108 2.812 -0.987) 4.306 1.691 ( -0.616 -2.576 -1.122) 2.877 1.868 ( -2.747 0.586 2.195) 3.565 2.121 ( 2.661 -2.535 -0.601) 3.724 2.270 ( 3.184 0.550 -0.394) 3.256 2.377 ( 1.333 -2.077 0.345) 2.492 2.665 ( -0.504 0.996 0.478) 1.214 2.726 ( -1.883 -0.262 0.109) 1.905 2.826 ( -3.449 0.056 0.685) 3.517 2.852 ( -1.621 -1.055 -0.275) 1.954 3.029 ( 3.608 0.533 -1.180) 3.833 3.123 ( -1.172 -0.539 -0.722) 1.478 3.206 ( -1.217 0.376 -0.993) 1.615 3.428 ( 2.985 -0.177 0.515) 3.035 3.598 ( 1.776 3.912 0.160) 4.299 3.697 ( -1.013 -2.967 -0.361) 3.156 3.826 ( 0.895 0.442 -3.769) 3.899 3.962 ( 2.849 -0.008 -2.797) 3.993 4.069 ( 1.926 7.919 -3.001) 8.685 4.388 ( -1.397 -1.641 2.294) 3.148 5.684 ( -7.128 0.080 5.784) 9.180 5.747 ( 7.040 -0.078 -6.298) 9.446 ======================= Grid point 76 (29/129) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( -8.171 2.862 5.528) 10.272 0.306 ( -9.626 4.706 7.402) 13.023 0.507 ( -17.617 10.001 7.006) 21.435 1.043 ( -0.341 0.522 -2.496) 2.572 1.122 ( -1.653 -0.497 1.128) 2.062 1.338 ( 4.276 -1.401 -1.285) 4.680 1.497 ( 3.685 -1.122 0.494) 3.883 1.545 ( 3.240 -1.651 -2.250) 4.276 1.593 ( 2.634 3.008 -0.885) 4.095 1.676 ( -2.239 -0.859 -1.068) 2.625 1.825 ( -2.907 0.397 2.233) 3.687 2.178 ( 2.114 -1.858 -1.510) 3.194 2.323 ( 3.690 0.410 -0.688) 3.776 2.406 ( 0.044 -1.670 -0.016) 1.671 2.647 ( -0.776 0.894 0.341) 1.232 2.706 ( -0.607 0.010 1.045) 1.209 2.765 ( -3.663 0.534 0.358) 3.719 2.839 ( -1.004 -1.230 -0.715) 1.741 3.077 ( 1.460 -0.479 -2.903) 3.285 3.099 ( -2.469 -2.232 0.351) 3.347 3.189 ( 0.362 0.022 -2.614) 2.639 3.466 ( 1.809 1.423 0.079) 2.303 3.604 ( 1.770 1.868 -0.294) 2.590 3.704 ( 0.250 -0.564 0.343) 0.706 3.781 ( -1.776 6.228 -7.374) 9.814 3.914 ( -2.216 4.299 -2.349) 5.377 4.076 ( 4.779 2.785 -1.695) 5.786 4.389 ( -0.863 -1.093 2.663) 3.005 5.594 ( -6.333 0.051 4.779) 7.934 5.830 ( 5.627 -0.077 -4.024) 6.919 ======================= Grid point 78 (30/129) ======================= q-point: ( 0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 3.505 0.000 11.113) 11.653 0.486 ( 11.959 0.000 2.447) 12.207 0.750 ( 15.985 0.000 2.310) 16.151 1.105 ( 4.300 0.000 -1.081) 4.434 1.170 ( 2.693 0.000 0.697) 2.781 1.294 ( -7.702 -0.000 1.198) 7.795 1.396 ( -4.595 -0.000 -0.582) 4.632 1.510 ( -2.731 -0.000 -3.124) 4.150 1.529 ( -1.063 -0.000 -0.971) 1.439 1.746 ( 1.096 0.000 0.069) 1.099 1.850 ( 0.789 0.000 1.896) 2.053 2.131 ( -2.452 -0.000 -1.230) 2.743 2.223 ( -2.407 -0.000 -1.491) 2.831 2.450 ( -3.189 -0.000 1.991) 3.760 2.662 ( 1.260 0.000 0.873) 1.533 2.687 ( 3.003 0.000 -1.167) 3.222 2.821 ( 2.628 0.000 0.471) 2.670 2.875 ( 1.111 0.000 0.800) 1.369 2.975 ( -0.876 -0.000 -2.416) 2.570 3.107 ( 1.855 0.000 -1.321) 2.277 3.220 ( 1.486 0.000 -1.101) 1.850 3.389 ( -3.211 -0.000 -0.824) 3.315 3.550 ( -3.291 -0.000 0.406) 3.316 3.692 ( 1.154 0.000 -0.313) 1.196 3.957 ( 3.425 0.000 -0.199) 3.431 3.978 ( -3.060 -0.000 -1.473) 3.396 4.088 ( -0.160 -0.000 -3.949) 3.952 4.371 ( -1.291 -0.000 1.971) 2.356 5.492 ( 2.090 0.000 -3.278) 3.888 5.937 ( -1.823 -0.000 2.590) 3.167 ======================= Grid point 79 (31/129) ======================= q-point: ( 0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 5.206 -0.062 8.235) 9.743 0.675 ( 9.209 1.851 1.753) 9.555 0.973 ( 7.156 -5.631 -0.174) 9.107 1.144 ( -6.434 3.471 1.678) 7.501 1.193 ( 2.262 -1.150 -0.010) 2.538 1.249 ( 6.682 0.230 0.440) 6.701 1.308 ( -5.254 -1.303 -0.455) 5.433 1.447 ( -2.295 0.694 -2.928) 3.785 1.509 ( -1.836 -0.709 -0.924) 2.174 1.741 ( -0.443 1.955 -0.197) 2.014 1.867 ( -0.005 -1.081 1.114) 1.552 2.088 ( -1.592 1.139 -0.022) 1.958 2.194 ( -0.431 -0.281 -1.522) 1.606 2.397 ( -3.600 0.797 2.191) 4.289 2.684 ( 0.851 0.330 1.244) 1.543 2.729 ( 2.169 -0.168 -1.203) 2.487 2.861 ( 1.741 -0.045 0.166) 1.749 2.897 ( 0.827 -0.212 0.857) 1.210 2.952 ( -0.600 -0.687 -1.807) 2.024 3.135 ( 1.879 -0.264 -0.917) 2.107 3.242 ( 1.393 0.153 -0.251) 1.424 3.330 ( -3.451 -0.834 -0.985) 3.684 3.515 ( -2.329 -2.760 0.239) 3.619 3.717 ( 1.577 -0.459 -0.174) 1.651 3.913 ( -0.612 4.144 -0.480) 4.216 3.985 ( -0.484 2.660 -0.851) 2.834 4.071 ( -1.042 -4.106 -1.602) 4.529 4.369 ( -0.170 -0.008 1.253) 1.264 5.526 ( 4.625 0.242 -6.091) 7.652 5.905 ( -3.879 -0.023 4.331) 5.814 ======================= Grid point 80 (32/129) ======================= q-point: ( 0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 3.344 1.422 6.179) 7.168 0.757 ( 3.467 3.785 0.880) 5.208 0.997 ( -5.614 3.774 1.109) 6.855 1.099 ( 1.773 -3.646 -1.556) 4.343 1.219 ( -3.277 -3.905 0.256) 5.104 1.242 ( -0.321 -2.870 -0.041) 2.889 1.382 ( 4.525 0.791 0.466) 4.617 1.419 ( 3.137 1.783 -2.788) 4.560 1.472 ( -2.119 -0.708 -0.407) 2.271 1.704 ( -1.200 2.809 -0.224) 3.063 1.883 ( 0.173 -1.376 0.381) 1.438 2.059 ( -0.984 1.108 0.860) 1.714 2.200 ( 1.591 -0.540 -1.612) 2.328 2.344 ( -3.056 0.656 2.254) 3.854 2.694 ( 0.214 0.683 1.273) 1.460 2.748 ( 0.529 -0.171 -0.825) 0.995 2.876 ( 0.063 -0.122 -0.222) 0.261 2.902 ( -0.847 0.189 0.355) 0.938 2.959 ( 1.528 -0.702 -1.603) 2.323 3.159 ( 1.226 0.676 -0.566) 1.510 3.241 ( -0.340 0.769 -1.077) 1.367 3.311 ( -0.190 -2.353 0.373) 2.390 3.527 ( -0.733 -5.219 -0.062) 5.270 3.740 ( 1.149 1.368 0.157) 1.794 3.876 ( 0.206 2.829 -0.763) 2.938 3.934 ( -0.259 3.544 -1.186) 3.746 4.101 ( 1.734 -1.686 -0.251) 2.431 4.369 ( -0.948 -0.738 0.892) 1.496 5.584 ( 6.459 0.353 -7.799) 10.133 5.850 ( -5.553 -0.097 5.594) 7.883 ======================= Grid point 81 (33/129) ======================= q-point: (-0.50 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -4.186 8.418 4.265) 10.323 0.742 ( -3.879 3.921 2.284) 5.969 0.947 ( 1.958 -0.707 -0.221) 2.094 1.093 ( -3.191 -1.733 -1.062) 3.783 1.210 ( -1.355 -1.601 -1.479) 2.566 1.268 ( -0.982 -2.348 1.309) 2.862 1.411 ( 0.966 3.406 -3.326) 4.857 1.424 ( 2.351 1.561 0.797) 2.933 1.510 ( 3.781 -2.500 -0.154) 4.535 1.664 ( -0.605 1.531 -0.488) 1.717 1.893 ( -0.446 -0.561 0.621) 0.948 2.047 ( -0.425 -0.526 0.700) 0.973 2.235 ( 2.787 -0.290 -1.490) 3.173 2.314 ( -1.647 -1.036 1.991) 2.784 2.693 ( -0.107 0.901 1.160) 1.473 2.743 ( -0.818 -0.132 -0.413) 0.925 2.864 ( -1.403 -0.295 -0.603) 1.555 2.875 ( -1.790 0.504 -0.174) 1.868 2.993 ( 2.924 0.029 -1.494) 3.284 3.151 ( -0.091 1.402 -0.952) 1.697 3.235 ( -0.073 0.030 -0.685) 0.689 3.349 ( 2.000 -1.903 0.673) 2.841 3.569 ( -0.624 -6.251 -0.259) 6.288 3.712 ( -1.550 3.947 0.568) 4.278 3.874 ( 2.669 1.481 -2.641) 4.036 3.923 ( 3.015 3.354 -0.558) 4.544 4.152 ( 3.869 0.876 -0.327) 3.981 4.358 ( -1.812 -1.423 0.763) 2.427 5.660 ( 7.300 0.237 -7.887) 10.749 5.775 ( -6.745 -0.021 6.176) 9.146 ======================= Grid point 82 (34/129) ======================= q-point: (-0.38 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -5.959 9.116 4.937) 11.958 0.601 ( -7.202 7.615 2.617) 10.803 0.963 ( -4.571 2.592 -0.044) 5.254 1.052 ( -0.767 -2.221 -2.040) 3.111 1.178 ( -2.412 2.352 -0.664) 3.434 1.245 ( -0.609 1.831 2.584) 3.225 1.398 ( 2.712 -0.845 -2.437) 3.742 1.476 ( 3.787 0.461 -0.478) 3.845 1.597 ( 3.663 -2.106 -0.854) 4.311 1.653 ( 0.033 -0.130 -0.992) 1.001 1.878 ( -1.952 0.590 1.583) 2.582 2.067 ( 0.826 -3.175 -0.372) 3.302 2.278 ( 3.055 0.282 -0.636) 3.133 2.327 ( -0.336 -3.295 0.837) 3.416 2.686 ( -0.080 1.303 0.908) 1.591 2.722 ( -1.520 -0.018 0.126) 1.525 2.831 ( -2.359 0.338 -0.272) 2.398 2.841 ( -1.491 0.021 -0.626) 1.617 3.038 ( 3.635 0.468 -1.827) 4.095 3.134 ( -0.226 1.457 -0.850) 1.702 3.216 ( -1.460 0.600 -0.575) 1.680 3.408 ( 2.626 -1.689 0.592) 3.178 3.604 ( -1.610 -6.002 -0.464) 6.231 3.657 ( -0.948 3.023 0.351) 3.187 3.897 ( 4.885 4.247 -3.908) 7.561 3.960 ( 3.214 0.793 -0.689) 3.381 4.194 ( 5.136 5.589 -2.960) 8.148 4.348 ( -1.971 -2.563 1.544) 3.583 5.686 ( -7.067 0.168 5.854) 9.178 5.746 ( 6.964 -0.030 -6.434) 9.481 ======================= Grid point 83 (35/129) ======================= q-point: (-0.25 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( -4.093 8.964 4.657) 10.899 0.423 ( -6.381 8.969 5.214) 12.179 0.748 ( -10.093 14.737 2.567) 18.045 1.055 ( 0.138 0.048 -2.499) 2.503 1.115 ( -1.791 0.647 0.754) 2.048 1.292 ( 2.595 -3.377 0.284) 4.268 1.463 ( 3.621 -2.464 -1.209) 4.544 1.524 ( 1.762 -0.791 -0.569) 2.013 1.643 ( 2.697 2.121 -1.353) 3.689 1.652 ( -0.612 -1.549 -0.979) 1.932 1.840 ( -2.518 1.153 2.194) 3.533 2.119 ( 1.494 -4.535 -1.509) 5.007 2.329 ( 3.446 0.079 -0.978) 3.583 2.351 ( -1.183 -4.207 0.697) 4.425 2.671 ( -0.611 1.587 0.188) 1.711 2.708 ( -0.130 0.308 1.384) 1.424 2.782 ( -2.478 1.322 0.071) 2.809 2.822 ( -0.507 -0.378 -0.876) 1.080 3.072 ( -0.053 0.567 -2.570) 2.633 3.103 ( -0.099 2.003 1.199) 2.337 3.190 ( -0.068 0.073 -2.166) 2.168 3.461 ( 1.554 -1.401 0.400) 2.130 3.618 ( -1.189 -3.052 -0.542) 3.320 3.639 ( -0.291 -0.935 0.238) 1.008 3.931 ( 7.470 6.012 -5.607) 11.108 3.975 ( -0.074 1.808 -2.512) 3.096 4.200 ( 6.116 9.377 -6.318) 12.854 4.353 ( -1.218 -2.839 2.295) 3.849 5.597 ( -6.285 0.216 4.703) 7.853 5.828 ( 5.645 -0.143 -4.139) 7.002 ======================= Grid point 84 (36/129) ======================= q-point: (-0.12 0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( 0.490 9.977 2.520) 10.302 0.336 ( 2.412 8.834 8.751) 12.666 0.482 ( -4.205 17.788 6.805) 19.504 1.047 ( 1.155 1.022 -1.876) 2.428 1.110 ( 0.084 -0.553 1.313) 1.427 1.355 ( 0.972 -3.651 -0.739) 3.850 1.528 ( 0.174 -1.307 -0.014) 1.318 1.532 ( -0.838 -2.829 -1.420) 3.274 1.633 ( -0.695 2.297 -2.029) 3.142 1.662 ( 1.970 0.281 -0.282) 2.010 1.808 ( -0.637 1.528 2.580) 3.065 2.165 ( 0.244 -3.679 -2.071) 4.229 2.332 ( -2.163 -1.318 -1.945) 3.194 2.405 ( 2.389 -2.671 1.193) 3.776 2.650 ( -0.049 1.477 0.075) 1.480 2.699 ( -2.468 0.618 1.368) 2.889 2.755 ( 1.776 1.874 0.405) 2.613 2.828 ( 1.783 0.061 -1.176) 2.137 2.999 ( -3.503 3.006 1.105) 4.746 3.110 ( 0.441 0.545 -1.651) 1.794 3.191 ( 1.208 -0.159 -2.426) 2.715 3.476 ( -0.977 -0.406 -0.485) 1.164 3.621 ( 0.353 0.454 -0.048) 0.577 3.667 ( 0.413 -4.818 0.349) 4.849 3.896 ( -1.116 6.945 -6.678) 9.699 3.992 ( 10.500 7.536 -6.699) 14.557 4.155 ( 1.047 8.202 -5.909) 10.163 4.386 ( 0.707 -2.692 1.265) 3.057 5.525 ( -4.041 0.109 2.578) 4.795 5.895 ( 3.750 -0.286 -1.474) 4.039 ======================= Grid point 87 (37/129) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 3.871 0.000 6.007) 7.147 0.843 ( 6.774 0.000 0.655) 6.806 1.023 ( 3.520 0.000 -0.449) 3.548 1.037 ( -6.899 -0.000 1.908) 7.158 1.194 ( -6.290 -0.000 -0.474) 6.308 1.206 ( -0.323 -0.000 -0.133) 0.349 1.388 ( 4.292 0.000 -0.065) 4.293 1.436 ( 5.138 0.000 -2.450) 5.692 1.468 ( -2.826 -0.000 -0.215) 2.835 1.732 ( -1.544 -0.000 -0.167) 1.553 1.868 ( 0.647 0.000 0.011) 0.647 2.070 ( -1.544 -0.000 1.038) 1.860 2.195 ( 1.562 0.000 -1.653) 2.275 2.351 ( -3.628 -0.000 2.334) 4.314 2.699 ( -0.013 -0.000 1.917) 1.917 2.747 ( 0.718 0.000 -1.119) 1.329 2.877 ( 0.102 0.000 -0.421) 0.433 2.904 ( -0.495 -0.000 0.184) 0.528 2.951 ( 2.000 0.000 -1.820) 2.704 3.168 ( 2.536 0.000 -0.701) 2.631 3.261 ( -3.321 -0.000 -1.260) 3.552 3.272 ( 1.925 0.000 0.375) 1.961 3.478 ( -0.852 -0.000 0.359) 0.924 3.752 ( 2.914 0.000 -0.311) 2.931 3.885 ( -3.722 -0.000 -0.298) 3.734 4.019 ( 2.328 0.000 -1.635) 2.845 4.052 ( 1.952 0.000 0.233) 1.965 4.362 ( -1.187 -0.000 0.921) 1.502 5.587 ( 6.370 0.000 -7.760) 10.040 5.849 ( -5.540 -0.000 5.631) 7.900 ======================= Grid point 88 (38/129) ======================= q-point: (-0.62 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -0.373 1.274 3.849) 4.071 0.831 ( -3.443 5.026 0.986) 6.172 0.974 ( -0.409 3.519 1.291) 3.771 1.073 ( -2.014 -0.361 -0.541) 2.116 1.141 ( 0.406 -5.847 -0.060) 5.862 1.214 ( 1.197 -2.171 -0.984) 2.668 1.424 ( -1.881 -0.961 0.225) 2.124 1.430 ( 3.060 0.292 -1.937) 3.634 1.525 ( 4.637 1.816 -0.604) 5.016 1.693 ( -2.202 1.188 0.000) 2.502 1.884 ( 0.882 -0.334 -0.209) 0.966 2.045 ( -2.028 0.094 1.155) 2.335 2.227 ( 2.905 -0.406 -1.786) 3.434 2.303 ( -3.304 -0.274 2.337) 4.057 2.704 ( -0.185 0.355 1.919) 1.960 2.744 ( -0.503 0.074 -0.645) 0.821 2.863 ( -1.226 0.028 -0.933) 1.541 2.883 ( -1.597 0.257 -0.630) 1.736 2.993 ( 3.692 0.016 -1.926) 4.164 3.186 ( 0.246 2.361 -0.779) 2.498 3.224 ( -0.409 -1.482 -0.880) 1.771 3.319 ( 2.740 -1.078 0.370) 2.968 3.485 ( -0.213 -2.727 0.368) 2.760 3.777 ( -0.444 3.689 -0.165) 3.719 3.841 ( 0.118 -3.284 -1.136) 3.477 4.033 ( 3.622 6.553 -0.393) 7.498 4.129 ( 4.513 -3.589 -0.246) 5.772 4.342 ( -1.531 -0.354 0.287) 1.597 5.663 ( 7.145 0.108 -7.959) 10.696 5.775 ( -6.641 0.002 6.270) 9.133 ======================= Grid point 89 (39/129) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -5.983 7.265 3.892) 10.184 0.730 ( -4.855 5.301 0.326) 7.195 0.972 ( 0.856 -1.799 -0.491) 2.052 1.028 ( -1.338 2.027 0.229) 2.440 1.186 ( 0.046 -1.136 -0.297) 1.175 1.265 ( 2.311 -0.796 0.528) 2.501 1.416 ( -0.528 0.617 -2.119) 2.269 1.480 ( 3.465 -0.412 -0.228) 3.497 1.550 ( 1.637 0.158 -0.316) 1.675 1.662 ( -0.410 -0.002 -0.511) 0.655 1.889 ( -0.626 0.567 0.712) 1.105 2.022 ( -1.412 -1.645 0.062) 2.168 2.271 ( -0.481 -2.478 -0.074) 2.525 2.280 ( 1.260 -0.231 0.468) 1.363 2.706 ( 0.147 0.881 1.609) 1.840 2.726 ( -1.167 0.286 -0.096) 1.205 2.835 ( -1.345 0.150 -1.139) 1.769 2.848 ( -1.720 0.382 -0.804) 1.937 3.046 ( 3.814 0.362 -2.379) 4.510 3.163 ( 0.317 1.623 -1.318) 2.114 3.224 ( -0.738 0.254 -0.092) 0.786 3.380 ( 2.924 -1.278 0.365) 3.211 3.511 ( -0.827 -4.211 0.242) 4.298 3.713 ( -2.082 3.197 0.156) 3.818 3.900 ( 3.656 -2.059 -2.562) 4.916 4.032 ( 2.908 5.332 0.073) 6.074 4.233 ( 4.545 -1.755 -0.577) 4.906 4.326 ( 0.458 0.807 -1.162) 1.487 5.689 ( -6.965 0.140 5.948) 9.160 5.746 ( 6.888 0.031 -6.639) 9.567 ======================= Grid point 90 (40/129) ======================= q-point: (-0.38 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -4.760 7.847 4.036) 10.026 0.587 ( -4.475 8.220 1.360) 9.457 0.970 ( -0.519 9.518 0.430) 9.542 1.013 ( 0.453 -4.654 -1.539) 4.923 1.165 ( -1.781 3.812 -0.031) 4.208 1.261 ( -0.941 1.596 1.947) 2.687 1.419 ( 2.847 -2.168 -2.385) 4.300 1.518 ( 0.784 0.114 0.140) 0.805 1.608 ( 2.147 -3.282 -0.531) 3.958 1.665 ( 0.940 -0.284 -1.192) 1.544 1.862 ( -1.802 1.370 1.681) 2.819 2.036 ( 0.242 -4.305 -1.403) 4.534 2.274 ( -2.187 -4.250 1.436) 4.991 2.326 ( 2.817 -0.424 -1.268) 3.118 2.696 ( -0.805 1.171 0.074) 1.423 2.717 ( 0.189 0.574 1.744) 1.846 2.806 ( -1.061 1.182 -0.359) 1.629 2.821 ( -0.355 0.074 -1.179) 1.233 3.082 ( 2.104 0.454 -3.407) 4.029 3.153 ( 0.786 2.631 -0.075) 2.747 3.195 ( -1.237 1.014 -0.555) 1.693 3.433 ( 1.685 -1.478 0.380) 2.274 3.533 ( -1.075 -4.622 0.040) 4.745 3.667 ( -0.611 2.409 0.203) 2.494 3.960 ( 3.721 -0.856 -4.233) 5.700 4.034 ( 2.204 4.008 0.254) 4.581 4.280 ( -0.985 -2.993 1.214) 3.376 4.344 ( 5.752 4.503 -5.819) 9.339 5.601 ( -6.215 0.271 4.592) 7.732 5.826 ( 5.657 -0.085 -4.326) 7.122 ======================= Grid point 91 (41/129) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( -1.798 7.564 3.552) 8.548 0.495 ( 2.207 8.995 4.041) 10.105 0.821 ( -1.605 18.312 1.637) 18.455 1.057 ( 2.001 -1.209 -1.447) 2.750 1.110 ( -0.347 1.605 0.622) 1.756 1.273 ( -0.809 -4.283 0.464) 4.383 1.478 ( 0.946 -3.010 -1.346) 3.430 1.514 ( -0.733 -0.295 -0.155) 0.806 1.642 ( 0.681 -0.880 -0.445) 1.198 1.676 ( 0.306 0.331 -1.355) 1.428 1.836 ( -0.391 1.567 2.083) 2.636 2.081 ( 0.336 -5.412 -2.159) 5.836 2.281 ( -2.000 -4.128 -0.001) 4.587 2.366 ( 1.536 -1.531 -0.187) 2.177 2.677 ( 0.113 1.476 0.091) 1.483 2.711 ( -1.702 0.625 1.450) 2.322 2.789 ( 0.947 1.819 0.509) 2.113 2.830 ( 2.182 0.136 -0.852) 2.347 3.061 ( -0.834 2.824 -2.214) 3.684 3.137 ( 0.383 3.125 0.457) 3.181 3.186 ( 0.989 -0.397 -2.086) 2.343 3.457 ( -0.633 -1.394 0.009) 1.531 3.568 ( 0.464 -5.129 0.190) 5.153 3.647 ( 0.015 1.719 0.166) 1.727 3.972 ( -0.053 2.307 -3.995) 4.613 4.050 ( 3.543 1.727 -1.751) 4.313 4.282 ( -0.409 0.952 -1.266) 1.636 4.353 ( 1.952 1.851 -6.387) 6.930 5.527 ( -4.163 0.183 2.315) 4.766 5.891 ( 3.627 -0.142 -1.674) 3.997 ======================= Grid point 92 (42/129) ======================= q-point: (-0.12 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 2.205 6.594 4.625) 8.350 0.527 ( 4.696 7.720 7.701) 11.873 0.710 ( 8.943 15.326 0.738) 17.760 1.081 ( 2.389 1.692 -1.369) 3.232 1.127 ( 1.666 -0.165 1.110) 2.009 1.292 ( -3.247 -6.253 0.235) 7.049 1.458 ( -3.412 -0.824 -0.523) 3.549 1.514 ( -1.009 -1.223 -1.289) 2.043 1.632 ( -1.162 2.841 -2.097) 3.717 1.679 ( 0.683 -2.334 0.198) 2.440 1.844 ( 1.402 1.321 2.173) 2.904 2.108 ( -1.278 -4.473 -1.963) 5.049 2.268 ( -2.330 -1.483 -1.569) 3.177 2.407 ( 0.348 -3.527 1.246) 3.756 2.673 ( -1.398 1.331 0.733) 2.065 2.677 ( 1.064 1.248 -0.130) 1.645 2.803 ( 1.957 1.327 0.383) 2.395 2.864 ( 1.675 0.676 0.476) 1.868 3.022 ( 0.501 2.688 -2.053) 3.419 3.116 ( 0.443 2.392 -0.262) 2.447 3.202 ( 1.476 -0.154 -1.644) 2.215 3.439 ( -2.426 -0.814 -0.376) 2.586 3.631 ( -0.454 1.640 0.028) 1.702 3.644 ( 2.322 -5.801 0.361) 6.259 3.896 ( -2.024 5.238 -3.723) 6.737 4.069 ( -0.731 -0.385 -2.045) 2.206 4.220 ( 0.959 7.687 -7.706) 10.927 4.343 ( -2.392 -3.775 1.861) 4.841 5.487 ( -1.111 -0.144 -0.524) 1.237 5.931 ( 1.103 -0.279 0.699) 1.335 ======================= Grid point 96 (43/129) ======================= q-point: (-0.62 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -1.803 -0.000 1.096) 2.110 0.748 ( -7.421 -0.000 1.899) 7.660 0.946 ( -4.708 -0.000 -0.111) 4.709 1.101 ( 0.753 0.000 -0.396) 0.851 1.137 ( 4.572 0.000 1.641) 4.858 1.256 ( 4.900 0.000 -1.709) 5.189 1.395 ( -0.203 -0.000 0.144) 0.249 1.478 ( 2.918 0.000 -1.377) 3.227 1.582 ( 1.502 0.000 -1.121) 1.874 1.653 ( -3.073 -0.000 0.354) 3.093 1.895 ( 0.100 0.000 0.320) 0.335 2.009 ( -2.390 -0.000 0.349) 2.415 2.246 ( -2.101 -0.000 0.827) 2.258 2.279 ( 1.985 0.000 -0.374) 2.020 2.715 ( 0.179 0.000 1.911) 1.919 2.729 ( -1.046 -0.000 -0.213) 1.067 2.836 ( -1.113 -0.000 -1.341) 1.743 2.851 ( -1.753 -0.000 -0.948) 1.993 3.049 ( 3.906 0.000 -2.610) 4.698 3.180 ( -0.746 -0.000 -1.445) 1.626 3.225 ( 0.912 0.000 0.006) 0.912 3.369 ( 3.290 0.000 0.113) 3.292 3.470 ( -0.631 -0.000 0.702) 0.944 3.750 ( -2.971 -0.000 -0.141) 2.974 3.872 ( 4.441 0.000 -1.620) 4.727 4.095 ( 0.487 0.000 1.050) 1.157 4.194 ( 3.974 0.000 -0.801) 4.053 4.340 ( 2.827 0.000 -1.875) 3.392 5.691 ( -6.906 -0.000 5.989) 9.141 5.747 ( 6.845 0.000 -6.733) 9.601 ======================= Grid point 98 (44/129) ======================= q-point: (-0.50 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -5.500 4.297 1.751) 7.196 0.695 ( -2.481 4.184 0.700) 4.914 0.907 ( -1.908 -5.511 -0.147) 5.834 1.086 ( 0.484 3.300 -0.174) 3.340 1.216 ( 3.813 2.127 0.272) 4.374 1.322 ( 2.920 2.279 0.392) 3.724 1.406 ( 0.400 0.670 -1.888) 2.043 1.519 ( 1.965 -1.066 0.013) 2.236 1.562 ( -0.075 0.564 -0.640) 0.856 1.629 ( -1.857 -3.509 -0.396) 3.990 1.883 ( -1.390 0.772 1.311) 2.061 1.985 ( -0.795 -1.412 -1.084) 1.949 2.216 ( -2.623 -1.947 1.663) 3.665 2.318 ( 2.446 -0.283 -1.338) 2.803 2.710 ( -0.779 0.438 0.071) 0.896 2.725 ( 0.050 0.276 1.811) 1.832 2.819 ( -0.030 0.252 -1.123) 1.151 2.823 ( -0.813 0.207 -0.736) 1.116 3.088 ( 2.325 0.181 -3.694) 4.369 3.170 ( 0.421 0.037 -1.469) 1.529 3.231 ( 0.432 1.830 0.603) 1.974 3.416 ( 1.894 -0.402 0.158) 1.943 3.469 ( -1.005 -2.276 0.586) 2.556 3.708 ( -1.042 1.700 0.164) 2.000 3.940 ( 4.047 -0.984 -2.597) 4.908 4.091 ( -0.013 2.139 1.252) 2.479 4.223 ( -0.804 -2.447 0.763) 2.687 4.401 ( 5.608 1.592 -5.431) 7.968 5.605 ( -6.181 0.121 4.526) 7.662 5.825 ( 5.664 -0.019 -4.459) 7.208 ======================= Grid point 99 (45/129) ======================= q-point: (-0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -1.387 6.173 1.579) 6.521 0.632 ( 1.334 6.709 2.065) 7.145 0.961 ( 0.915 -6.913 -0.882) 7.029 1.059 ( 0.404 4.991 0.332) 5.018 1.219 ( 0.578 10.987 0.147) 11.003 1.247 ( -3.275 1.581 0.188) 3.642 1.434 ( 2.195 -1.730 -1.113) 3.008 1.517 ( -0.751 0.612 0.055) 0.970 1.610 ( -0.058 -2.574 0.578) 2.639 1.643 ( 0.636 -4.662 -1.950) 5.093 1.861 ( -0.557 1.193 1.650) 2.111 1.997 ( 0.351 -3.412 -1.840) 3.892 2.211 ( -1.434 -3.257 1.127) 3.733 2.345 ( 0.837 -0.850 -1.075) 1.606 2.699 ( 0.086 0.907 0.201) 0.933 2.720 ( -1.330 0.381 1.361) 1.941 2.815 ( 0.713 1.078 -0.038) 1.293 2.831 ( 2.039 -0.055 -0.347) 2.069 3.086 ( 0.132 0.583 -4.114) 4.157 3.178 ( 0.936 -0.465 -1.488) 1.818 3.214 ( 0.530 4.441 1.187) 4.628 3.436 ( -0.415 -0.896 0.027) 0.987 3.487 ( -0.153 -3.885 0.336) 3.903 3.685 ( 0.184 2.361 0.339) 2.393 3.988 ( 2.456 -0.002 -3.289) 4.105 4.076 ( -0.698 0.952 0.946) 1.512 4.238 ( -0.548 -2.859 1.773) 3.408 4.412 ( 1.102 2.605 -7.878) 8.371 5.530 ( -4.321 0.139 2.059) 4.788 5.890 ( 3.712 -0.024 -1.811) 4.130 ======================= Grid point 100 (46/129) ======================= q-point: (-0.25 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 1.808 7.419 2.264) 7.965 0.657 ( 6.210 6.364 3.645) 9.610 0.945 ( -0.276 9.760 -0.181) 9.765 1.077 ( 2.302 -5.000 0.335) 5.514 1.145 ( 1.188 3.891 -0.172) 4.072 1.212 ( -2.798 -0.304 -0.236) 2.824 1.450 ( -0.790 0.299 -0.103) 0.851 1.502 ( -0.771 -0.202 -1.007) 1.285 1.619 ( -1.870 -4.443 0.247) 4.826 1.663 ( -0.051 0.284 -1.924) 1.946 1.865 ( 1.072 1.047 1.909) 2.427 2.027 ( -0.077 -4.114 -1.795) 4.489 2.229 ( -0.438 -2.744 -0.385) 2.806 2.356 ( -0.477 -2.101 0.101) 2.157 2.690 ( -1.797 0.796 0.789) 2.118 2.701 ( 0.983 1.108 0.157) 1.489 2.826 ( 1.797 1.283 0.194) 2.217 2.872 ( 2.236 0.094 0.789) 2.373 3.054 ( -0.840 1.021 -3.403) 3.651 3.177 ( 0.187 2.838 -0.254) 2.856 3.204 ( 1.851 1.488 -0.131) 2.378 3.419 ( -2.386 -1.163 -0.072) 2.655 3.539 ( 1.318 -5.482 0.192) 5.641 3.672 ( 0.574 2.780 0.367) 2.862 3.977 ( -0.525 3.403 -3.010) 4.573 4.056 ( -2.358 -1.129 -0.025) 2.615 4.274 ( -0.306 -3.491 1.771) 3.926 4.323 ( -2.798 3.946 -7.339) 8.790 5.485 ( -1.387 -0.122 -0.937) 1.679 5.928 ( 1.236 0.014 0.652) 1.397 ======================= Grid point 101 (47/129) ======================= q-point: (-0.12 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 4.326 5.489 3.783) 7.947 0.688 ( 2.529 8.350 5.207) 10.160 0.952 ( 8.498 2.762 -0.232) 8.939 1.131 ( -1.721 2.381 -0.401) 2.965 1.160 ( 1.565 -4.860 0.507) 5.130 1.179 ( 0.729 -0.730 -0.704) 1.249 1.414 ( -2.202 2.008 0.028) 2.980 1.474 ( -1.897 0.104 -1.437) 2.382 1.603 ( -3.780 -0.782 -1.120) 4.019 1.658 ( 0.582 -2.045 -0.853) 2.291 1.885 ( 1.003 0.993 1.951) 2.408 2.046 ( -0.673 -3.249 -1.199) 3.528 2.225 ( -1.068 -0.347 -1.496) 1.870 2.372 ( -1.312 -3.343 1.420) 3.862 2.664 ( -0.586 0.303 0.352) 0.748 2.716 ( 1.821 1.042 -0.160) 2.104 2.849 ( 2.026 1.212 0.267) 2.376 2.898 ( 0.924 0.992 1.355) 1.917 3.011 ( -1.544 1.100 -2.491) 3.131 3.156 ( 0.495 2.683 -0.034) 2.729 3.226 ( 1.666 0.436 -0.643) 1.838 3.383 ( -2.919 -1.048 -0.201) 3.108 3.621 ( 1.507 -5.446 0.067) 5.651 3.656 ( 0.591 2.190 0.376) 2.299 3.889 ( -2.808 5.583 -2.665) 6.794 4.015 ( -3.388 -1.206 -0.801) 3.684 4.188 ( -4.971 0.872 -3.150) 5.949 4.335 ( 2.283 -0.724 1.039) 2.611 5.481 ( 1.935 -0.466 -3.908) 4.386 5.935 ( -1.392 0.054 2.687) 3.026 ======================= Grid point 106 (48/129) ======================= q-point: ( 0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.957 0.000 0.737) 1.208 0.722 ( 1.296 0.000 0.822) 1.534 0.857 ( 0.229 -0.000 0.532) 0.579 1.095 ( -0.006 0.000 -0.028) 0.029 1.258 ( -1.544 0.000 -1.070) 1.878 1.382 ( 1.089 -0.000 0.590) 1.239 1.427 ( 0.215 0.000 -0.864) 0.890 1.529 ( -1.688 0.000 0.319) 1.717 1.551 ( 2.621 0.000 -2.527) 3.641 1.575 ( -0.744 0.000 0.808) 1.099 1.873 ( -0.720 0.000 1.492) 1.656 1.969 ( 0.296 0.000 -1.511) 1.540 2.181 ( -1.169 0.000 1.342) 1.780 2.337 ( 0.699 0.000 -1.255) 1.436 2.707 ( 0.068 0.000 0.224) 0.234 2.723 ( -1.250 -0.000 1.307) 1.809 2.827 ( 1.391 -0.000 -0.763) 1.587 2.828 ( 1.263 0.000 0.302) 1.299 3.091 ( 0.290 0.000 -4.369) 4.379 3.173 ( 0.768 0.000 -1.198) 1.423 3.260 ( 1.095 0.000 0.879) 1.404 3.428 ( -0.403 0.000 -0.029) 0.404 3.447 ( -0.559 0.000 0.527) 0.768 3.711 ( 0.267 0.000 0.369) 0.456 3.986 ( 3.307 0.000 -2.726) 4.286 4.082 ( -2.756 0.000 2.108) 3.469 4.212 ( 0.340 -0.000 0.846) 0.912 4.434 ( 0.654 0.000 -7.059) 7.090 5.532 ( -4.389 0.000 1.955) 4.805 5.890 ( 3.764 0.000 -1.851) 4.195 ======================= Grid point 108 (49/129) ======================= q-point: (-0.38 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 3.279 4.626 0.610) 5.703 0.742 ( 4.113 3.408 1.643) 5.588 0.927 ( 3.228 -6.337 0.007) 7.112 1.085 ( -1.234 3.327 0.256) 3.558 1.176 ( -5.316 -0.231 -1.073) 5.429 1.303 ( -2.694 8.095 0.306) 8.537 1.441 ( -1.062 -4.018 0.204) 4.161 1.503 ( -1.270 -0.090 -0.837) 1.523 1.565 ( 0.441 1.353 -0.436) 1.489 1.632 ( 2.267 -3.758 -1.440) 4.619 1.879 ( 0.848 0.485 1.626) 1.897 1.978 ( 0.865 -1.341 -1.406) 2.127 2.188 ( 0.599 -1.400 0.520) 1.610 2.333 ( -0.880 -0.633 -0.676) 1.278 2.700 ( -1.819 0.334 0.796) 2.013 2.714 ( 0.848 0.368 0.205) 0.947 2.848 ( 1.972 1.161 0.199) 2.297 2.866 ( 2.211 -0.739 0.684) 2.429 3.065 ( -0.831 0.276 -3.877) 3.975 3.185 ( 1.063 -0.185 -0.975) 1.454 3.264 ( 0.417 2.853 0.996) 3.051 3.404 ( -2.507 -0.474 -0.084) 2.553 3.461 ( 0.508 -2.916 0.246) 2.970 3.718 ( 1.273 1.877 0.504) 2.323 4.013 ( 1.240 0.678 -2.915) 3.240 4.035 ( -4.072 -0.765 2.235) 4.708 4.228 ( -0.274 -1.388 0.537) 1.513 4.369 ( -3.135 1.264 -6.319) 7.167 5.483 ( -1.571 -0.044 -1.214) 1.986 5.929 ( 1.343 0.048 0.610) 1.476 ======================= Grid point 109 (50/129) ======================= q-point: (-0.25 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 3.469 7.326 1.307) 8.210 0.814 ( 4.597 3.404 2.907) 6.416 0.975 ( -4.647 2.196 0.009) 5.140 1.039 ( 3.534 -5.090 -0.053) 6.197 1.162 ( 0.258 -2.660 -0.731) 2.771 1.205 ( -1.710 4.321 -0.590) 4.684 1.439 ( -2.900 -1.952 0.300) 3.509 1.485 ( -0.464 -0.784 -0.951) 1.317 1.551 ( -0.688 1.293 -0.748) 1.645 1.660 ( 0.287 -0.215 -1.521) 1.562 1.899 ( 0.939 0.616 1.668) 2.011 2.002 ( 0.877 -1.623 -0.900) 2.052 2.213 ( 0.662 -0.860 -0.852) 1.380 2.324 ( -1.197 -1.894 0.688) 2.344 2.671 ( -1.419 0.396 0.422) 1.532 2.730 ( 1.419 0.520 0.012) 1.511 2.872 ( 1.990 1.338 0.437) 2.437 2.906 ( 1.320 -0.167 1.148) 1.757 3.027 ( -1.380 0.640 -2.778) 3.168 3.195 ( 0.689 1.245 -0.531) 1.518 3.245 ( 0.150 1.994 0.322) 2.025 3.362 ( -3.112 -1.152 0.154) 3.322 3.512 ( 1.055 -5.335 0.225) 5.443 3.720 ( 1.463 3.762 0.414) 4.057 3.976 ( -4.590 -2.893 0.480) 5.447 3.987 ( -1.413 4.873 -2.090) 5.488 4.180 ( -5.654 -1.470 -3.091) 6.610 4.333 ( 1.816 0.267 -0.248) 1.852 5.474 ( 1.821 -0.300 -4.298) 4.677 5.937 ( -1.266 0.144 2.664) 2.953 ======================= Grid point 110 (51/129) ======================= q-point: (-0.12 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 1.931 4.201 2.457) 5.236 0.802 ( 0.536 7.280 3.499) 8.095 0.953 ( -4.040 -6.248 0.682) 7.472 1.102 ( 2.176 0.069 -1.559) 2.678 1.196 ( 4.273 -2.721 -1.548) 5.297 1.219 ( 2.428 -2.053 0.461) 3.212 1.388 ( -3.215 1.312 -0.707) 3.543 1.481 ( 0.493 3.467 -0.334) 3.518 1.506 ( -4.064 -2.382 -0.694) 4.762 1.655 ( 0.460 0.332 -1.188) 1.317 1.910 ( 0.208 0.721 1.581) 1.750 2.024 ( 0.639 -1.129 -0.311) 1.334 2.212 ( 0.145 0.525 -1.546) 1.639 2.331 ( -1.208 -2.205 1.750) 3.063 2.660 ( 0.034 -0.483 0.144) 0.505 2.749 ( 1.299 0.541 -0.218) 1.423 2.889 ( 1.062 1.267 0.352) 1.690 2.918 ( -0.306 0.677 1.358) 1.548 2.988 ( -0.981 0.895 -1.729) 2.180 3.176 ( -0.502 2.123 -0.091) 2.183 3.240 ( 0.017 0.168 -0.945) 0.960 3.335 ( -1.335 -1.207 0.622) 1.904 3.588 ( 1.109 -7.129 0.340) 7.223 3.698 ( 0.238 4.759 0.082) 4.765 3.882 ( -2.798 5.892 -2.175) 6.876 3.939 ( -3.072 -2.813 -0.423) 4.187 4.112 ( -2.226 -0.994 -1.538) 2.882 4.368 ( 1.454 -0.272 1.008) 1.790 5.508 ( 4.804 -0.516 -6.655) 8.224 5.910 ( -3.686 0.204 4.287) 5.658 ======================= Grid point 116 (52/129) ======================= q-point: ( 0.62 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 5.519 0.000 -0.068) 5.519 0.792 ( -0.489 -0.000 1.915) 1.976 0.989 ( 6.821 0.000 0.499) 6.839 1.058 ( -4.843 -0.000 -2.274) 5.351 1.099 ( -1.460 -0.000 0.677) 1.610 1.268 ( -6.515 -0.000 1.436) 6.671 1.370 ( -0.646 -0.000 -0.688) 0.943 1.478 ( -1.711 -0.000 -1.017) 1.990 1.615 ( -0.069 -0.000 -1.755) 1.757 1.632 ( 2.774 0.000 -0.652) 2.849 1.905 ( 0.851 0.000 1.465) 1.694 1.989 ( 1.537 0.000 -0.669) 1.676 2.204 ( 1.557 0.000 -0.362) 1.598 2.308 ( -1.389 -0.000 0.256) 1.412 2.675 ( -1.667 -0.000 0.396) 1.714 2.734 ( 1.271 0.000 0.068) 1.273 2.893 ( 1.986 0.000 0.711) 2.110 2.895 ( 1.563 0.000 0.814) 1.762 3.033 ( -1.252 -0.000 -2.919) 3.176 3.203 ( 1.768 0.000 -0.599) 1.867 3.272 ( -1.485 -0.000 0.603) 1.603 3.351 ( -3.389 -0.000 0.213) 3.396 3.458 ( 0.671 0.000 0.223) 0.707 3.762 ( 2.532 0.000 0.279) 2.548 3.941 ( -5.983 -0.000 1.320) 6.127 4.038 ( 0.917 0.000 -1.387) 1.663 4.158 ( -6.336 -0.000 -3.457) 7.218 4.336 ( 0.897 0.000 -0.796) 1.199 5.471 ( 1.773 0.000 -4.447) 4.787 5.938 ( -1.229 -0.000 2.647) 2.919 ======================= Grid point 118 (53/129) ======================= q-point: (-0.25 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -2.491 5.983 1.422) 6.635 0.824 ( -0.309 -5.941 0.809) 6.003 0.963 ( -0.538 8.398 0.047) 8.415 1.092 ( 1.351 -2.357 -2.097) 3.432 1.126 ( 4.227 -4.548 0.973) 6.285 1.179 ( -3.811 -1.389 0.792) 4.133 1.392 ( 1.154 -0.593 -0.985) 1.629 1.440 ( -2.274 -1.535 -0.637) 2.817 1.565 ( -3.085 2.634 -1.095) 4.201 1.670 ( 2.016 0.631 -1.107) 2.385 1.918 ( 0.021 0.153 1.439) 1.448 2.015 ( 1.622 -0.089 -0.112) 1.628 2.219 ( 0.594 0.188 -1.521) 1.644 2.302 ( -0.184 -0.937 1.610) 1.872 2.655 ( -0.686 -0.105 0.132) 0.707 2.755 ( 1.148 0.145 -0.117) 1.163 2.909 ( 0.702 0.952 0.565) 1.311 2.924 ( 0.393 -0.103 1.173) 1.241 2.999 ( -1.214 0.341 -1.760) 2.165 3.218 ( -1.063 2.359 -0.161) 2.592 3.243 ( 0.472 -0.139 -0.804) 0.943 3.309 ( -2.175 -1.377 1.111) 2.803 3.485 ( 0.506 -3.596 0.333) 3.646 3.780 ( 0.907 4.406 -0.027) 4.499 3.874 ( -3.650 -4.072 0.393) 5.482 3.991 ( -2.934 5.903 -2.360) 7.002 4.075 ( -2.403 -3.426 -2.078) 4.673 4.363 ( 1.569 -0.198 1.070) 1.909 5.502 ( 4.858 -0.203 -6.862) 8.411 5.913 ( -3.671 0.103 4.245) 5.613 ======================= Grid point 119 (54/129) ======================= q-point: (-0.12 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -6.762 0.056 2.298) 7.142 0.791 ( -7.199 0.255 2.910) 7.769 0.946 ( 4.965 3.765 -1.288) 6.363 1.118 ( 1.242 -0.927 -2.936) 3.320 1.184 ( -1.525 -7.882 1.650) 8.196 1.246 ( 4.852 -2.103 0.209) 5.292 1.345 ( -3.850 1.578 -0.805) 4.238 1.449 ( -1.521 0.617 -1.053) 1.950 1.492 ( -0.031 -0.349 -0.566) 0.666 1.680 ( 1.558 2.354 -1.219) 3.075 1.916 ( -0.963 0.118 1.647) 1.912 2.042 ( 1.818 0.429 0.147) 1.874 2.217 ( 0.637 0.163 -1.352) 1.504 2.321 ( 0.625 -0.324 1.681) 1.822 2.658 ( 0.466 -0.775 0.065) 0.906 2.764 ( 0.183 0.297 -0.280) 0.447 2.902 ( -0.856 0.871 0.286) 1.254 2.913 ( -1.726 1.016 1.131) 2.300 2.979 ( -0.077 0.128 -0.834) 0.847 3.167 ( -1.789 1.142 -0.881) 2.298 3.241 ( -0.111 0.975 -0.303) 1.027 3.328 ( 1.564 -1.640 0.866) 2.425 3.542 ( 0.855 -6.469 0.481) 6.543 3.733 ( -1.081 3.767 0.005) 3.919 3.865 ( -1.705 1.365 -1.328) 2.556 3.902 ( 0.168 1.900 -2.133) 2.861 4.075 ( -0.287 -2.760 -1.239) 3.039 4.388 ( 0.464 0.149 1.588) 1.661 5.569 ( 6.888 -0.311 -8.002) 10.562 5.856 ( -5.655 0.142 5.409) 7.827 ======================= Grid point 126 (55/129) ======================= q-point: (-0.25 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -10.161 -0.000 2.906) 10.569 0.798 ( -4.337 -0.000 -1.125) 4.480 1.032 ( 2.684 0.000 1.748) 3.203 1.054 ( 0.984 0.000 -0.839) 1.293 1.109 ( -2.232 -0.000 -1.590) 2.740 1.225 ( 6.623 0.000 0.896) 6.684 1.363 ( -5.537 -0.000 -0.408) 5.552 1.445 ( 3.935 0.000 -1.134) 4.095 1.493 ( -4.583 -0.000 -1.255) 4.752 1.705 ( 1.951 0.000 -1.230) 2.306 1.915 ( -1.198 -0.000 1.792) 2.155 2.047 ( 2.257 0.000 0.116) 2.260 2.218 ( 0.278 0.000 -1.258) 1.288 2.319 ( 1.534 0.000 1.499) 2.144 2.651 ( 0.299 0.000 0.056) 0.304 2.766 ( 0.178 0.000 -0.254) 0.310 2.911 ( -1.007 -0.000 0.340) 1.063 2.925 ( -1.348 -0.000 1.320) 1.887 2.979 ( -0.553 -0.000 -0.803) 0.975 3.181 ( -2.259 -0.000 -1.331) 2.622 3.265 ( -2.465 -0.000 1.275) 2.776 3.295 ( 3.870 0.000 -0.067) 3.871 3.480 ( 0.899 0.000 0.465) 1.012 3.773 ( -3.838 -0.000 0.624) 3.889 3.847 ( 2.731 0.000 -1.392) 3.065 3.970 ( -1.324 -0.000 -3.409) 3.657 4.023 ( -1.387 -0.000 -0.967) 1.690 4.389 ( 0.815 0.000 1.870) 2.040 5.566 ( 6.979 0.000 -8.048) 10.652 5.857 ( -5.683 -0.000 5.370) 7.819 ======================= Grid point 127 (56/129) ======================= q-point: (-0.12 -0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -10.011 -1.843 4.398) 11.089 0.658 ( -10.532 0.418 1.304) 10.621 1.007 ( -7.541 -2.657 1.733) 8.181 1.078 ( 0.889 1.253 -2.598) 3.019 1.148 ( 4.716 -3.145 -0.265) 5.674 1.240 ( -6.546 1.331 0.045) 6.680 1.340 ( 5.459 -1.074 0.854) 5.629 1.446 ( 1.556 1.767 -2.866) 3.709 1.508 ( 2.956 -1.916 -0.982) 3.657 1.715 ( 0.773 1.693 -1.200) 2.214 1.896 ( -2.265 -0.251 2.159) 3.140 2.088 ( 2.939 0.817 -0.034) 3.050 2.228 ( 1.589 -0.235 -0.653) 1.734 2.354 ( 2.071 0.528 0.890) 2.315 2.660 ( 0.213 -0.463 0.232) 0.560 2.756 ( -1.184 0.110 -0.285) 1.223 2.884 ( -2.898 0.887 0.945) 3.175 2.888 ( -2.136 0.471 0.357) 2.216 2.984 ( 1.528 -0.377 -0.530) 1.660 3.147 ( -0.804 0.676 -1.359) 1.718 3.231 ( -1.736 0.163 0.314) 1.772 3.366 ( 3.663 -0.964 0.265) 3.797 3.523 ( 2.074 -3.461 0.533) 4.069 3.725 ( -1.670 0.648 0.211) 1.804 3.883 ( 1.249 3.953 -1.755) 4.502 3.919 ( 1.435 1.655 -3.529) 4.154 4.022 ( -1.161 -5.486 -2.080) 5.981 4.402 ( -0.339 0.504 2.248) 2.328 5.654 ( 7.719 -0.066 -7.755) 10.942 5.777 ( -6.943 0.034 5.935) 9.134 ======================= Grid point 135 (57/129) ======================= q-point: (-0.12 -0.12 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( -8.558 -0.000 7.939) 11.674 0.473 ( -12.506 -0.000 2.061) 12.675 0.764 ( -18.853 -0.000 4.287) 19.334 1.066 ( -0.872 -0.000 -3.244) 3.359 1.163 ( -3.587 -0.000 0.633) 3.642 1.252 ( 7.076 0.000 -0.602) 7.101 1.429 ( 4.752 0.000 0.820) 4.823 1.497 ( 4.748 0.000 -3.889) 6.137 1.538 ( 2.416 0.000 -0.530) 2.473 1.716 ( -1.032 -0.000 -1.075) 1.490 1.861 ( -2.911 -0.000 2.383) 3.762 2.144 ( 3.300 0.000 -0.688) 3.371 2.264 ( 3.108 0.000 -0.268) 3.119 2.395 ( 1.998 0.000 0.135) 2.003 2.656 ( -0.726 -0.000 0.427) 0.842 2.728 ( -1.959 -0.000 0.111) 1.963 2.827 ( -4.269 -0.000 1.017) 4.388 2.865 ( -1.279 -0.000 -0.158) 1.289 3.023 ( 3.670 0.000 -0.913) 3.782 3.138 ( -0.287 -0.000 -1.202) 1.236 3.204 ( -1.100 -0.000 -0.949) 1.453 3.419 ( 2.897 0.000 0.267) 2.909 3.551 ( 2.628 0.000 0.476) 2.671 3.706 ( -0.979 -0.000 0.219) 1.004 3.886 ( -3.036 -0.000 -7.699) 8.277 3.935 ( -2.808 -0.000 -1.094) 3.014 3.978 ( 5.798 0.000 -1.321) 5.946 4.402 ( -1.177 -0.000 2.466) 2.732 5.683 ( -7.143 -0.000 5.765) 9.180 5.748 ( 7.086 0.000 -6.279) 9.468 ======================= Grid point 136 (58/129) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( 4.544 0.000 3.673) 5.843 0.296 ( -1.640 -0.000 5.725) 5.956 0.631 ( -4.479 -0.000 12.887) 13.643 0.990 ( 1.979 0.000 -2.667) 3.321 1.154 ( -0.387 -0.000 2.419) 2.450 1.351 ( 1.786 0.000 -1.841) 2.565 1.517 ( 1.713 0.000 -3.910) 4.269 1.545 ( -0.522 -0.000 0.129) 0.538 1.588 ( -3.593 -0.000 0.998) 3.729 1.652 ( 3.478 0.000 -0.780) 3.564 1.848 ( -1.066 -0.000 2.742) 2.942 2.152 ( 0.251 0.000 -2.567) 2.579 2.305 ( -1.391 -0.000 -1.467) 2.022 2.449 ( 2.284 0.000 0.648) 2.374 2.641 ( -0.203 -0.000 0.450) 0.494 2.711 ( -3.522 -0.000 0.558) 3.566 2.740 ( 1.815 0.000 0.798) 1.983 2.808 ( 0.736 0.000 -1.002) 1.243 2.987 ( -2.023 -0.000 -0.984) 2.249 3.063 ( -0.424 -0.000 -1.527) 1.584 3.147 ( 1.350 0.000 -1.986) 2.401 3.465 ( -0.945 -0.000 0.302) 0.992 3.613 ( 0.582 0.000 -0.149) 0.600 3.681 ( -0.866 -0.000 0.136) 0.877 3.780 ( 5.883 0.000 -0.189) 5.886 3.859 ( 1.009 0.000 -1.165) 1.542 4.046 ( 0.052 0.000 -2.948) 2.948 4.444 ( -0.094 -0.000 1.632) 1.634 5.595 ( -6.941 -0.000 4.484) 8.263 5.855 ( 6.418 0.000 -3.020) 7.093 ======================= Grid point 137 (59/129) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 7.823 -0.778 4.090) 8.862 0.498 ( 14.518 -9.968 1.821) 17.704 0.649 ( 0.685 -0.916 10.222) 10.286 1.025 ( 3.009 -0.611 -2.152) 3.750 1.162 ( 0.504 0.564 1.907) 2.051 1.354 ( -0.467 1.446 -1.466) 2.111 1.471 ( -4.778 1.663 -0.179) 5.062 1.500 ( -2.244 0.187 -2.115) 3.089 1.553 ( -2.334 -1.826 -0.532) 3.011 1.704 ( 2.759 1.010 -0.540) 2.987 1.867 ( 1.127 -0.814 2.183) 2.588 2.125 ( -0.989 1.942 -2.212) 3.105 2.254 ( -3.316 0.161 -0.929) 3.447 2.480 ( 1.370 1.942 0.325) 2.399 2.655 ( 1.230 -0.756 0.514) 1.532 2.670 ( -1.837 -1.039 0.850) 2.275 2.788 ( 2.588 -0.671 0.451) 2.711 2.841 ( 3.074 -0.620 -1.174) 3.348 2.964 ( -0.954 -0.737 -0.926) 1.520 3.068 ( 1.134 -1.154 -0.822) 1.815 3.164 ( 1.945 -0.121 -1.876) 2.705 3.436 ( -2.776 -0.339 0.076) 2.798 3.607 ( -1.603 -0.887 0.080) 1.834 3.684 ( 0.103 -1.632 0.004) 1.635 3.825 ( 4.429 6.684 -2.709) 8.463 3.959 ( 5.627 -7.451 -3.535) 9.984 4.018 ( -1.988 -0.812 -2.556) 3.339 4.431 ( -1.653 1.374 1.768) 2.783 5.510 ( -5.043 0.253 2.299) 5.548 5.928 ( 3.693 0.194 -1.543) 4.008 ======================= Grid point 138 (60/129) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 7.559 -0.228 3.890) 8.504 0.684 ( 1.574 -4.660 4.809) 6.879 0.867 ( 13.412 -5.883 1.629) 14.736 1.079 ( 4.097 -0.424 -1.493) 4.381 1.182 ( 1.475 0.406 1.116) 1.894 1.274 ( -4.881 4.132 -0.031) 6.396 1.394 ( -3.885 -0.391 0.116) 3.906 1.443 ( -2.869 0.449 -2.238) 3.666 1.532 ( -2.121 -2.798 -1.258) 3.730 1.709 ( 0.413 3.087 -0.767) 3.208 1.902 ( 0.657 -1.199 1.732) 2.206 2.078 ( -0.708 2.752 -1.237) 3.099 2.202 ( -2.312 -0.170 -0.803) 2.453 2.456 ( -1.577 2.769 0.954) 3.326 2.673 ( 0.560 -0.169 0.701) 0.913 2.694 ( 1.915 -1.049 0.276) 2.201 2.835 ( 2.342 -0.392 0.160) 2.380 2.891 ( 2.140 -1.050 -0.204) 2.392 2.947 ( -1.076 -0.982 -1.918) 2.409 3.104 ( 1.368 -1.847 -0.722) 2.409 3.200 ( 2.601 -0.429 -0.923) 2.793 3.386 ( -3.410 -0.494 0.010) 3.446 3.589 ( -2.337 -2.996 0.206) 3.805 3.704 ( 0.899 -0.558 -0.071) 1.060 3.813 ( 2.262 5.464 -2.635) 6.475 3.979 ( -2.096 -0.426 -2.263) 3.114 4.061 ( 1.710 -4.899 -4.061) 6.589 4.402 ( -0.789 1.483 2.485) 3.000 5.446 ( -2.421 0.711 -0.813) 2.651 5.962 ( 1.085 0.060 0.124) 1.093 ======================= Grid point 139 (61/129) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 5.026 1.147 3.497) 6.230 0.764 ( 2.133 -3.597 2.414) 4.829 1.040 ( 1.019 -3.065 -1.371) 3.509 1.092 ( -2.672 5.449 1.333) 6.213 1.216 ( 5.764 0.577 -0.324) 5.802 1.235 ( 3.098 0.664 -0.076) 3.169 1.348 ( -3.245 -2.952 0.664) 4.437 1.392 ( -1.739 -1.258 -2.147) 3.036 1.509 ( -2.720 -1.684 -0.762) 3.289 1.672 ( -0.091 3.961 -1.074) 4.105 1.922 ( -0.452 -1.481 1.561) 2.199 2.050 ( 0.439 2.301 -0.317) 2.364 2.177 ( -0.585 -0.586 -0.933) 1.248 2.406 ( -2.062 2.309 1.472) 3.428 2.686 ( 0.743 0.806 1.024) 1.500 2.730 ( 1.325 -0.734 -0.188) 1.526 2.871 ( 1.347 -0.634 -0.177) 1.499 2.922 ( 0.270 -0.716 0.343) 0.838 2.936 ( -0.153 -1.013 -1.436) 1.764 3.132 ( 0.923 -1.415 -1.045) 1.986 3.223 ( 0.119 0.549 -0.770) 0.953 3.350 ( -1.486 -1.198 0.717) 2.039 3.594 ( -1.410 -5.248 0.178) 5.437 3.713 ( 1.269 3.005 -0.162) 3.266 3.791 ( 0.865 2.285 -1.907) 3.100 3.929 ( -2.614 0.405 -2.696) 3.777 4.087 ( 0.348 -1.692 -1.351) 2.193 4.402 ( 0.139 0.481 1.985) 2.047 5.416 ( 1.105 0.820 -3.962) 4.194 5.965 ( -1.296 -0.102 1.722) 2.157 ======================= Grid point 140 (62/129) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -1.406 3.400 2.881) 4.673 0.857 ( 3.903 -3.802 1.690) 5.705 0.929 ( -7.188 4.916 1.880) 8.908 1.084 ( 1.220 0.323 -1.693) 2.112 1.249 ( -1.688 -1.181 -0.921) 2.257 1.286 ( 2.700 0.163 -0.137) 2.708 1.337 ( 0.356 2.692 -0.762) 2.821 1.391 ( -0.804 -1.879 -0.296) 2.065 1.494 ( 0.550 -1.212 0.020) 1.331 1.639 ( 0.174 1.674 -1.215) 2.076 1.931 ( -0.808 -1.428 1.323) 2.107 2.047 ( 0.880 0.868 0.051) 1.237 2.182 ( 1.114 -0.497 -1.284) 1.771 2.371 ( -1.184 0.825 1.926) 2.407 2.691 ( 0.371 1.191 1.215) 1.741 2.746 ( 0.152 -0.497 -0.520) 0.735 2.886 ( -0.309 -0.943 -0.287) 1.033 2.910 ( -1.701 -0.467 0.168) 1.772 2.948 ( 0.674 -0.752 -0.920) 1.366 3.140 ( -0.702 0.030 -0.744) 1.024 3.214 ( 0.671 -0.353 -1.072) 1.313 3.356 ( 0.308 -0.633 0.995) 1.219 3.630 ( -0.312 -4.822 0.096) 4.833 3.687 ( 0.403 5.380 -0.071) 5.395 3.786 ( 0.375 -0.039 -1.628) 1.671 3.878 ( -0.881 0.589 -2.320) 2.551 4.099 ( 0.924 1.089 -0.188) 1.441 4.409 ( -0.353 -0.746 1.521) 1.730 5.437 ( 4.897 0.486 -6.133) 7.863 5.936 ( -3.568 -0.081 3.171) 4.775 ======================= Grid point 141 (63/129) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -5.473 4.663 3.680) 8.077 0.771 ( -8.289 5.022 4.408) 10.647 0.957 ( 3.124 -2.967 -0.135) 4.311 1.085 ( -1.210 0.344 -1.304) 1.813 1.203 ( -4.605 -2.079 -0.478) 5.075 1.277 ( -1.962 5.911 2.437) 6.688 1.326 ( 1.071 -2.306 -2.654) 3.676 1.395 ( 3.307 2.145 -0.249) 3.949 1.529 ( 3.210 1.633 -0.749) 3.679 1.648 ( 0.593 -2.648 -0.974) 2.883 1.930 ( -1.268 -0.641 1.363) 1.969 2.064 ( 1.152 -1.142 -0.351) 1.660 2.207 ( 2.404 0.102 -1.593) 2.886 2.373 ( 0.095 -1.005 2.125) 2.353 2.689 ( -0.070 1.126 1.065) 1.552 2.740 ( -0.904 -0.272 -0.720) 1.187 2.873 ( -2.129 -1.108 -0.125) 2.403 2.883 ( -2.334 -0.637 0.579) 2.488 2.962 ( 1.506 -0.022 -1.817) 2.360 3.117 ( -0.800 0.490 -0.820) 1.246 3.227 ( -0.294 -0.514 -0.245) 0.641 3.380 ( 2.156 -0.062 0.128) 2.161 3.624 ( 0.907 6.203 -0.215) 6.272 3.677 ( -1.513 -5.096 0.124) 5.317 3.781 ( -0.098 0.094 -1.955) 1.960 3.884 ( 2.983 0.462 -1.420) 3.336 4.081 ( 0.003 4.474 -1.093) 4.606 4.420 ( -0.735 -1.915 1.692) 2.659 5.512 ( 7.790 0.011 -6.771) 10.321 5.878 ( -5.601 0.026 4.411) 7.129 ======================= Grid point 142 (64/129) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -7.418 3.227 4.908) 9.462 0.607 ( -8.234 6.273 5.828) 11.879 0.924 ( -13.353 3.329 4.406) 14.449 1.007 ( 0.032 1.048 -2.928) 3.110 1.165 ( -2.214 -1.587 0.803) 2.839 1.258 ( 3.164 1.155 1.304) 3.612 1.381 ( 4.146 -2.894 -3.532) 6.167 1.453 ( 4.685 1.036 -0.230) 4.804 1.555 ( 3.214 3.015 -1.181) 4.562 1.674 ( -0.549 -2.795 -0.502) 2.893 1.910 ( -2.255 0.236 1.885) 2.948 2.100 ( 1.665 -2.380 -1.360) 3.207 2.246 ( 3.447 0.268 -1.711) 3.857 2.401 ( 0.342 -1.778 1.871) 2.604 2.677 ( -0.767 1.002 0.748) 1.467 2.720 ( -0.943 0.062 -0.589) 1.114 2.839 ( -3.153 -0.826 0.151) 3.263 2.849 ( -2.447 -0.461 0.334) 2.512 2.985 ( 2.676 0.177 -3.043) 4.057 3.104 ( -0.029 0.158 -0.890) 0.905 3.197 ( -2.923 0.471 -0.160) 2.965 3.427 ( 3.272 0.261 -0.580) 3.334 3.598 ( 1.430 3.640 -0.061) 3.911 3.693 ( -1.174 -3.615 0.033) 3.802 3.761 ( -0.864 0.727 -2.275) 2.540 3.930 ( 2.159 0.769 -0.741) 2.409 4.022 ( 0.886 6.249 -2.027) 6.629 4.429 ( -1.132 -1.807 1.771) 2.772 5.625 ( 8.956 -0.274 -6.017) 10.793 5.793 ( -7.089 0.064 5.256) 8.826 ======================= Grid point 143 (65/129) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -11.304 0.688 4.461) 12.171 0.429 ( -8.761 9.542 4.794) 13.813 0.699 ( -10.689 2.550 10.680) 15.324 0.988 ( 0.295 0.717 -2.832) 2.937 1.154 ( -1.389 -0.959 2.198) 2.771 1.316 ( 3.077 -0.425 -0.821) 3.213 1.466 ( 4.804 -2.250 -3.787) 6.518 1.515 ( 3.440 0.312 -0.057) 3.455 1.583 ( 3.373 1.859 -0.591) 3.896 1.662 ( -2.718 -1.081 -0.212) 2.933 1.874 ( -2.685 0.478 2.423) 3.648 2.139 ( 1.439 -1.866 -2.272) 3.273 2.295 ( 3.139 0.035 -1.827) 3.632 2.423 ( -0.203 -1.348 1.418) 1.967 2.655 ( -1.091 0.740 0.480) 1.403 2.713 ( 0.797 0.503 -0.217) 0.967 2.782 ( -4.197 0.252 1.090) 4.343 2.820 ( -1.447 -0.488 -0.999) 1.824 3.009 ( 1.461 -0.132 -3.867) 4.136 3.095 ( -1.391 0.316 -0.538) 1.524 3.145 ( -1.182 0.279 -1.441) 1.885 3.463 ( 1.669 0.819 -0.317) 1.886 3.601 ( 1.209 1.180 0.032) 1.689 3.708 ( 1.019 1.889 -0.350) 2.174 3.722 ( -2.228 -2.386 -0.086) 3.266 3.890 ( -1.473 3.868 -0.683) 4.195 4.034 ( 3.692 1.699 -2.450) 4.746 4.434 ( -0.596 -1.085 1.894) 2.263 5.694 ( -7.654 0.011 5.385) 9.359 5.748 ( 8.327 -0.236 -4.508) 9.472 ======================= Grid point 145 (66/129) ======================= q-point: ( 0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 10.102 0.000 2.486) 10.403 0.629 ( 3.642 0.000 5.425) 6.534 0.806 ( 12.562 0.000 3.321) 12.993 1.076 ( 5.092 0.000 -1.504) 5.309 1.189 ( 1.759 0.000 1.314) 2.195 1.308 ( -5.920 -0.000 0.054) 5.920 1.394 ( -4.962 -0.000 0.502) 4.987 1.446 ( -2.782 -0.000 -3.163) 4.212 1.506 ( -1.526 -0.000 -1.176) 1.927 1.739 ( 0.976 0.000 -0.730) 1.219 1.888 ( 0.421 0.000 1.821) 1.869 2.105 ( -1.131 -0.000 -1.305) 1.727 2.200 ( -2.559 -0.000 -0.804) 2.682 2.481 ( -2.296 -0.000 1.011) 2.509 2.674 ( 1.971 0.000 -0.140) 1.976 2.682 ( 1.802 0.000 1.013) 2.068 2.833 ( 2.511 0.000 0.737) 2.617 2.880 ( 2.473 0.000 -0.501) 2.523 2.936 ( -1.266 -0.000 -1.610) 2.048 3.087 ( 1.838 0.000 -0.667) 1.955 3.196 ( 2.798 0.000 -1.048) 2.988 3.379 ( -3.811 -0.000 -0.200) 3.817 3.560 ( -3.187 -0.000 0.520) 3.229 3.689 ( 1.134 0.000 0.008) 1.134 3.930 ( 0.165 0.000 -3.741) 3.745 3.946 ( 3.946 0.000 -0.870) 4.040 3.990 ( 0.183 0.000 -4.479) 4.482 4.416 ( -1.506 -0.000 2.383) 2.820 5.453 ( -2.393 -0.000 -0.684) 2.489 5.963 ( 0.971 0.000 0.085) 0.975 ======================= Grid point 146 (67/129) ======================= q-point: ( 0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 7.785 2.699 2.549) 8.625 0.720 ( 4.273 -1.484 2.856) 5.350 0.970 ( 4.266 -3.616 -0.197) 5.596 1.169 ( -1.377 2.541 0.648) 2.962 1.191 ( -0.242 -0.773 0.510) 0.957 1.259 ( 5.782 0.493 0.465) 5.822 1.308 ( -5.132 -1.352 0.471) 5.328 1.387 ( -2.338 -0.049 -2.782) 3.634 1.486 ( -1.125 -0.529 -1.375) 1.854 1.729 ( -0.424 2.026 -0.988) 2.293 1.895 ( -0.916 -1.167 1.672) 2.235 2.084 ( -0.192 1.181 -0.350) 1.247 2.169 ( -0.750 -0.269 -0.914) 1.212 2.435 ( -3.089 0.879 1.525) 3.555 2.703 ( 1.640 0.919 0.227) 1.893 2.718 ( 1.461 -0.631 0.467) 1.659 2.868 ( 1.373 0.248 0.556) 1.501 2.912 ( 0.902 -0.343 0.301) 1.011 2.917 ( -0.314 -0.856 -1.443) 1.707 3.116 ( 1.958 -0.441 -1.046) 2.263 3.237 ( 1.913 0.808 -0.106) 2.080 3.319 ( -3.367 -1.724 -0.118) 3.784 3.523 ( -2.430 -2.268 0.474) 3.357 3.715 ( 1.594 -0.491 0.004) 1.668 3.890 ( 0.832 4.729 -1.853) 5.147 3.939 ( -1.514 1.745 -3.631) 4.304 4.033 ( 2.224 -4.164 -1.692) 5.014 4.408 ( -0.924 0.183 2.437) 2.613 5.427 ( 0.862 0.361 -3.865) 3.977 5.963 ( -1.338 -0.027 1.731) 2.188 ======================= Grid point 147 (68/129) ======================= q-point: (-0.62 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 3.262 6.311 1.512) 7.263 0.803 ( 3.356 -2.130 3.164) 5.081 1.003 ( -2.968 2.617 -0.890) 4.055 1.077 ( -1.774 -0.931 -0.051) 2.004 1.214 ( -5.071 -2.097 -0.212) 5.492 1.241 ( 0.141 -4.463 -0.298) 4.475 1.360 ( 0.773 0.323 -1.616) 1.820 1.402 ( 7.080 2.083 0.287) 7.386 1.463 ( -1.008 -1.180 -0.508) 1.633 1.691 ( -0.790 2.948 -1.055) 3.229 1.900 ( -0.865 -1.790 1.268) 2.358 2.070 ( -0.243 1.391 0.199) 1.426 2.172 ( 1.219 -0.549 -1.172) 1.778 2.386 ( -2.774 0.705 1.799) 3.381 2.714 ( 0.670 1.242 0.701) 1.576 2.738 ( 0.337 -0.372 -0.006) 0.502 2.877 ( -0.312 -0.027 0.093) 0.327 2.905 ( -1.370 -0.260 -0.242) 1.415 2.933 ( 1.022 -0.808 -0.551) 1.414 3.147 ( 1.726 0.588 -0.725) 1.963 3.220 ( -0.856 1.051 -0.953) 1.657 3.324 ( 0.161 -2.805 0.957) 2.968 3.530 ( -0.776 -4.713 0.311) 4.786 3.741 ( 1.278 0.842 -0.035) 1.531 3.851 ( -0.506 3.260 -1.690) 3.707 3.894 ( 1.464 3.518 -2.701) 4.670 4.092 ( 2.444 -1.956 -0.614) 3.190 4.397 ( -1.725 -0.475 1.867) 2.586 5.445 ( 4.481 0.358 -6.237) 7.688 5.935 ( -3.479 -0.037 3.226) 4.745 ======================= Grid point 148 (69/129) ======================= q-point: (-0.50 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -2.697 8.172 1.988) 8.833 0.841 ( -6.199 1.343 6.766) 9.274 0.932 ( 2.895 1.720 -1.585) 3.722 1.072 ( -1.721 -1.513 -1.191) 2.582 1.170 ( -2.096 -2.316 -1.874) 3.642 1.263 ( -0.642 -3.506 -1.665) 3.934 1.370 ( 1.187 2.663 -0.626) 2.982 1.441 ( 1.690 1.856 0.768) 2.625 1.509 ( 3.567 -1.759 -0.017) 3.977 1.649 ( -0.469 2.257 -0.990) 2.508 1.909 ( -0.591 -1.569 0.886) 1.896 2.055 ( -0.774 0.084 0.029) 0.779 2.204 ( 2.632 -0.457 -1.533) 3.080 2.356 ( -1.783 -0.850 1.980) 2.797 2.711 ( 0.061 1.326 0.772) 1.536 2.737 ( -0.547 -0.003 -0.168) 0.573 2.859 ( -2.009 -0.423 -0.141) 2.057 2.877 ( -2.086 -0.214 0.358) 2.128 2.959 ( 2.069 -0.259 -1.685) 2.681 3.136 ( -0.542 1.697 -0.484) 1.845 3.222 ( 0.844 -0.239 -0.710) 1.129 3.361 ( 1.445 -1.937 0.574) 2.484 3.569 ( -0.657 -5.735 0.235) 5.777 3.718 ( -1.531 3.548 0.020) 3.864 3.825 ( 1.592 2.513 -2.181) 3.689 3.903 ( 4.277 3.307 -1.420) 5.590 4.136 ( 2.475 1.253 -1.164) 3.009 4.382 ( -2.091 -2.020 1.509) 3.276 5.512 ( 7.420 0.037 -7.072) 10.250 5.878 ( -5.480 0.061 4.451) 7.060 ======================= Grid point 149 (70/129) ======================= q-point: (-0.38 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -5.468 8.041 2.944) 10.160 0.711 ( -7.653 5.389 7.230) 11.827 0.960 ( -2.149 0.980 0.194) 2.370 1.025 ( -2.514 -0.058 -1.010) 2.709 1.152 ( -0.845 0.267 -1.673) 1.893 1.288 ( 0.314 0.481 0.747) 0.942 1.338 ( 1.701 0.037 -2.080) 2.688 1.474 ( 3.510 1.358 -0.037) 3.764 1.587 ( 3.248 -1.655 -0.246) 3.653 1.632 ( 0.144 0.265 -1.020) 1.063 1.908 ( -1.331 -0.465 1.346) 1.949 2.052 ( -0.371 -2.640 -1.041) 2.862 2.248 ( 3.249 -0.148 -1.840) 3.737 2.359 ( -0.987 -2.723 1.893) 3.460 2.699 ( -0.528 1.352 0.428) 1.513 2.725 ( -0.244 0.580 0.181) 0.655 2.825 ( -2.308 -0.584 -0.270) 2.396 2.845 ( -2.295 -0.090 0.705) 2.403 2.987 ( 2.507 0.110 -2.960) 3.881 3.117 ( 0.237 1.262 -0.620) 1.426 3.211 ( -1.773 0.979 -0.100) 2.028 3.413 ( 2.656 -1.590 -0.119) 3.098 3.600 ( -1.709 -5.457 0.113) 5.719 3.662 ( -0.954 3.186 0.091) 3.327 3.823 ( 2.909 4.145 -3.062) 5.918 3.951 ( 4.152 2.111 -0.469) 4.681 4.130 ( 1.810 5.413 -3.160) 6.523 4.383 ( -1.673 -3.296 1.748) 4.089 5.619 ( 8.796 -0.328 -6.393) 10.879 5.795 ( -7.044 0.140 5.220) 8.769 ======================= Grid point 150 (71/129) ======================= q-point: (-0.25 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -6.467 8.354 2.523) 10.862 0.585 ( -5.392 6.754 8.603) 12.194 0.805 ( -8.271 9.387 3.231) 12.921 1.009 ( 0.496 1.295 -2.018) 2.448 1.130 ( -1.080 -1.116 0.748) 1.724 1.301 ( 1.323 -1.127 0.814) 1.920 1.414 ( 4.765 -3.320 -3.407) 6.733 1.515 ( 1.997 -0.165 -0.374) 2.038 1.625 ( 2.631 2.317 -0.875) 3.613 1.637 ( -0.749 -1.549 -0.270) 1.742 1.885 ( -2.138 0.645 2.198) 3.134 2.080 ( 0.600 -4.497 -2.283) 5.079 2.293 ( 2.590 -0.366 -1.982) 3.282 2.380 ( -0.713 -3.349 1.545) 3.756 2.675 ( -0.942 1.353 0.231) 1.664 2.730 ( 1.601 1.262 0.666) 2.145 2.789 ( -2.577 0.445 0.344) 2.638 2.812 ( -1.627 -0.209 -0.079) 1.643 3.007 ( 1.424 -0.015 -3.733) 3.995 3.114 ( 0.590 1.661 -0.220) 1.776 3.157 ( -2.235 1.280 -0.830) 2.706 3.462 ( 1.542 -1.082 -0.296) 1.907 3.613 ( -0.922 -2.651 0.120) 2.809 3.642 ( -0.214 -0.899 0.080) 0.927 3.815 ( 3.228 6.111 -4.279) 8.129 3.965 ( 0.615 4.051 0.056) 4.098 4.099 ( 2.901 5.545 -4.366) 7.631 4.397 ( -1.046 -3.094 1.988) 3.824 5.695 ( -7.698 0.035 5.296) 9.344 5.741 ( 8.313 -0.454 -4.815) 9.618 ======================= Grid point 151 (72/129) ======================= q-point: (-0.12 0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 2.167 8.461 1.933) 8.945 0.473 ( 0.106 14.017 5.284) 14.980 0.658 ( -4.420 4.419 9.753) 11.584 1.003 ( 1.830 1.447 -2.378) 3.331 1.141 ( -0.035 -1.341 1.852) 2.287 1.337 ( 1.039 -1.947 -0.934) 2.397 1.486 ( 1.653 -2.722 -3.195) 4.511 1.530 ( -1.334 -1.550 0.117) 2.049 1.611 ( -2.059 1.672 -0.251) 2.665 1.653 ( 3.003 0.464 -0.709) 3.120 1.860 ( -0.829 1.080 2.568) 2.907 2.116 ( 0.253 -3.852 -2.660) 4.688 2.300 ( -1.586 -0.691 -1.346) 2.192 2.422 ( 1.975 -2.822 0.615) 3.499 2.654 ( -0.130 1.307 0.294) 1.346 2.728 ( -3.625 1.125 1.358) 4.031 2.758 ( 2.548 2.085 0.070) 3.293 2.807 ( 1.391 0.005 -0.951) 1.685 2.994 ( -0.958 0.615 -2.006) 2.307 3.082 ( -0.666 2.331 -0.571) 2.491 3.147 ( 1.360 0.049 -1.885) 2.325 3.471 ( -1.029 -0.064 -0.087) 1.034 3.620 ( 0.498 0.670 -0.052) 0.837 3.674 ( 0.330 -4.989 0.344) 5.011 3.776 ( 1.948 6.081 -3.918) 7.492 3.944 ( 3.521 5.826 -1.091) 6.894 4.071 ( 0.026 3.129 -3.666) 4.820 4.421 ( -0.394 -2.599 1.846) 3.212 5.594 ( -7.050 -0.138 4.373) 8.298 5.851 ( 6.444 -0.426 -3.076) 7.153 ======================= Grid point 154 (73/129) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 3.288 0.000 3.763) 4.997 0.847 ( 6.142 0.000 -0.310) 6.150 0.999 ( 2.941 0.000 -2.105) 3.617 1.078 ( -6.482 -0.000 2.088) 6.810 1.191 ( -1.415 -0.000 -0.665) 1.564 1.192 ( -6.731 -0.000 0.450) 6.746 1.363 ( 1.549 0.000 -1.457) 2.127 1.424 ( 8.719 0.000 0.203) 8.721 1.455 ( -2.036 -0.000 -1.139) 2.333 1.720 ( -1.131 -0.000 -1.054) 1.546 1.881 ( -0.671 -0.000 1.251) 1.419 2.084 ( -0.662 -0.000 0.274) 0.716 2.167 ( 1.164 0.000 -1.151) 1.637 2.393 ( -3.365 -0.000 1.753) 3.794 2.729 ( 0.857 0.000 -0.578) 1.034 2.732 ( 0.295 0.000 1.291) 1.325 2.880 ( -0.654 -0.000 0.720) 0.973 2.901 ( -0.844 -0.000 -1.106) 1.391 2.925 ( 1.200 0.000 -0.202) 1.217 3.154 ( 3.209 0.000 -0.901) 3.333 3.243 ( -3.655 -0.000 -0.522) 3.692 3.282 ( 2.021 0.000 0.755) 2.158 3.486 ( -0.905 -0.000 0.447) 1.010 3.748 ( 2.581 0.000 -0.001) 2.581 3.861 ( -3.359 -0.000 -2.000) 3.909 3.969 ( 4.211 0.000 -3.165) 5.268 4.052 ( 2.428 0.000 -0.296) 2.446 4.393 ( -2.196 -0.000 2.118) 3.051 5.448 ( 4.302 0.000 -6.282) 7.614 5.935 ( -3.443 -0.000 3.248) 4.733 ======================= Grid point 155 (74/129) ======================= q-point: (-0.62 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -1.961 0.150 4.726) 5.119 0.846 ( -2.049 4.828 0.701) 5.291 1.002 ( -1.126 4.111 0.801) 4.337 1.053 ( 1.680 -0.181 -2.041) 2.650 1.113 ( -2.187 -3.426 -1.862) 4.471 1.188 ( 0.012 -4.395 -0.685) 4.449 1.397 ( 2.202 0.957 -1.124) 2.651 1.422 ( -0.488 -1.578 -0.420) 1.704 1.529 ( 4.408 1.541 0.538) 4.701 1.686 ( -1.603 1.312 -0.742) 2.201 1.886 ( 0.262 -0.742 0.420) 0.892 2.061 ( -2.119 0.368 0.409) 2.189 2.195 ( 2.597 -0.395 -1.434) 2.993 2.346 ( -3.207 -0.292 1.820) 3.699 2.730 ( -0.013 0.616 0.013) 0.616 2.738 ( -0.137 0.074 0.795) 0.810 2.857 ( -2.095 0.113 0.279) 2.117 2.873 ( -1.944 -0.204 -0.380) 1.991 2.955 ( 2.616 -0.102 -1.573) 3.054 3.174 ( -0.920 2.321 -0.409) 2.530 3.212 ( 1.246 -1.132 -0.544) 1.769 3.326 ( 2.081 -1.456 0.551) 2.599 3.493 ( -0.074 -2.415 0.407) 2.450 3.772 ( -0.497 2.879 -0.341) 2.942 3.818 ( 0.284 -2.113 -1.064) 2.383 4.008 ( 5.308 6.621 -2.141) 8.753 4.114 ( 3.371 -3.615 -0.988) 5.041 4.359 ( -2.990 -0.555 1.326) 3.318 5.513 ( 7.179 0.022 -7.283) 10.226 5.879 ( -5.387 0.035 4.477) 7.005 ======================= Grid point 156 (75/129) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -6.172 6.373 1.707) 9.035 0.785 ( -6.172 2.531 5.502) 8.647 0.971 ( -0.349 -0.056 0.567) 0.668 1.029 ( -0.826 2.316 -0.295) 2.477 1.154 ( 2.605 -0.414 -2.919) 3.934 1.244 ( 3.535 -3.480 -2.217) 5.434 1.382 ( -1.501 1.886 -0.878) 2.566 1.481 ( 3.573 -2.078 0.134) 4.135 1.554 ( 0.989 1.262 0.586) 1.707 1.654 ( -0.414 0.754 -0.477) 0.984 1.898 ( 0.118 -0.481 0.224) 0.543 2.020 ( -2.746 -0.934 -0.258) 2.912 2.240 ( 2.920 -0.694 -1.685) 3.442 2.316 ( -2.331 -1.878 1.779) 3.482 2.718 ( -0.640 0.757 -0.044) 0.992 2.739 ( 0.384 0.797 1.048) 1.371 2.821 ( -1.997 0.032 -0.254) 2.013 2.842 ( -1.927 -0.224 0.192) 1.950 2.990 ( 2.583 0.132 -2.873) 3.866 3.142 ( -0.235 1.351 -0.747) 1.562 3.227 ( -0.091 0.728 0.197) 0.760 3.382 ( 2.795 -1.602 -0.021) 3.222 3.517 ( -0.811 -3.684 0.329) 3.786 3.716 ( -1.873 2.866 0.156) 3.428 3.857 ( 2.672 -0.157 -1.643) 3.141 4.024 ( 4.398 5.772 -0.935) 7.317 4.188 ( 4.115 0.331 -3.359) 5.322 4.327 ( -2.637 -2.280 1.043) 3.639 5.614 ( 8.658 -0.190 -6.743) 10.975 5.798 ( -6.983 0.129 5.174) 8.692 ======================= Grid point 157 (76/129) ======================= q-point: (-0.38 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -5.790 6.956 1.323) 9.147 0.680 ( -5.153 4.512 7.270) 9.989 0.965 ( -0.504 5.571 -0.638) 5.630 1.004 ( 0.522 -0.825 0.386) 1.050 1.149 ( -0.194 3.433 -1.651) 3.815 1.297 ( -1.823 1.268 1.590) 2.731 1.357 ( 4.176 -2.831 -3.590) 6.192 1.519 ( 0.676 0.842 -0.024) 1.080 1.601 ( 2.254 -2.954 -0.013) 3.716 1.650 ( 0.638 0.298 -0.520) 0.875 1.894 ( -1.073 0.461 1.401) 1.824 2.001 ( -1.074 -3.819 -1.951) 4.421 2.278 ( 0.857 -1.505 -1.195) 2.104 2.320 ( -0.274 -2.817 0.984) 2.997 2.698 ( -0.699 1.159 0.141) 1.361 2.750 ( 1.012 0.883 1.378) 1.924 2.795 ( -0.404 0.306 -0.659) 0.831 2.814 ( -1.679 0.287 0.387) 1.747 3.008 ( 1.495 0.119 -3.758) 4.046 3.136 ( 1.080 0.754 -1.069) 1.696 3.197 ( -1.476 2.972 0.325) 3.334 3.436 ( 1.700 -1.600 -0.141) 2.339 3.535 ( -1.024 -4.239 0.168) 4.364 3.673 ( -0.626 2.546 0.331) 2.643 3.885 ( 2.914 1.897 -3.123) 4.673 4.037 ( 2.405 4.299 0.064) 4.927 4.200 ( 3.115 4.956 -6.419) 8.687 4.330 ( -1.520 -4.234 1.806) 4.848 5.695 ( -7.375 -0.006 4.774) 8.785 5.734 ( 7.961 -0.264 -4.836) 9.318 ======================= Grid point 158 (77/129) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -0.409 7.570 1.058) 7.655 0.626 ( -0.248 4.637 8.190) 9.415 0.849 ( -1.540 14.192 0.924) 14.306 1.033 ( 2.043 1.164 -0.818) 2.490 1.118 ( 0.216 -0.297 -0.027) 0.368 1.284 ( -1.500 -3.242 0.773) 3.655 1.434 ( 2.505 -2.950 -3.041) 4.922 1.510 ( -1.235 -0.257 -0.155) 1.271 1.631 ( 0.273 0.437 -0.362) 0.630 1.661 ( 0.539 -0.267 -0.490) 0.776 1.879 ( -0.529 0.964 2.106) 2.376 2.030 ( 0.358 -5.365 -2.778) 6.052 2.278 ( -2.029 -1.902 -0.350) 2.803 2.364 ( 1.646 -3.258 0.025) 3.651 2.681 ( 0.085 1.560 0.226) 1.579 2.743 ( -2.346 0.612 1.642) 2.928 2.793 ( 0.392 1.213 -0.201) 1.290 2.814 ( 3.391 0.902 -0.732) 3.584 3.002 ( 0.082 0.311 -3.363) 3.379 3.143 ( -0.893 3.079 -0.455) 3.238 3.150 ( 1.804 1.550 -0.858) 2.529 3.457 ( -0.703 -1.257 -0.011) 1.440 3.570 ( 0.531 -5.144 0.046) 5.172 3.650 ( 0.015 1.978 0.209) 1.989 3.881 ( 1.363 4.326 -4.355) 6.288 4.030 ( 1.881 4.013 -0.603) 4.473 4.156 ( 1.089 5.797 -6.627) 8.872 4.358 ( -0.874 -4.326 2.108) 4.891 5.590 ( -7.316 -0.188 4.078) 8.378 5.843 ( 6.594 -0.374 -3.255) 7.364 ======================= Grid point 159 (78/129) ======================= q-point: (-0.12 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 4.667 5.007 3.331) 7.612 0.679 ( 5.401 3.034 7.285) 9.563 0.733 ( 4.370 14.011 1.357) 14.739 1.048 ( 2.702 2.142 -1.769) 3.875 1.147 ( 1.382 -1.075 0.987) 2.010 1.292 ( -2.647 -5.339 -0.201) 5.963 1.444 ( -2.125 -1.152 -1.320) 2.754 1.487 ( -1.950 -0.719 -1.015) 2.313 1.600 ( -1.779 2.831 -0.933) 3.472 1.677 ( 0.712 -2.096 -0.461) 2.261 1.885 ( 1.124 1.017 1.916) 2.443 2.064 ( -0.306 -4.461 -2.225) 4.995 2.247 ( -2.753 -0.727 -0.655) 2.922 2.423 ( 1.152 -4.072 0.366) 4.247 2.677 ( 1.112 1.546 0.136) 1.910 2.695 ( -2.426 1.428 1.349) 3.122 2.803 ( 2.017 0.904 -0.319) 2.233 2.860 ( 3.283 1.303 -0.760) 3.613 2.980 ( -0.623 0.751 -2.399) 2.590 3.110 ( 0.797 3.369 -0.302) 3.475 3.170 ( 2.188 0.651 -1.402) 2.679 3.436 ( -2.595 -0.474 0.112) 2.641 3.633 ( -0.555 1.789 0.113) 1.876 3.646 ( 2.396 -5.881 -0.109) 6.351 3.818 ( -0.363 5.288 -3.700) 6.464 4.023 ( -0.189 1.173 -2.269) 2.562 4.093 ( 1.774 6.106 -4.945) 8.055 4.387 ( -1.158 -3.440 2.301) 4.297 5.502 ( -5.324 -0.583 2.026) 5.726 5.923 ( 3.903 -0.268 -1.492) 4.187 ======================= Grid point 163 (79/129) ======================= q-point: (-0.62 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -7.332 -0.000 0.764) 7.372 0.798 ( -4.009 -0.000 4.392) 5.946 0.967 ( -5.191 -0.000 2.201) 5.638 1.080 ( 1.006 0.000 -1.721) 1.993 1.144 ( 6.238 0.000 -2.346) 6.664 1.199 ( 4.984 0.000 -2.026) 5.380 1.390 ( -0.303 -0.000 -0.556) 0.633 1.452 ( 2.937 0.000 -1.066) 3.125 1.584 ( 0.922 0.000 0.841) 1.248 1.656 ( -2.275 -0.000 -0.086) 2.276 1.894 ( 0.794 0.000 -0.288) 0.845 2.013 ( -3.632 -0.000 0.112) 3.634 2.231 ( 2.516 0.000 -1.380) 2.869 2.299 ( -2.709 -0.000 1.541) 3.117 2.725 ( -0.613 -0.000 -0.103) 0.621 2.747 ( 0.427 0.000 1.225) 1.297 2.823 ( -1.965 -0.000 -0.036) 1.965 2.839 ( -1.730 -0.000 -0.281) 1.753 2.991 ( 2.626 0.000 -2.839) 3.867 3.156 ( -1.060 -0.000 -0.882) 1.379 3.234 ( 1.103 0.000 0.534) 1.225 3.367 ( 3.137 0.000 -0.166) 3.141 3.482 ( -0.469 -0.000 0.444) 0.646 3.748 ( -2.337 -0.000 -0.092) 2.338 3.848 ( 3.322 0.000 -0.755) 3.407 4.111 ( 1.303 0.000 0.537) 1.409 4.151 ( 6.555 0.000 -3.773) 7.563 4.312 ( -2.282 -0.000 -0.365) 2.311 5.613 ( 8.608 0.000 -6.880) 11.020 5.799 ( -6.954 -0.000 5.154) 8.656 ======================= Grid point 165 (80/129) ======================= q-point: (-0.50 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -6.288 2.918 0.753) 6.973 0.745 ( -3.323 2.709 4.166) 5.978 0.922 ( -2.482 -3.619 1.689) 4.702 1.071 ( 0.832 2.789 -1.516) 3.281 1.210 ( 3.560 2.432 -0.799) 4.385 1.297 ( 6.062 -1.375 -2.882) 6.851 1.373 ( -1.211 3.970 -1.143) 4.305 1.512 ( 3.199 -3.994 -0.485) 5.140 1.565 ( -1.509 1.780 0.913) 2.506 1.632 ( -1.677 -2.018 0.425) 2.658 1.901 ( 0.049 0.285 0.277) 0.401 1.960 ( -2.516 -0.969 -1.130) 2.923 2.245 ( -1.577 -1.467 1.023) 2.385 2.292 ( 1.374 -0.609 -0.966) 1.786 2.713 ( -0.544 0.468 0.162) 0.736 2.760 ( 0.243 0.253 1.500) 1.541 2.800 ( -0.268 0.157 -0.687) 0.754 2.817 ( -0.651 0.094 0.030) 0.658 3.010 ( 1.444 0.068 -3.745) 4.014 3.144 ( 0.265 0.183 -1.052) 1.100 3.242 ( 0.479 1.650 0.415) 1.767 3.414 ( 2.022 -0.685 -0.298) 2.156 3.479 ( -1.028 -1.876 0.347) 2.168 3.714 ( -0.881 1.610 0.369) 1.872 3.897 ( 3.076 -0.004 -1.586) 3.460 4.110 ( 0.921 3.489 0.670) 3.671 4.229 ( 2.506 -2.341 -2.099) 4.020 4.285 ( 0.062 0.413 -3.754) 3.777 5.695 ( -6.646 -0.026 3.956) 7.734 5.732 ( 7.230 -0.047 -4.378) 8.452 ======================= Grid point 166 (81/129) ======================= q-point: (-0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -1.260 4.950 0.891) 5.185 0.699 ( -0.154 4.027 4.662) 6.162 0.953 ( 0.143 -4.603 0.320) 4.616 1.054 ( 1.403 3.317 -1.067) 3.757 1.214 ( 1.935 8.655 -0.817) 8.906 1.257 ( -5.066 2.074 0.888) 5.546 1.391 ( 3.911 -1.737 -3.266) 5.384 1.523 ( -1.207 1.552 0.607) 2.058 1.610 ( 1.840 -4.456 -0.804) 4.887 1.627 ( -1.748 -2.457 0.576) 3.070 1.894 ( -0.431 0.769 1.561) 1.792 1.952 ( 0.486 -2.870 -2.550) 3.870 2.237 ( -1.961 -2.341 1.326) 3.330 2.321 ( 1.288 -1.547 -1.294) 2.393 2.704 ( 0.119 0.936 0.243) 0.974 2.751 ( -1.861 0.300 1.614) 2.481 2.804 ( 1.043 0.367 -0.886) 1.417 2.829 ( 2.616 0.528 -0.083) 2.670 3.006 ( 0.316 0.100 -3.754) 3.769 3.149 ( 0.908 0.031 -1.308) 1.592 3.226 ( 0.610 4.010 0.148) 4.059 3.435 ( -0.381 -1.040 -0.115) 1.114 3.492 ( -0.210 -3.575 0.177) 3.585 3.693 ( 0.230 2.459 0.389) 2.500 3.927 ( 2.174 1.349 -2.744) 3.751 4.090 ( -0.439 2.816 0.559) 2.904 4.244 ( 1.300 3.601 -7.891) 8.771 4.278 ( -0.904 -4.300 1.673) 4.702 5.588 ( -7.564 -0.127 3.757) 8.447 5.839 ( 6.785 -0.144 -3.420) 7.600 ======================= Grid point 167 (82/129) ======================= q-point: (-0.25 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 2.758 5.534 2.484) 6.664 0.733 ( 5.248 2.908 4.092) 7.262 0.941 ( -0.159 7.296 -0.379) 7.308 1.078 ( 2.189 -2.209 -0.014) 3.110 1.143 ( 1.009 4.373 -0.356) 4.502 1.213 ( -3.536 -2.032 0.343) 4.093 1.430 ( 1.175 -0.444 -2.389) 2.699 1.488 ( -1.963 0.981 0.107) 2.197 1.622 ( -2.480 -4.322 -0.053) 4.983 1.635 ( -0.226 0.668 -0.728) 1.014 1.899 ( 0.960 0.587 1.362) 1.766 1.988 ( 1.090 -3.610 -1.933) 4.237 2.228 ( -1.715 -1.317 0.241) 2.176 2.354 ( 0.711 -3.336 -0.206) 3.417 2.703 ( 0.784 1.210 0.137) 1.448 2.715 ( -2.361 0.843 1.526) 2.935 2.821 ( 2.188 1.077 -0.733) 2.546 2.875 ( 3.028 0.258 -0.531) 3.085 2.988 ( -0.289 0.302 -3.060) 3.089 3.154 ( 0.786 0.984 -1.455) 1.924 3.206 ( 1.526 3.728 -0.011) 4.028 3.421 ( -2.295 -1.085 0.179) 2.545 3.541 ( 1.324 -5.337 -0.010) 5.498 3.678 ( 0.618 3.004 0.277) 3.079 3.910 ( 0.147 4.154 -3.451) 5.402 4.045 ( -2.698 1.457 -0.952) 3.210 4.179 ( -0.686 3.255 -5.994) 6.855 4.321 ( 0.426 -3.600 2.310) 4.299 5.492 ( -5.664 -0.535 1.659) 5.926 5.920 ( 4.164 -0.077 -1.546) 4.442 ======================= Grid point 168 (83/129) ======================= q-point: (-0.12 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 4.508 3.464 4.014) 6.960 0.776 ( 0.820 5.683 3.398) 6.672 0.952 ( 8.676 2.418 0.252) 9.010 1.107 ( 1.651 3.245 -1.365) 3.888 1.168 ( -3.146 -7.204 0.001) 7.861 1.181 ( 1.605 -0.187 0.471) 1.683 1.419 ( -0.940 2.672 -0.001) 2.833 1.438 ( -2.768 0.092 -1.554) 3.175 1.581 ( -3.281 1.340 -0.867) 3.649 1.642 ( -0.197 -3.685 -0.772) 3.770 1.919 ( 0.983 0.610 1.372) 1.795 2.023 ( 0.473 -2.923 -0.989) 3.122 2.204 ( -1.619 0.058 -0.640) 1.741 2.394 ( -0.373 -3.880 0.800) 3.979 2.681 ( -1.101 0.657 1.320) 1.840 2.714 ( 1.515 1.081 -0.083) 1.863 2.848 ( 2.381 1.039 -0.454) 2.637 2.909 ( 1.878 0.798 -0.312) 2.064 2.963 ( -0.794 0.725 -2.221) 2.468 3.143 ( 0.592 2.298 -1.114) 2.622 3.213 ( 1.646 1.138 -0.565) 2.080 3.386 ( -2.718 -0.515 0.421) 2.798 3.620 ( 1.425 -5.107 -0.100) 5.303 3.661 ( 0.705 2.219 0.056) 2.329 3.833 ( -1.622 5.392 -2.786) 6.282 3.982 ( -2.995 -0.187 -2.107) 3.667 4.121 ( -1.120 1.899 -3.089) 3.795 4.370 ( 1.087 -1.987 2.149) 3.122 5.431 ( -2.482 -0.912 -1.105) 2.865 5.962 ( 1.292 0.041 0.145) 1.301 ======================= Grid point 173 (84/129) ======================= q-point: ( 0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -1.012 0.000 0.622) 1.187 0.753 ( 0.159 0.000 2.435) 2.440 0.879 ( -0.602 0.000 1.793) 1.892 1.085 ( 0.735 0.000 -1.226) 1.430 1.239 ( -1.744 0.000 -0.726) 1.889 1.363 ( 3.508 -0.000 -2.842) 4.515 1.406 ( 0.399 0.000 -1.224) 1.287 1.506 ( -0.443 0.000 -0.973) 1.070 1.551 ( -0.387 0.000 1.306) 1.362 1.595 ( -1.077 0.000 1.150) 1.576 1.902 ( -0.513 0.000 1.293) 1.391 1.930 ( 0.544 0.000 -2.321) 2.384 2.213 ( -1.700 0.000 1.860) 2.520 2.307 ( 1.068 0.000 -1.681) 1.992 2.712 ( 0.090 0.000 0.244) 0.260 2.753 ( -1.758 0.000 1.589) 2.370 2.808 ( 1.737 -0.000 -1.097) 2.054 2.833 ( 1.902 0.000 0.039) 1.903 3.006 ( 0.336 0.000 -3.805) 3.820 3.149 ( 0.874 0.000 -1.104) 1.409 3.266 ( 1.076 0.000 -0.170) 1.089 3.425 ( -0.267 0.000 -0.236) 0.356 3.456 ( -0.663 0.000 0.408) 0.779 3.719 ( 0.335 0.000 0.376) 0.503 3.938 ( 2.581 0.000 -2.083) 3.317 4.121 ( -1.967 0.000 1.754) 2.635 4.231 ( 0.063 -0.000 1.010) 1.012 4.276 ( 0.923 0.000 -8.173) 8.225 5.586 ( -7.658 0.000 3.619) 8.470 5.838 ( 6.864 0.000 -3.475) 7.693 ======================= Grid point 175 (85/129) ======================= q-point: (-0.38 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 3.459 3.587 1.374) 5.169 0.773 ( 3.283 1.638 1.779) 4.078 0.928 ( 2.566 -4.573 0.411) 5.260 1.084 ( -0.178 2.599 -0.682) 2.693 1.167 ( -5.760 -1.531 0.195) 5.964 1.305 ( -1.913 9.118 -0.488) 9.329 1.420 ( 1.897 -1.803 -2.768) 3.810 1.491 ( -3.625 -3.065 0.089) 4.747 1.561 ( 0.032 0.846 0.332) 0.910 1.617 ( 1.047 -2.526 0.059) 2.735 1.906 ( 0.678 0.149 0.426) 0.814 1.949 ( 2.039 -0.864 -0.985) 2.424 2.207 ( -0.692 -0.839 1.213) 1.630 2.315 ( 0.244 -1.104 -1.026) 1.527 2.718 ( 0.680 0.439 0.162) 0.826 2.725 ( -2.284 0.252 1.541) 2.767 2.839 ( 2.796 0.890 -1.035) 3.111 2.871 ( 2.439 -0.550 -0.373) 2.528 2.992 ( -0.101 0.082 -3.202) 3.205 3.161 ( 1.295 0.132 -1.251) 1.806 3.268 ( 0.511 2.414 -0.464) 2.511 3.405 ( -2.199 -0.529 0.111) 2.264 3.467 ( 0.432 -2.597 0.389) 2.662 3.726 ( 1.226 1.801 0.238) 2.191 3.954 ( 1.052 0.975 -2.951) 3.281 4.074 ( -3.698 1.538 1.658) 4.334 4.194 ( -4.024 -1.098 -4.806) 6.363 4.285 ( 2.729 -0.319 -0.600) 2.813 5.485 ( -5.869 -0.206 1.417) 6.041 5.919 ( 4.325 0.008 -1.616) 4.617 ======================= Grid point 176 (86/129) ======================= q-point: (-0.25 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 3.491 5.291 2.808) 6.933 0.852 ( 4.668 1.022 1.136) 4.912 0.976 ( -2.428 2.284 0.049) 3.334 1.039 ( 1.050 -5.686 0.351) 5.793 1.152 ( -0.805 -2.216 -0.299) 2.376 1.202 ( -0.862 5.704 -0.227) 5.774 1.442 ( -1.811 0.249 -1.850) 2.600 1.456 ( -0.674 -2.690 -0.115) 2.776 1.543 ( -1.913 0.255 0.112) 1.933 1.634 ( 0.195 0.245 -0.857) 0.913 1.923 ( 1.038 -0.126 0.295) 1.087 1.990 ( 1.836 -0.839 -0.036) 2.019 2.203 ( -0.718 -0.122 -0.251) 0.771 2.334 ( 0.305 -2.586 0.459) 2.644 2.691 ( -1.913 0.449 1.597) 2.532 2.729 ( 1.172 0.625 -0.106) 1.333 2.870 ( 2.531 1.389 -0.745) 2.982 2.912 ( 2.061 -0.479 -0.639) 2.210 2.973 ( -0.487 0.385 -2.352) 2.433 3.174 ( 1.426 1.140 -1.358) 2.275 3.242 ( -0.681 1.992 -0.575) 2.182 3.372 ( -2.463 -0.849 0.656) 2.687 3.516 ( 1.135 -5.036 0.212) 5.166 3.725 ( 1.282 3.550 0.087) 3.775 3.925 ( -0.990 2.930 -3.327) 4.542 3.983 ( -5.108 1.918 -0.466) 5.476 4.124 ( -3.421 -1.667 -1.895) 4.251 4.341 ( 2.777 -1.104 0.877) 3.114 5.418 ( -2.540 -0.580 -1.364) 2.941 5.963 ( 1.434 0.096 0.105) 1.441 ======================= Grid point 177 (87/129) ======================= q-point: (-0.12 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 1.346 2.696 3.673) 4.751 0.844 ( 1.015 5.222 0.368) 5.333 0.981 ( -4.006 -6.919 1.983) 8.238 1.073 ( -0.566 0.623 -0.945) 1.266 1.174 ( 5.557 -2.424 -0.717) 6.104 1.227 ( 3.172 -1.080 -0.033) 3.351 1.378 ( -3.914 0.720 -0.443) 4.005 1.461 ( 0.220 4.806 -1.087) 4.933 1.500 ( -3.399 -3.537 -0.065) 4.906 1.630 ( 0.664 0.350 -1.162) 1.383 1.938 ( 0.277 0.233 1.004) 1.067 2.021 ( 1.233 -0.711 0.072) 1.425 2.187 ( -0.375 0.493 -1.010) 1.185 2.363 ( -0.383 -2.348 1.458) 2.790 2.677 ( -0.472 -0.254 1.546) 1.636 2.742 ( 1.094 0.596 -0.411) 1.312 2.888 ( 1.406 1.264 -0.581) 1.978 2.933 ( 0.085 0.421 0.124) 0.447 2.951 ( 0.016 0.657 -1.749) 1.868 3.164 ( -0.159 2.209 -0.988) 2.425 3.219 ( -0.445 0.031 -1.055) 1.146 3.354 ( -0.935 -0.700 1.050) 1.571 3.590 ( 1.258 -6.742 -0.084) 6.859 3.701 ( 0.058 4.699 0.175) 4.703 3.838 ( -2.130 5.224 -2.136) 6.032 3.912 ( -3.050 -1.596 -2.024) 3.993 4.093 ( -1.181 -0.947 -0.358) 1.555 4.392 ( 1.600 -0.585 1.329) 2.161 5.402 ( 1.393 -0.755 -4.085) 4.382 5.967 ( -1.271 0.148 1.683) 2.114 ======================= Grid point 183 (88/129) ======================= q-point: ( 0.62 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 4.591 0.000 1.505) 4.832 0.824 ( 1.696 0.000 1.414) 2.208 0.988 ( 6.351 0.000 -0.229) 6.356 1.026 ( -7.784 -0.000 -0.581) 7.806 1.113 ( 0.350 0.000 0.139) 0.377 1.300 ( -5.588 -0.000 0.906) 5.661 1.363 ( -1.049 -0.000 -0.086) 1.052 1.445 ( -1.057 -0.000 -2.180) 2.423 1.583 ( -0.594 -0.000 -0.772) 0.974 1.623 ( 1.887 0.000 -0.104) 1.890 1.921 ( 1.032 0.000 -0.336) 1.086 1.985 ( 2.348 0.000 0.570) 2.416 2.202 ( -0.221 -0.000 0.032) 0.223 2.311 ( 0.427 0.000 0.197) 0.470 2.696 ( -2.126 -0.000 1.634) 2.681 2.735 ( 1.044 0.000 -0.056) 1.045 2.892 ( 3.062 0.000 -0.852) 3.178 2.898 ( 1.746 0.000 -0.737) 1.896 2.976 ( -0.333 -0.000 -2.405) 2.428 3.184 ( 2.119 0.000 -1.229) 2.450 3.264 ( -1.917 -0.000 -1.012) 2.168 3.364 ( -2.443 -0.000 0.770) 2.562 3.466 ( 0.591 0.000 0.556) 0.811 3.762 ( 1.987 0.000 -0.246) 2.002 3.930 ( -3.093 -0.000 -2.273) 3.838 4.045 ( -1.780 -0.000 2.001) 2.678 4.079 ( -5.833 -0.000 -3.855) 6.992 4.332 ( 3.102 0.000 0.141) 3.105 5.412 ( -2.565 -0.000 -1.461) 2.952 5.964 ( 1.479 0.000 0.078) 1.481 ======================= Grid point 185 (89/129) ======================= q-point: (-0.25 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -0.542 5.623 2.746) 6.281 0.853 ( -3.885 -7.018 2.238) 8.328 0.934 ( 1.415 3.716 -2.617) 4.760 1.069 ( 0.378 -0.653 -0.332) 0.824 1.140 ( 4.104 -1.358 0.763) 4.389 1.214 ( -2.676 -0.060 1.757) 3.202 1.379 ( -0.528 -0.885 -0.236) 1.058 1.420 ( -0.777 -2.500 -1.522) 3.028 1.535 ( -3.248 2.178 -1.326) 4.130 1.651 ( 1.771 0.946 -0.677) 2.119 1.936 ( 0.686 -0.204 0.170) 0.735 2.021 ( 1.677 0.268 0.770) 1.865 2.193 ( -0.293 0.162 -1.142) 1.190 2.332 ( 0.893 -0.960 1.524) 2.011 2.675 ( -1.204 -0.046 1.791) 2.158 2.750 ( 0.910 0.215 -0.380) 1.009 2.911 ( 1.166 1.089 -0.664) 1.728 2.933 ( 1.237 -0.381 -0.254) 1.319 2.958 ( -0.334 0.234 -1.934) 1.977 3.203 ( -1.778 1.709 -1.080) 2.692 3.222 ( 1.297 0.250 -1.177) 1.769 3.335 ( -1.868 -0.968 1.216) 2.430 3.492 ( 0.518 -3.417 0.382) 3.477 3.775 ( 1.032 3.353 -0.465) 3.539 3.866 ( -3.756 -2.328 -1.339) 4.617 3.946 ( -3.750 5.287 -1.886) 6.751 4.054 ( -1.599 -3.262 0.065) 3.633 4.384 ( 2.566 -0.238 1.005) 2.766 5.392 ( 1.557 -0.295 -4.163) 4.455 5.969 ( -1.272 0.073 1.641) 2.078 ======================= Grid point 186 (90/129) ======================= q-point: (-0.12 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -6.098 0.711 3.551) 7.092 0.840 ( -5.517 -4.646 0.734) 7.250 0.933 ( 2.803 4.320 0.683) 5.195 1.072 ( 1.283 -0.670 -0.834) 1.670 1.221 ( 0.067 -4.741 1.482) 4.968 1.252 ( 4.209 -1.628 0.506) 4.541 1.331 ( -2.647 1.756 -0.680) 3.248 1.426 ( -4.388 1.289 -1.120) 4.708 1.471 ( 1.293 -2.616 -1.268) 3.181 1.658 ( 1.449 2.499 -0.883) 3.021 1.943 ( -0.419 0.038 0.968) 1.056 2.046 ( 1.666 0.548 0.272) 1.775 2.188 ( 0.756 0.122 -1.474) 1.660 2.360 ( 0.564 -0.420 2.073) 2.189 2.675 ( -0.130 -0.619 1.589) 1.710 2.754 ( 0.076 0.309 -0.706) 0.774 2.906 ( -0.540 1.022 -0.138) 1.164 2.923 ( -1.383 1.037 -0.181) 1.738 2.955 ( 0.446 -0.023 -1.233) 1.311 3.146 ( -2.251 0.547 -1.036) 2.538 3.234 ( 1.162 2.092 -0.618) 2.471 3.344 ( 0.641 -2.040 0.730) 2.259 3.548 ( 0.980 -6.172 0.064) 6.249 3.735 ( -1.125 3.922 0.218) 4.086 3.833 ( -1.696 3.225 -1.706) 4.023 3.861 ( -0.440 -0.188 -1.980) 2.037 4.059 ( -0.965 -3.212 -0.206) 3.360 4.421 ( 1.034 0.519 1.552) 1.936 5.430 ( 5.292 -0.331 -6.039) 8.036 5.938 ( -3.658 0.077 3.113) 4.804 ======================= Grid point 193 (91/129) ======================= q-point: (-0.25 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -9.343 -0.000 4.241) 10.261 0.788 ( -3.586 -0.000 0.183) 3.591 0.982 ( 3.139 0.000 -3.745) 4.886 1.072 ( 1.985 0.000 2.163) 2.936 1.155 ( -3.990 -0.000 3.818) 5.522 1.239 ( 6.618 0.000 0.366) 6.628 1.356 ( -4.205 -0.000 -0.534) 4.239 1.424 ( 3.660 0.000 -0.997) 3.793 1.453 ( -5.664 -0.000 -2.390) 6.148 1.684 ( 1.779 0.000 -0.780) 1.942 1.941 ( -0.247 -0.000 0.698) 0.740 2.053 ( 1.807 0.000 0.470) 1.867 2.188 ( 0.572 0.000 -1.571) 1.672 2.356 ( 1.301 0.000 2.134) 2.499 2.669 ( -0.355 -0.000 1.740) 1.775 2.756 ( 0.034 0.000 -0.694) 0.695 2.915 ( -0.915 -0.000 0.055) 0.917 2.940 ( -0.720 -0.000 0.115) 0.729 2.949 ( 0.353 0.000 -2.021) 2.052 3.152 ( -2.624 -0.000 -1.282) 2.920 3.283 ( 4.341 0.000 -1.074) 4.472 3.294 ( -2.845 -0.000 1.317) 3.135 3.489 ( 1.047 0.000 0.430) 1.132 3.778 ( -3.701 -0.000 -0.184) 3.706 3.823 ( 2.521 0.000 -1.038) 2.726 3.908 ( -2.582 -0.000 -2.573) 3.645 4.013 ( -1.821 -0.000 0.037) 1.822 4.425 ( 1.560 0.000 1.647) 2.268 5.426 ( 5.450 0.000 -6.003) 8.108 5.939 ( -3.695 -0.000 3.087) 4.815 ======================= Grid point 194 (92/129) ======================= q-point: (-0.12 -0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -7.582 -0.214 5.308) 9.258 0.694 ( -8.816 -3.041 1.999) 9.537 1.000 ( 1.693 1.163 -2.586) 3.302 1.079 ( -5.706 0.639 3.463) 6.706 1.173 ( 2.181 -4.512 2.527) 5.613 1.243 ( -6.242 1.846 0.272) 6.515 1.351 ( 5.390 -0.646 0.029) 5.429 1.382 ( 0.501 1.160 -3.371) 3.600 1.485 ( 3.095 -2.136 -1.349) 3.995 1.696 ( 0.831 1.776 -0.697) 2.081 1.933 ( -1.460 -0.120 1.375) 2.009 2.084 ( 2.191 0.764 -0.373) 2.350 2.204 ( 2.155 -0.166 -1.600) 2.689 2.387 ( 1.210 0.422 2.185) 2.533 2.675 ( -0.224 -0.408 1.241) 1.325 2.744 ( -1.008 0.119 -0.892) 1.352 2.888 ( -2.007 0.460 0.060) 2.060 2.902 ( -2.950 1.109 0.404) 3.177 2.958 ( 1.471 -0.428 -2.064) 2.570 3.117 ( -0.905 0.231 -1.298) 1.599 3.243 ( -2.476 1.053 0.587) 2.754 3.361 ( 3.792 -1.724 -0.704) 4.225 3.532 ( 2.124 -2.964 0.367) 3.665 3.727 ( -1.795 0.842 -0.023) 1.983 3.835 ( -2.406 4.318 -2.478) 5.529 3.875 ( 3.850 -0.275 -1.159) 4.030 3.996 ( -2.298 -4.475 -0.665) 5.074 4.443 ( -0.080 0.701 1.808) 1.941 5.512 ( 8.071 0.003 -6.557) 10.399 5.877 ( -5.678 -0.000 4.380) 7.171 ======================= Grid point 202 (93/129) ======================= q-point: (-0.12 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -7.178 -0.000 7.152) 10.133 0.524 ( -10.602 -0.000 2.770) 10.958 0.885 ( -16.513 -0.000 7.092) 17.972 0.999 ( -0.086 -0.000 -2.946) 2.947 1.184 ( -2.787 -0.000 1.599) 3.213 1.249 ( 5.322 0.000 0.349) 5.333 1.415 ( 4.479 0.000 -4.188) 6.132 1.440 ( 4.951 0.000 0.243) 4.957 1.521 ( 3.318 0.000 -1.206) 3.530 1.701 ( -0.954 -0.000 -0.361) 1.020 1.906 ( -2.482 -0.000 1.953) 3.159 2.123 ( 2.336 0.000 -1.405) 2.726 2.243 ( 3.499 0.000 -1.606) 3.850 2.417 ( 0.847 0.000 1.878) 2.060 2.668 ( -0.997 -0.000 0.816) 1.288 2.720 ( -1.154 -0.000 -0.794) 1.401 2.848 ( -4.225 -0.000 0.864) 4.313 2.856 ( -1.943 -0.000 -0.658) 2.051 2.983 ( 2.943 0.000 -3.069) 4.252 3.106 ( 0.032 0.000 -1.435) 1.436 3.194 ( -3.433 -0.000 -0.253) 3.442 3.415 ( 3.559 0.000 -0.577) 3.606 3.562 ( 2.322 0.000 0.526) 2.381 3.707 ( -0.953 -0.000 -0.142) 0.964 3.794 ( -3.587 -0.000 -2.029) 4.121 3.917 ( -3.215 -0.000 -0.626) 3.276 3.954 ( 5.418 0.000 -1.245) 5.559 4.445 ( -0.965 -0.000 1.742) 1.991 5.627 ( 9.028 0.000 -5.853) 10.759 5.793 ( -7.101 -0.000 5.266) 8.840 ======================= Grid point 203 (94/129) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( 1.669 0.000 1.329) 2.133 0.374 ( -0.631 -0.000 2.124) 2.216 0.813 ( -2.883 -0.000 5.419) 6.138 0.945 ( 1.721 0.000 -1.678) 2.404 1.203 ( -0.619 -0.000 2.035) 2.127 1.323 ( 0.772 0.000 -0.845) 1.144 1.447 ( 1.456 0.000 -2.685) 3.055 1.547 ( -0.153 -0.000 0.048) 0.160 1.609 ( -4.008 -0.000 1.088) 4.153 1.634 ( 3.928 0.000 -1.026) 4.059 1.889 ( -0.560 -0.000 1.223) 1.345 2.113 ( 0.090 0.000 -1.167) 1.170 2.286 ( -0.538 -0.000 -0.516) 0.746 2.457 ( 0.890 0.000 0.201) 0.913 2.649 ( -0.086 -0.000 0.286) 0.299 2.716 ( -0.939 -0.000 0.038) 0.940 2.756 ( 0.227 0.000 0.538) 0.584 2.793 ( 0.388 0.000 -0.489) 0.624 2.950 ( 0.123 0.000 -1.568) 1.573 3.057 ( -0.718 -0.000 0.196) 0.744 3.120 ( 0.557 0.000 -0.720) 0.910 3.469 ( -0.468 -0.000 0.157) 0.493 3.610 ( 0.252 0.000 -0.061) 0.259 3.683 ( -0.366 -0.000 0.064) 0.371 3.777 ( 1.849 0.000 -0.097) 1.851 3.841 ( 0.480 0.000 -0.550) 0.730 4.001 ( -0.037 -0.000 -1.367) 1.367 4.468 ( -0.124 -0.000 0.692) 0.703 5.687 ( -7.938 -0.000 4.827) 9.291 5.784 ( 7.666 0.000 -4.186) 8.734 ======================= Grid point 204 (95/129) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 10.074 0.207 0.549) 10.091 0.516 ( 11.578 -10.162 0.018) 15.405 0.797 ( -0.747 -0.165 4.992) 5.050 0.990 ( 3.671 -0.552 -1.572) 4.032 1.199 ( 0.066 1.344 1.526) 2.035 1.325 ( -0.449 0.437 -1.200) 1.354 1.427 ( -1.277 1.340 -3.012) 3.535 1.499 ( -4.828 0.388 0.871) 4.921 1.552 ( -3.368 -1.598 0.345) 3.744 1.689 ( 2.816 1.096 -1.013) 3.187 1.901 ( 0.830 -0.626 1.198) 1.587 2.095 ( -0.583 1.940 -0.674) 2.135 2.247 ( -3.276 0.096 0.262) 3.288 2.475 ( 1.612 1.717 -0.808) 2.490 2.664 ( 1.324 -0.404 0.268) 1.410 2.689 ( -1.854 -1.297 0.919) 2.442 2.795 ( 2.691 0.162 0.191) 2.703 2.820 ( 2.915 -0.865 -0.868) 3.162 2.938 ( -0.908 -0.153 -1.009) 1.366 3.070 ( 0.817 -1.244 0.602) 1.605 3.138 ( 2.219 -0.302 -0.778) 2.371 3.442 ( -2.929 -0.262 0.552) 2.992 3.607 ( -1.122 -0.799 -0.096) 1.381 3.688 ( -0.081 -1.516 0.391) 1.568 3.775 ( 3.146 6.231 -2.319) 7.356 3.909 ( 3.183 -6.138 -1.829) 7.152 3.984 ( -1.810 -0.761 -0.726) 2.094 4.457 ( -0.821 1.081 0.812) 1.582 5.572 ( -8.038 0.369 4.015) 8.993 5.878 ( 5.829 0.144 -3.504) 6.803 ======================= Grid point 205 (96/129) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 7.600 -1.159 0.666) 7.716 0.720 ( 2.744 -5.440 -0.633) 6.126 0.904 ( 8.805 -3.857 2.109) 9.842 1.058 ( 5.447 0.203 -0.960) 5.535 1.202 ( 1.445 1.511 0.509) 2.152 1.264 ( -4.084 3.348 -0.435) 5.299 1.380 ( -1.683 -0.017 -2.175) 2.750 1.425 ( -4.791 -0.652 0.744) 4.892 1.520 ( -2.915 -3.076 0.005) 4.238 1.691 ( 0.327 3.056 -1.009) 3.235 1.928 ( 0.814 -0.816 0.877) 1.448 2.064 ( -0.218 2.560 -0.120) 2.572 2.197 ( -2.734 -0.211 0.365) 2.766 2.460 ( -0.502 2.591 -0.559) 2.698 2.687 ( 0.584 -0.658 0.750) 1.157 2.701 ( 1.452 -0.730 0.226) 1.641 2.835 ( 2.511 0.597 -0.053) 2.582 2.876 ( 2.871 -0.891 -1.077) 3.193 2.922 ( -0.776 -0.879 -0.451) 1.256 3.094 ( 0.580 -1.316 -0.256) 1.461 3.191 ( 3.131 -0.530 -0.036) 3.176 3.393 ( -3.476 -0.755 0.689) 3.623 3.594 ( -2.078 -2.839 0.232) 3.526 3.703 ( 0.769 0.095 -0.031) 0.775 3.763 ( 2.443 4.450 -2.204) 5.534 3.943 ( -2.921 -0.362 -1.367) 3.245 4.004 ( 2.483 -5.174 -1.724) 5.992 4.441 ( -0.201 1.476 1.318) 1.989 5.459 ( -6.486 0.827 2.048) 6.851 5.942 ( 3.524 0.016 -2.122) 4.113 ======================= Grid point 206 (97/129) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 5.304 -0.547 0.323) 5.342 0.779 ( 0.992 -2.986 0.111) 3.149 1.022 ( 0.679 -3.139 -0.778) 3.304 1.102 ( -0.837 4.887 -0.590) 4.993 1.216 ( 4.874 3.296 -0.486) 5.904 1.232 ( 2.437 -0.134 0.923) 2.610 1.355 ( -2.593 -0.766 -1.109) 2.922 1.371 ( -2.071 -4.277 0.859) 4.829 1.503 ( -2.517 -2.498 0.098) 3.548 1.650 ( -0.380 3.922 -1.001) 4.066 1.946 ( 0.039 -0.814 0.730) 1.094 2.046 ( 0.498 1.914 0.045) 1.978 2.169 ( -1.218 -0.476 0.089) 1.311 2.422 ( -1.118 2.073 0.067) 2.356 2.707 ( 0.737 -0.056 0.981) 1.228 2.728 ( 1.084 -0.305 -0.186) 1.141 2.860 ( 1.185 0.280 -0.564) 1.342 2.917 ( 1.958 -0.384 -0.955) 2.212 2.924 ( -0.277 -0.815 0.263) 0.900 3.114 ( 0.837 -1.262 -0.649) 1.648 3.215 ( -0.333 0.987 -0.052) 1.043 3.366 ( -1.091 -1.372 0.806) 1.929 3.602 ( -1.378 -5.338 0.572) 5.543 3.703 ( 1.667 4.263 -0.866) 4.658 3.761 ( 0.981 0.867 -0.953) 1.620 3.882 ( -3.223 0.057 -1.804) 3.694 4.069 ( 1.668 -2.853 -0.451) 3.336 4.435 ( 0.031 1.195 1.154) 1.661 5.374 ( -2.996 0.770 -0.261) 3.104 5.975 ( 1.160 -0.076 -0.566) 1.293 ======================= Grid point 207 (98/129) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -1.697 1.723 2.476) 3.461 0.823 ( 2.740 -0.507 -2.764) 3.925 0.993 ( -2.953 0.806 2.395) 3.886 1.068 ( 0.285 0.328 -0.198) 0.478 1.242 ( -1.419 -0.503 0.189) 1.518 1.268 ( 1.794 -0.406 -1.186) 2.189 1.328 ( -0.123 0.753 -0.128) 0.773 1.395 ( 0.116 -0.252 0.332) 0.433 1.494 ( 0.235 -0.609 0.014) 0.652 1.619 ( 0.139 0.915 -0.696) 1.158 1.951 ( -0.504 -0.742 0.640) 1.102 2.045 ( 0.555 0.497 -0.174) 0.765 2.165 ( 0.416 -0.202 -0.481) 0.667 2.398 ( -0.435 0.378 0.761) 0.955 2.717 ( 0.047 0.389 1.155) 1.220 2.737 ( 0.002 -0.017 -0.404) 0.404 2.869 ( 0.151 -0.476 -0.970) 1.091 2.919 ( -1.096 -0.295 0.701) 1.334 2.937 ( 0.379 -0.209 -0.516) 0.673 3.129 ( -0.224 0.043 -0.389) 0.451 3.198 ( 0.372 -0.237 -0.476) 0.649 3.372 ( 0.065 -0.277 0.466) 0.546 3.636 ( -0.275 -2.891 0.372) 2.928 3.679 ( 0.402 3.266 -0.520) 3.331 3.765 ( 0.048 -0.103 -0.565) 0.576 3.841 ( -0.213 0.171 -1.198) 1.229 4.098 ( 0.343 0.469 0.032) 0.582 4.432 ( -0.162 -0.323 0.704) 0.792 5.353 ( 1.797 0.215 -2.315) 2.938 5.976 ( -1.212 -0.024 1.008) 1.576 ======================= Grid point 208 (99/129) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -5.130 2.839 3.153) 6.657 0.796 ( -2.414 4.519 -1.056) 5.231 0.993 ( 0.365 0.559 2.516) 2.603 1.080 ( -1.203 -2.841 0.918) 3.219 1.203 ( -4.785 -2.880 0.449) 5.603 1.269 ( -1.241 -1.667 -2.430) 3.198 1.326 ( 0.345 3.287 1.867) 3.796 1.388 ( 3.263 3.133 -0.611) 4.565 1.512 ( 2.886 2.583 -0.833) 3.962 1.639 ( 0.588 -3.372 0.104) 3.425 1.948 ( -0.799 -0.338 0.448) 0.976 2.054 ( 0.390 -1.237 -0.619) 1.438 2.180 ( 1.918 0.255 -1.067) 2.210 2.409 ( 0.365 -1.420 1.377) 2.011 2.712 ( -0.777 0.586 0.998) 1.394 2.726 ( -0.797 0.270 -0.593) 1.029 2.863 ( -1.251 -1.142 -0.758) 1.855 2.896 ( -2.285 -0.126 0.925) 2.468 2.935 ( 0.144 0.394 -0.881) 0.975 3.109 ( -0.770 0.896 -0.080) 1.184 3.220 ( 0.317 -1.060 -0.444) 1.193 3.378 ( 1.351 0.788 -0.376) 1.609 3.615 ( 1.160 5.834 -0.681) 5.987 3.686 ( -1.796 -5.041 0.748) 5.404 3.757 ( -0.701 -0.002 -0.498) 0.861 3.867 ( 3.556 0.261 -0.181) 3.570 4.068 ( -1.416 3.897 -0.309) 4.157 4.442 ( -0.367 -1.770 0.453) 1.864 5.408 ( 6.248 -0.396 -3.724) 7.285 5.945 ( -3.527 0.055 2.547) 4.351 ======================= Grid point 209 (100/129) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -7.676 1.758 3.146) 8.480 0.686 ( -4.943 7.325 2.617) 9.216 0.946 ( -5.624 3.084 -2.260) 6.801 1.018 ( -6.800 -1.118 3.442) 7.703 1.187 ( -1.244 -3.135 1.432) 3.664 1.277 ( 2.920 0.391 -0.584) 3.004 1.338 ( 2.194 -0.981 0.665) 2.493 1.444 ( 4.790 0.810 -0.813) 4.926 1.531 ( 3.344 3.253 -1.063) 4.785 1.675 ( -0.406 -2.981 0.548) 3.058 1.933 ( -1.332 0.277 0.427) 1.426 2.075 ( 0.674 -2.352 -1.129) 2.695 2.215 ( 3.160 0.202 -1.375) 3.452 2.437 ( 0.063 -2.061 1.686) 2.664 2.691 ( -1.430 0.632 0.554) 1.659 2.707 ( -0.353 0.730 -0.677) 1.056 2.836 ( -2.796 -0.966 -0.151) 2.962 2.860 ( -2.677 0.187 0.570) 2.744 2.934 ( 1.253 0.603 -1.765) 2.247 3.094 ( -0.177 0.730 -0.222) 0.783 3.194 ( -3.284 0.482 -0.222) 3.327 3.410 ( 3.428 0.617 -1.005) 3.625 3.597 ( 1.645 3.083 -0.095) 3.495 3.699 ( -1.002 -2.681 0.424) 2.893 3.740 ( -1.650 -1.098 0.044) 1.982 3.927 ( 2.964 0.675 0.312) 3.056 3.994 ( -1.336 5.367 -0.619) 5.565 4.450 ( -0.582 -1.649 0.348) 1.783 5.522 ( 8.861 -0.630 -4.446) 9.934 5.883 ( -5.643 0.027 3.941) 6.883 ======================= Grid point 210 (101/129) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -11.938 -0.109 3.035) 12.318 0.496 ( -8.833 10.256 2.206) 13.715 0.836 ( -3.216 0.244 1.963) 3.776 0.960 ( -2.404 0.686 0.729) 2.604 1.198 ( -0.997 -1.946 1.774) 2.816 1.312 ( 1.375 0.659 0.348) 1.564 1.405 ( 3.660 -1.600 -1.579) 4.296 1.512 ( 3.850 -0.245 -0.377) 3.876 1.566 ( 4.051 1.564 -1.001) 4.457 1.670 ( -2.898 -1.133 0.843) 3.223 1.906 ( -1.592 0.471 0.757) 1.825 2.102 ( 0.771 -1.902 -1.356) 2.460 2.263 ( 3.156 -0.061 -1.324) 3.423 2.452 ( -1.033 -1.454 1.450) 2.299 2.663 ( -1.328 0.507 0.312) 1.455 2.704 ( 1.401 1.041 -0.659) 1.866 2.795 ( -3.074 -0.297 0.196) 3.094 2.810 ( -2.353 0.466 0.093) 2.400 2.946 ( 1.298 0.071 -2.063) 2.439 3.082 ( -0.604 0.867 -0.682) 1.257 3.132 ( -2.378 0.393 -0.111) 2.413 3.454 ( 2.448 0.333 -0.610) 2.545 3.604 ( 0.940 0.857 0.223) 1.291 3.697 ( 0.128 1.780 -0.525) 1.861 3.739 ( -1.622 -5.059 1.432) 5.502 3.887 ( -2.053 4.945 0.471) 5.375 3.992 ( 2.479 1.013 -1.518) 3.078 4.459 ( 0.010 -1.017 0.652) 1.208 5.658 ( 9.137 -0.347 -4.676) 10.270 5.796 ( -7.239 -0.089 4.920) 8.753 ======================= Grid point 212 (102/129) ======================= q-point: ( 0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 8.931 0.000 0.856) 8.972 0.656 ( 6.373 0.000 -2.080) 6.703 0.867 ( 7.212 0.000 2.792) 7.734 1.061 ( 6.539 0.000 -0.346) 6.548 1.216 ( 0.802 0.000 1.352) 1.573 1.294 ( -3.672 -0.000 -1.359) 3.916 1.387 ( -2.403 -0.000 -2.998) 3.842 1.414 ( -5.521 -0.000 1.362) 5.686 1.490 ( -2.798 -0.000 -0.330) 2.818 1.721 ( 0.848 0.000 -1.034) 1.338 1.917 ( 0.584 0.000 1.164) 1.302 2.088 ( -0.681 -0.000 -0.232) 0.720 2.195 ( -2.929 -0.000 0.356) 2.950 2.484 ( -1.022 -0.000 -0.767) 1.278 2.682 ( 1.010 0.000 0.842) 1.315 2.694 ( 2.070 0.000 0.069) 2.071 2.847 ( 2.776 0.000 0.706) 2.864 2.862 ( 3.311 0.000 -1.024) 3.465 2.913 ( -1.317 -0.000 -0.551) 1.427 3.082 ( 0.899 0.000 0.086) 0.903 3.187 ( 3.790 0.000 -0.001) 3.790 3.383 ( -4.212 -0.000 0.606) 4.256 3.568 ( -2.846 -0.000 0.266) 2.858 3.692 ( 0.996 0.000 0.357) 1.058 3.846 ( 2.297 0.000 -4.021) 4.630 3.928 ( 4.202 0.000 -0.961) 4.310 3.939 ( -2.792 -0.000 -1.164) 3.025 4.454 ( -0.582 -0.000 1.340) 1.461 5.466 ( -6.492 -0.000 2.026) 6.801 5.942 ( 3.444 0.000 -2.145) 4.057 ======================= Grid point 213 (103/129) ======================= q-point: ( 0.25 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 7.119 1.627 -1.331) 7.423 0.735 ( 4.444 -2.040 -0.691) 4.938 0.967 ( 2.175 -2.320 -0.164) 3.184 1.174 ( -0.058 3.025 -0.256) 3.036 1.213 ( -0.846 -1.488 1.582) 2.331 1.261 ( 6.263 1.233 -0.305) 6.390 1.324 ( -4.910 -0.938 0.819) 5.065 1.344 ( -2.063 -0.628 -1.591) 2.679 1.463 ( -1.402 -1.330 -0.799) 2.091 1.708 ( -0.599 1.996 -1.094) 2.354 1.926 ( -0.653 -0.899 1.410) 1.795 2.077 ( 0.088 1.095 -0.295) 1.138 2.162 ( -1.313 -0.248 0.177) 1.348 2.448 ( -2.143 0.809 -0.270) 2.307 2.708 ( 1.368 0.097 0.599) 1.497 2.725 ( 1.499 -0.073 -0.299) 1.530 2.876 ( 0.869 1.460 0.297) 1.725 2.904 ( 0.199 -1.456 0.380) 1.518 2.910 ( 1.984 -0.236 -0.572) 2.078 3.100 ( 1.453 -0.325 -0.395) 1.541 3.240 ( 1.966 1.654 0.391) 2.599 3.325 ( -3.141 -2.538 0.730) 4.103 3.531 ( -2.437 -2.137 0.370) 3.263 3.717 ( 1.563 -0.206 0.267) 1.599 3.843 ( 2.711 4.723 -2.644) 6.053 3.881 ( -3.279 -0.042 -1.817) 3.749 4.008 ( 3.349 -3.353 -0.980) 4.839 4.449 ( -0.765 0.431 1.592) 1.818 5.385 ( -3.343 0.340 -0.428) 3.387 5.974 ( 1.163 -0.023 -0.553) 1.288 ======================= Grid point 214 (104/129) ======================= q-point: ( 0.38 0.12 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 3.326 3.648 -0.462) 4.958 0.809 ( 5.194 -0.667 -1.445) 5.433 0.987 ( -1.741 -1.379 -0.501) 2.277 1.088 ( -3.286 1.527 0.442) 3.651 1.223 ( -5.776 -1.152 1.020) 5.978 1.235 ( -1.078 -3.025 0.095) 3.213 1.339 ( 1.753 0.442 -0.797) 1.976 1.408 ( 6.859 1.206 0.235) 6.968 1.453 ( -0.608 -2.314 -0.449) 2.435 1.668 ( -0.719 2.983 -1.211) 3.299 1.927 ( -1.278 -1.551 1.410) 2.455 2.066 ( 0.022 1.412 -0.546) 1.514 2.158 ( 0.542 -0.411 -0.196) 0.708 2.406 ( -2.059 0.416 0.204) 2.110 2.724 ( 0.484 0.359 0.500) 0.783 2.739 ( 0.476 0.175 -0.360) 0.622 2.871 ( -0.249 0.645 -0.231) 0.729 2.912 ( -1.038 -0.575 1.040) 1.578 2.932 ( 0.532 -0.281 -0.063) 0.605 3.133 ( 2.367 0.379 -0.505) 2.450 3.210 ( -1.643 1.720 0.036) 2.378 3.343 ( 0.189 -2.784 0.852) 2.918 3.537 ( -0.844 -4.807 0.446) 4.901 3.741 ( 1.212 1.343 0.004) 1.809 3.820 ( -0.671 2.895 -1.216) 3.211 3.846 ( 2.536 2.914 -1.890) 4.300 4.079 ( 2.459 -2.438 -0.715) 3.536 4.430 ( -1.959 0.052 1.270) 2.335 5.357 ( 1.257 0.159 -2.645) 2.933 5.976 ( -1.118 0.001 1.047) 1.532 ======================= Grid point 215 (105/129) ======================= q-point: (-0.50 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -2.707 5.698 0.792) 6.358 0.875 ( 2.331 4.252 -3.078) 5.743 0.965 ( -0.902 -2.811 4.712) 5.561 1.056 ( -1.547 -0.538 -0.268) 1.660 1.157 ( -4.472 -2.542 0.289) 5.152 1.228 ( -1.644 -2.341 -1.506) 3.233 1.366 ( 1.889 1.252 -0.026) 2.267 1.452 ( 1.403 1.664 0.332) 2.202 1.507 ( 3.865 -1.505 -0.244) 4.155 1.629 ( -0.207 2.245 -1.010) 2.471 1.926 ( -1.163 -1.788 0.944) 2.333 2.047 ( -0.845 0.461 -0.726) 1.206 2.181 ( 1.976 -0.195 -0.773) 2.131 2.383 ( -1.343 -1.324 0.730) 2.022 2.722 ( -0.404 0.593 0.288) 0.774 2.736 ( -0.151 0.693 -0.170) 0.730 2.853 ( -1.407 -0.017 -0.203) 1.422 2.892 ( -2.320 -0.406 1.253) 2.668 2.939 ( 0.558 0.136 -0.421) 0.712 3.134 ( -0.541 1.939 0.221) 2.025 3.208 ( 1.404 -0.372 -0.576) 1.562 3.370 ( 0.749 -1.447 0.306) 1.658 3.576 ( -0.837 -5.776 0.474) 5.855 3.713 ( -1.104 3.864 -0.453) 4.044 3.799 ( 1.332 3.342 -0.449) 3.625 3.877 ( 4.665 1.954 -0.904) 5.138 4.114 ( 0.997 0.914 -1.053) 1.714 4.407 ( -2.005 -1.862 0.882) 2.875 5.401 ( 5.800 -0.352 -4.145) 7.138 5.946 ( -3.461 0.083 2.565) 4.309 ======================= Grid point 216 (106/129) ======================= q-point: (-0.38 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -5.704 5.684 1.377) 8.169 0.807 ( -2.633 6.042 2.003) 6.889 0.982 ( -6.306 -0.754 0.392) 6.363 1.018 ( -0.138 2.138 2.050) 2.965 1.130 ( -1.449 -2.632 -0.234) 3.014 1.250 ( 3.081 -2.969 -2.744) 5.083 1.354 ( -1.243 1.943 1.811) 2.933 1.467 ( 3.217 2.029 -0.703) 3.868 1.582 ( 3.576 0.510 -0.408) 3.635 1.620 ( 0.243 -1.392 -0.042) 1.413 1.927 ( -0.971 -1.175 0.565) 1.626 2.031 ( -1.162 -1.987 -1.028) 2.521 2.217 ( 2.805 -0.013 -1.276) 3.082 2.390 ( -0.964 -3.094 1.129) 3.432 2.705 ( -0.981 0.885 0.174) 1.333 2.727 ( 0.485 1.335 -0.170) 1.430 2.823 ( -2.333 -0.385 0.103) 2.367 2.861 ( -2.304 -0.105 1.006) 2.516 2.944 ( 0.890 0.505 -1.239) 1.607 3.113 ( -0.153 1.370 0.164) 1.388 3.208 ( -1.421 1.051 -0.218) 1.782 3.406 ( 2.408 -1.033 -0.492) 2.666 3.607 ( -1.807 -5.644 0.505) 5.948 3.661 ( -0.522 3.675 -0.147) 3.714 3.787 ( 1.566 4.265 -0.670) 4.593 3.943 ( 4.697 1.415 -0.226) 4.911 4.085 ( -0.594 4.469 -1.333) 4.702 4.407 ( -1.263 -3.164 0.616) 3.462 5.509 ( 8.747 -0.791 -4.807) 10.012 5.884 ( -5.715 0.076 3.890) 6.914 ======================= Grid point 217 (107/129) ======================= q-point: (-0.25 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -7.992 6.143 1.690) 10.221 0.705 ( -3.719 11.076 3.616) 12.231 0.851 ( -5.310 2.170 0.328) 5.746 0.989 ( -0.976 2.863 0.389) 3.050 1.144 ( -0.717 -3.800 0.778) 3.944 1.318 ( 1.910 -0.520 -0.242) 1.994 1.363 ( 2.476 -2.581 -0.376) 3.597 1.504 ( 2.310 -0.386 -0.814) 2.479 1.606 ( 2.601 2.525 -0.877) 3.730 1.644 ( -0.645 -1.478 0.830) 1.814 1.915 ( -1.213 0.276 0.776) 1.466 2.042 ( -0.249 -4.391 -1.365) 4.605 2.260 ( 2.748 -0.307 -1.335) 3.071 2.406 ( -1.278 -3.515 1.152) 3.913 2.679 ( -0.970 1.195 0.152) 1.547 2.733 ( 2.188 1.922 -0.291) 2.927 2.790 ( -1.891 -0.218 -0.000) 1.904 2.821 ( -2.831 0.625 0.810) 3.010 2.949 ( 0.925 0.257 -1.796) 2.037 3.106 ( 0.654 1.436 -0.291) 1.604 3.151 ( -2.875 1.987 -0.076) 3.496 3.452 ( 2.068 -0.783 -0.589) 2.288 3.622 ( -1.176 -2.141 0.671) 2.533 3.642 ( -0.104 -1.549 -0.092) 1.556 3.767 ( 1.226 5.010 -1.036) 5.260 3.972 ( 0.345 3.919 0.717) 3.999 4.034 ( 1.235 3.865 -2.098) 4.568 4.424 ( -0.412 -3.000 0.693) 3.106 5.647 ( 9.367 -0.794 -4.828) 10.568 5.794 ( -7.508 -0.135 4.811) 8.918 ======================= Grid point 218 (108/129) ======================= q-point: (-0.12 0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 0.981 7.024 0.804) 7.138 0.543 ( -0.211 15.476 1.889) 15.593 0.805 ( -2.526 -0.699 4.540) 5.242 0.964 ( 1.423 2.133 -1.457) 2.949 1.173 ( -0.089 -2.962 1.127) 3.170 1.329 ( -0.065 0.057 0.257) 0.271 1.423 ( 1.623 -2.379 -2.633) 3.902 1.532 ( -0.577 -1.825 0.080) 1.915 1.616 ( -2.579 0.593 0.553) 2.703 1.637 ( 2.916 0.992 -0.804) 3.183 1.898 ( -0.466 0.809 1.150) 1.481 2.076 ( 0.090 -3.992 -1.209) 4.172 2.282 ( -0.581 -0.435 -0.480) 0.870 2.430 ( 0.754 -2.877 0.207) 2.981 2.659 ( -0.069 1.124 0.190) 1.142 2.744 ( -1.816 2.552 0.296) 3.146 2.761 ( 1.220 0.647 0.185) 1.393 2.793 ( 0.700 0.052 -0.432) 0.824 2.950 ( 0.161 0.047 -1.551) 1.560 3.083 ( -0.638 2.828 0.214) 2.907 3.122 ( 0.619 0.174 -0.695) 0.947 3.471 ( -0.443 -0.206 0.043) 0.491 3.619 ( 0.232 0.863 -0.015) 0.894 3.680 ( 0.142 -5.965 0.244) 5.972 3.731 ( 0.589 4.397 -1.110) 4.573 3.930 ( 1.139 5.876 -0.382) 5.997 4.018 ( -0.048 1.955 -1.559) 2.501 4.447 ( -0.207 -2.316 0.772) 2.450 5.685 ( -8.261 -0.286 4.869) 9.593 5.779 ( 7.968 -0.565 -4.303) 9.073 ======================= Grid point 221 (109/129) ======================= q-point: ( 0.25 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 6.744 0.000 -2.071) 7.055 0.831 ( 5.092 0.000 -1.283) 5.252 0.964 ( -0.478 -0.000 -1.259) 1.347 1.107 ( -5.096 -0.000 0.734) 5.148 1.198 ( -1.885 -0.000 1.285) 2.282 1.212 ( -7.115 -0.000 1.425) 7.256 1.343 ( 2.218 0.000 -0.759) 2.344 1.425 ( 8.997 0.000 -0.142) 8.998 1.429 ( -1.710 -0.000 -1.316) 2.158 1.697 ( -1.049 -0.000 -1.207) 1.599 1.911 ( -1.345 -0.000 1.685) 2.156 2.080 ( -0.229 -0.000 -0.599) 0.641 2.154 ( 0.524 0.000 -0.097) 0.533 2.410 ( -2.681 -0.000 -0.014) 2.681 2.728 ( 0.592 0.000 0.434) 0.734 2.741 ( 0.726 0.000 -0.619) 0.954 2.882 ( -0.682 -0.000 -0.167) 0.703 2.902 ( -0.784 -0.000 1.443) 1.642 2.929 ( 0.618 0.000 0.131) 0.632 3.137 ( 3.344 0.000 -0.594) 3.396 3.242 ( -4.070 -0.000 0.501) 4.100 3.299 ( 2.211 0.000 0.878) 2.379 3.493 ( -0.990 -0.000 0.246) 1.020 3.753 ( 2.475 0.000 0.510) 2.527 3.823 ( -2.653 -0.000 -1.513) 3.054 3.912 ( 4.456 0.000 -2.473) 5.096 4.041 ( 2.797 0.000 -0.783) 2.905 4.431 ( -2.560 -0.000 1.521) 2.977 5.358 ( 1.027 0.000 -2.784) 2.967 5.976 ( -1.079 -0.000 1.063) 1.514 ======================= Grid point 222 (110/129) ======================= q-point: (-0.62 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -1.689 4.415 -1.426) 4.938 0.909 ( 4.216 -1.391 1.548) 4.702 0.945 ( 0.939 1.171 -3.714) 4.006 1.054 ( -1.412 0.460 0.906) 1.740 1.113 ( -5.969 -1.911 1.432) 6.429 1.191 ( -0.771 -1.802 1.067) 2.231 1.381 ( 1.804 0.732 -0.531) 2.018 1.410 ( 0.301 -2.734 -0.848) 2.878 1.534 ( 4.957 1.579 -0.153) 5.205 1.667 ( -1.048 1.350 -1.144) 2.056 1.901 ( -1.031 -0.824 1.084) 1.708 2.059 ( -1.790 0.527 -0.584) 1.955 2.176 ( 1.971 -0.263 -0.480) 2.045 2.366 ( -2.694 -0.491 0.265) 2.751 2.731 ( -0.212 0.315 0.305) 0.487 2.745 ( 0.366 0.284 -0.537) 0.709 2.860 ( -1.555 0.631 0.199) 1.690 2.882 ( -2.545 -0.673 1.391) 2.978 2.941 ( 0.871 0.065 -0.115) 0.881 3.173 ( -1.066 2.136 0.304) 2.407 3.201 ( 1.832 -0.667 -0.422) 1.995 3.340 ( 1.355 -1.390 0.773) 2.089 3.499 ( -0.108 -2.516 0.136) 2.522 3.766 ( -1.109 2.383 -0.244) 2.640 3.810 ( 1.642 -1.273 0.387) 2.113 3.960 ( 5.559 5.265 -2.428) 8.032 4.094 ( 2.502 -2.606 -1.094) 3.775 4.385 ( -3.658 -0.586 1.129) 3.873 5.397 ( 5.523 -0.134 -4.427) 7.080 5.947 ( -3.412 0.043 2.574) 4.274 ======================= Grid point 223 (111/129) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -5.432 5.218 -0.493) 7.548 0.874 ( -4.932 0.659 1.959) 5.347 0.988 ( 1.843 2.620 0.496) 3.241 1.025 ( -2.271 -0.941 0.688) 2.552 1.113 ( 2.637 -0.571 0.040) 2.698 1.202 ( 1.818 -1.408 -1.914) 2.992 1.376 ( -1.435 0.480 0.181) 1.524 1.480 ( 3.561 -2.938 -0.268) 4.625 1.562 ( 1.372 1.879 0.061) 2.327 1.642 ( 0.243 1.162 -0.732) 1.394 1.901 ( -0.482 -1.263 0.221) 1.370 2.013 ( -2.993 -0.268 -0.480) 3.043 2.214 ( 2.544 -0.314 -0.969) 2.740 2.340 ( -2.100 -2.242 0.611) 3.132 2.720 ( -0.662 0.725 0.211) 1.005 2.747 ( 0.924 0.863 -0.333) 1.307 2.824 ( -2.314 0.439 0.591) 2.428 2.854 ( -2.113 -0.687 1.062) 2.462 2.952 ( 0.862 0.334 -0.937) 1.316 3.137 ( -0.891 1.226 0.252) 1.536 3.228 ( 0.674 1.101 -0.054) 1.292 3.382 ( 2.137 -1.414 0.022) 2.562 3.521 ( -0.901 -3.805 0.086) 3.912 3.719 ( -1.400 2.811 0.165) 3.145 3.843 ( 1.791 1.332 0.329) 2.256 3.996 ( 5.592 4.804 -1.730) 7.572 4.135 ( 1.400 0.656 -1.879) 2.433 4.348 ( -2.742 -2.969 0.879) 4.136 5.497 ( 8.654 -0.489 -5.139) 10.077 5.885 ( -5.768 0.080 3.840) 6.929 ======================= Grid point 224 (112/129) ======================= q-point: (-0.38 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -6.162 5.980 0.218) 8.589 0.801 ( -3.755 1.378 3.941) 5.615 0.949 ( -0.606 6.726 -1.088) 6.840 1.031 ( -0.590 -2.118 2.696) 3.479 1.110 ( 0.173 4.128 -1.782) 4.500 1.283 ( 5.007 -3.043 -2.930) 6.551 1.336 ( -2.515 -0.314 1.516) 2.954 1.516 ( 0.975 1.769 -0.416) 2.063 1.607 ( 1.994 -3.168 0.557) 3.785 1.641 ( 0.901 1.058 -0.502) 1.477 1.909 ( 0.062 -1.011 0.178) 1.029 1.973 ( -2.535 -2.665 -0.790) 3.762 2.253 ( 2.170 -0.528 -1.164) 2.519 2.340 ( -1.526 -3.647 0.805) 4.035 2.701 ( -0.593 1.180 0.175) 1.332 2.761 ( 1.960 1.122 -0.260) 2.273 2.790 ( -1.369 0.236 0.184) 1.401 2.828 ( -2.171 0.112 1.030) 2.405 2.955 ( 0.583 0.329 -1.501) 1.643 3.124 ( 0.239 0.729 -0.118) 0.777 3.201 ( -1.289 3.214 0.093) 3.464 3.430 ( 1.852 -1.523 -0.346) 2.422 3.538 ( -1.182 -4.396 0.116) 4.553 3.678 ( -0.544 2.800 0.240) 2.863 3.848 ( 1.555 3.540 -0.698) 3.929 4.034 ( 3.443 3.657 -0.553) 5.053 4.110 ( -0.089 3.971 -2.345) 4.612 4.356 ( -1.033 -4.458 0.751) 4.637 5.633 ( 9.541 -0.720 -5.024) 10.807 5.792 ( -7.719 -0.038 4.648) 9.010 ======================= Grid point 225 (113/129) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 0.045 7.269 0.334) 7.277 0.769 ( -0.888 2.742 5.825) 6.499 0.846 ( -0.720 11.117 -1.392) 11.227 1.025 ( 1.073 4.969 -0.192) 5.087 1.107 ( 0.536 -4.183 -0.795) 4.291 1.309 ( -2.221 -2.121 1.770) 3.545 1.373 ( 2.653 -3.109 -2.854) 4.985 1.509 ( -0.575 0.087 0.010) 0.582 1.632 ( -0.252 0.835 0.297) 0.921 1.651 ( 0.574 -0.173 -0.501) 0.781 1.910 ( -0.322 0.479 0.947) 1.109 1.988 ( 0.157 -5.399 -1.280) 5.551 2.271 ( -0.709 -0.818 -0.260) 1.113 2.366 ( 0.571 -4.000 0.126) 4.042 2.684 ( 0.033 1.530 0.109) 1.534 2.766 ( -1.050 0.480 0.585) 1.294 2.788 ( -1.530 0.833 0.155) 1.749 2.800 ( 3.199 1.405 -0.760) 3.576 2.952 ( 0.169 0.187 -1.433) 1.455 3.126 ( 0.197 0.353 -0.546) 0.679 3.150 ( 0.108 4.391 0.060) 4.393 3.456 ( -0.269 -1.320 -0.026) 1.347 3.570 ( 0.216 -5.203 -0.014) 5.208 3.654 ( 0.009 2.208 0.096) 2.211 3.824 ( 0.542 5.052 -1.469) 5.289 4.023 ( 0.474 4.715 -0.138) 4.741 4.068 ( 0.387 3.557 -2.387) 4.301 4.389 ( -0.335 -4.213 0.896) 4.321 5.678 ( -8.749 -0.508 4.788) 9.986 5.768 ( 8.420 -0.507 -4.424) 9.525 ======================= Grid point 226 (114/129) ======================= q-point: (-0.12 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 7.438 4.831 0.642) 8.893 0.739 ( 4.725 13.436 -0.357) 14.247 0.802 ( 1.803 0.456 4.748) 5.099 1.016 ( 2.767 2.878 -1.686) 4.334 1.157 ( 1.296 -3.377 -0.204) 3.622 1.294 ( -3.262 -3.217 0.805) 4.652 1.401 ( -0.074 -1.396 -2.769) 3.101 1.487 ( -2.848 -0.417 0.752) 2.975 1.595 ( -2.434 2.745 0.242) 3.677 1.663 ( 0.714 -1.726 -0.952) 2.096 1.913 ( 0.798 0.506 0.882) 1.292 2.035 ( 0.335 -4.382 -0.638) 4.441 2.244 ( -2.861 -0.337 0.359) 2.903 2.422 ( 1.495 -3.950 -0.456) 4.248 2.680 ( 0.975 1.307 0.064) 1.632 2.719 ( -2.380 1.805 1.074) 3.174 2.795 ( 2.064 0.183 -0.467) 2.124 2.841 ( 3.270 1.184 -1.161) 3.667 2.942 ( -0.470 0.371 -1.009) 1.173 3.105 ( 0.001 2.248 -0.156) 2.253 3.153 ( 2.606 1.693 -0.373) 3.130 3.442 ( -2.483 -0.517 0.449) 2.576 3.633 ( 0.416 1.455 -0.260) 1.535 3.641 ( 1.259 -5.573 -0.214) 5.718 3.769 ( -0.389 4.924 -1.315) 5.111 3.990 ( -0.632 2.230 -1.139) 2.582 4.029 ( 0.761 4.808 -1.704) 5.158 4.420 ( -0.363 -3.057 1.022) 3.243 5.561 ( -8.325 -0.851 3.934) 9.247 5.875 ( 6.101 -0.248 -3.448) 7.013 ======================= Grid point 230 (115/129) ======================= q-point: (-0.62 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -6.375 -0.000 -0.769) 6.422 0.865 ( -3.568 -0.000 1.177) 3.757 1.007 ( -4.928 -0.000 0.493) 4.952 1.055 ( -0.369 -0.000 0.576) 0.684 1.074 ( 9.142 0.000 -2.697) 9.531 1.206 ( 2.068 0.000 2.019) 2.890 1.377 ( -0.067 -0.000 -0.710) 0.713 1.434 ( 2.830 0.000 -0.800) 2.941 1.596 ( 1.590 0.000 0.123) 1.595 1.648 ( -1.263 -0.000 -0.764) 1.476 1.890 ( -0.267 -0.000 0.031) 0.269 2.012 ( -3.625 -0.000 -0.261) 3.634 2.210 ( 2.466 0.000 -0.751) 2.578 2.319 ( -2.642 -0.000 0.391) 2.670 2.727 ( -0.569 -0.000 0.251) 0.622 2.755 ( 1.010 0.000 -0.499) 1.126 2.834 ( -3.026 -0.000 1.214) 3.260 2.841 ( -1.391 -0.000 0.628) 1.527 2.955 ( 0.867 0.000 -0.856) 1.218 3.149 ( -1.566 -0.000 0.204) 1.579 3.239 ( 1.716 0.000 0.130) 1.721 3.368 ( 2.249 0.000 0.256) 2.263 3.485 ( -0.436 -0.000 -0.149) 0.460 3.748 ( -1.641 -0.000 0.167) 1.649 3.848 ( 2.465 0.000 0.904) 2.625 4.072 ( 5.762 0.000 -3.567) 6.777 4.112 ( 2.121 0.000 -0.583) 2.199 4.321 ( -3.892 -0.000 0.801) 3.973 5.493 ( 8.622 0.000 -5.267) 10.104 5.886 ( -5.784 -0.000 3.819) 6.931 ======================= Grid point 232 (116/129) ======================= q-point: (-0.50 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -6.003 2.688 -0.233) 6.581 0.816 ( -2.998 0.650 2.035) 3.681 0.960 ( -2.566 -3.265 1.493) 4.413 1.037 ( 0.463 2.952 -1.184) 3.214 1.195 ( 4.740 0.927 -0.407) 4.847 1.249 ( 4.293 0.825 -1.178) 4.528 1.359 ( -1.479 3.232 -0.258) 3.563 1.504 ( 3.362 -4.882 -0.342) 5.938 1.582 ( -1.239 2.369 0.412) 2.705 1.637 ( -0.734 -1.421 -0.115) 1.604 1.891 ( 0.431 -0.595 -0.782) 1.073 1.952 ( -3.393 -0.302 0.072) 3.407 2.244 ( 1.696 -0.343 -0.735) 1.879 2.291 ( -1.620 -1.558 0.440) 2.291 2.716 ( -0.462 0.483 0.200) 0.697 2.772 ( 1.300 0.258 -0.284) 1.356 2.796 ( -1.481 0.329 0.390) 1.566 2.826 ( -1.156 -0.211 0.890) 1.474 2.959 ( 0.413 0.152 -1.352) 1.422 3.133 ( -0.289 0.279 -0.031) 0.403 3.248 ( 0.142 1.660 0.219) 1.681 3.408 ( 1.893 -0.757 -0.245) 2.054 3.481 ( -0.889 -1.871 -0.132) 2.075 3.721 ( -0.803 1.574 0.359) 1.803 3.884 ( 1.722 0.788 0.247) 1.909 4.106 ( 3.404 4.194 -1.585) 5.629 4.151 ( 1.269 0.041 -2.399) 2.715 4.282 ( -2.184 -3.060 0.739) 3.831 5.624 ( 9.587 -0.274 -5.148) 10.886 5.792 ( -7.781 0.009 4.530) 9.003 ======================= Grid point 233 (117/129) ======================= q-point: (-0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -0.398 4.765 0.226) 4.787 0.784 ( -0.960 0.949 3.050) 3.336 0.976 ( -1.240 -2.034 1.959) 3.084 1.020 ( 1.835 1.107 -2.282) 3.131 1.191 ( 1.491 9.384 -1.106) 9.566 1.280 ( -4.337 0.157 1.550) 4.608 1.326 ( 3.905 -1.577 -2.916) 5.122 1.536 ( -0.633 2.517 0.506) 2.644 1.602 ( 0.549 -5.313 -0.150) 5.343 1.636 ( -0.556 -0.982 0.283) 1.163 1.912 ( -0.494 -2.570 -1.173) 2.868 1.916 ( 0.565 0.181 0.538) 0.801 2.255 ( -1.006 -0.901 0.456) 1.425 2.303 ( 0.707 -2.729 -0.422) 2.850 2.707 ( 0.056 0.951 0.107) 0.958 2.774 ( -0.691 0.396 0.536) 0.960 2.791 ( -0.033 -0.078 -0.191) 0.209 2.822 ( 1.585 0.707 -0.468) 1.797 2.956 ( 0.124 0.190 -1.255) 1.275 3.132 ( 0.361 0.292 -0.449) 0.646 3.225 ( 0.239 3.617 -0.114) 3.627 3.432 ( -0.099 -1.234 -0.137) 1.246 3.494 ( -0.116 -3.344 0.033) 3.346 3.699 ( 0.106 2.487 0.167) 2.494 3.890 ( 0.836 2.388 -1.019) 2.728 4.098 ( -0.611 3.870 0.272) 3.927 4.129 ( 0.782 2.874 -3.261) 4.417 4.306 ( -0.253 -4.853 0.823) 4.929 5.669 ( -8.755 -0.413 4.454) 9.831 5.762 ( 8.404 -0.176 -4.302) 9.443 ======================= Grid point 234 (118/129) ======================= q-point: (-0.25 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 5.076 5.194 1.162) 7.355 0.806 ( 2.512 0.281 2.846) 3.806 0.935 ( 0.196 7.157 0.061) 7.160 1.073 ( 2.001 -4.594 -0.623) 5.050 1.116 ( 1.427 7.802 -2.329) 8.266 1.233 ( -4.621 -3.188 1.937) 5.939 1.376 ( 2.039 -1.257 -2.653) 3.575 1.502 ( -1.715 1.923 0.939) 2.742 1.617 ( -2.244 -3.640 -0.391) 4.294 1.633 ( -0.819 1.029 0.258) 1.340 1.911 ( 0.266 -0.967 -0.037) 1.003 1.967 ( 2.274 -2.422 -0.174) 3.327 2.236 ( -2.221 -0.495 0.584) 2.349 2.350 ( 1.361 -3.864 -0.281) 4.106 2.704 ( 0.680 1.221 -0.056) 1.398 2.744 ( -2.299 0.955 1.331) 2.823 2.802 ( 2.108 0.645 -0.990) 2.417 2.854 ( 2.701 0.216 -1.506) 3.100 2.949 ( -0.090 0.368 -0.857) 0.938 3.131 ( 0.444 0.850 -0.815) 1.259 3.203 ( 1.319 3.501 -0.191) 3.746 3.425 ( -2.006 -1.265 0.206) 2.381 3.540 ( 1.302 -4.895 -0.055) 5.065 3.681 ( 0.556 3.006 -0.012) 3.057 3.858 ( -0.400 4.317 -1.736) 4.671 4.028 ( -3.468 2.603 -0.411) 4.356 4.107 ( 0.840 3.454 -1.693) 3.938 4.354 ( 0.556 -4.237 0.995) 4.387 5.546 ( -8.645 -0.780 3.832) 9.489 5.871 ( 6.408 -0.127 -3.417) 7.264 ======================= Grid point 235 (119/129) ======================= q-point: (-0.12 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 5.317 3.711 1.630) 6.686 0.813 ( -0.432 4.916 0.736) 4.989 0.964 ( 7.872 1.511 1.065) 8.086 1.078 ( 1.420 3.540 -2.251) 4.429 1.146 ( 1.248 -5.380 -1.629) 5.758 1.205 ( -2.226 -2.533 1.882) 3.861 1.389 ( 0.333 0.642 -1.921) 2.053 1.447 ( -3.293 2.332 1.233) 4.219 1.575 ( -3.401 1.843 0.140) 3.870 1.628 ( -0.607 -3.256 -0.653) 3.375 1.932 ( 1.146 -0.598 0.032) 1.293 2.016 ( 1.094 -2.090 0.328) 2.382 2.201 ( -2.262 0.175 0.344) 2.295 2.401 ( 0.499 -3.742 -0.086) 3.776 2.704 ( -0.002 1.117 0.548) 1.245 2.716 ( 0.287 0.904 0.606) 1.126 2.833 ( 2.398 0.332 -0.865) 2.571 2.887 ( 2.501 0.281 -1.630) 2.999 2.937 ( -0.363 0.779 -0.406) 0.950 3.123 ( 0.441 1.766 -0.839) 2.004 3.206 ( 1.351 1.179 -0.115) 1.797 3.396 ( -2.366 -0.495 0.539) 2.476 3.616 ( 1.728 -5.884 -0.357) 6.142 3.660 ( 0.404 3.508 -0.087) 3.532 3.793 ( -1.103 4.760 -1.242) 5.042 3.949 ( -3.906 0.462 -1.042) 4.069 4.082 ( 0.676 3.389 -0.967) 3.588 4.403 ( 0.909 -2.708 1.050) 3.043 5.441 ( -6.468 -1.056 2.103) 6.883 5.942 ( 3.686 0.035 -2.094) 4.239 ======================= Grid point 240 (120/129) ======================= q-point: ( 0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.378 0.000 0.188) 0.422 0.801 ( -0.673 0.000 1.864) 1.982 0.919 ( -0.944 0.000 1.833) 2.062 1.052 ( 0.947 0.000 -1.605) 1.863 1.234 ( -0.998 0.000 0.159) 1.010 1.300 ( 2.510 0.000 -2.667) 3.662 1.387 ( 0.208 0.000 -0.596) 0.631 1.501 ( -0.240 0.000 0.060) 0.247 1.574 ( -0.468 0.000 0.762) 0.894 1.614 ( -0.525 0.000 0.578) 0.781 1.891 ( 0.103 0.000 -1.260) 1.264 1.920 ( 0.057 0.000 0.465) 0.468 2.245 ( -1.215 0.000 1.216) 1.719 2.279 ( 0.904 0.000 -1.095) 1.420 2.716 ( 0.043 0.000 0.119) 0.127 2.778 ( -1.069 0.000 0.818) 1.346 2.790 ( 0.795 0.000 -0.592) 0.991 2.828 ( 1.198 0.000 -0.415) 1.268 2.958 ( 0.095 0.000 -1.174) 1.177 3.134 ( 0.362 0.000 -0.377) 0.523 3.260 ( 0.397 0.000 -0.256) 0.473 3.420 ( -0.031 0.000 -0.215) 0.217 3.462 ( -0.292 0.000 0.130) 0.319 3.724 ( 0.154 0.000 0.152) 0.216 3.910 ( 0.975 0.000 -0.725) 1.215 4.145 ( -0.720 0.000 0.705) 1.008 4.156 ( 0.054 0.000 -3.466) 3.467 4.248 ( 0.298 0.000 0.477) 0.563 5.665 ( -8.641 0.000 4.265) 9.637 5.761 ( 8.284 0.000 -4.201) 9.289 ======================= Grid point 242 (121/129) ======================= q-point: (-0.38 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 4.866 2.864 1.057) 5.745 0.811 ( 1.730 0.352 1.843) 2.552 0.949 ( 1.202 -3.336 1.657) 3.914 1.055 ( 1.321 2.519 -2.086) 3.527 1.182 ( -5.838 -2.383 1.078) 6.397 1.272 ( -1.280 7.014 -2.712) 7.628 1.369 ( 2.018 0.986 -1.591) 2.752 1.498 ( -3.748 -4.812 0.376) 6.111 1.576 ( 0.328 1.819 0.861) 2.039 1.627 ( 0.214 -1.600 0.745) 1.777 1.892 ( 0.502 -0.670 -0.896) 1.226 1.950 ( 2.809 -0.160 0.345) 2.835 2.228 ( -1.652 -0.297 0.940) 1.924 2.299 ( 1.249 -1.580 -0.505) 2.077 2.719 ( 0.563 0.470 -0.031) 0.734 2.754 ( -2.039 0.243 1.388) 2.478 2.814 ( 2.663 0.556 -1.348) 3.036 2.850 ( 1.859 -0.353 -1.478) 2.401 2.954 ( 0.043 0.143 -0.720) 0.735 3.141 ( 0.902 0.287 -0.781) 1.227 3.255 ( 0.195 1.879 -0.614) 1.987 3.406 ( -1.776 -0.636 -0.003) 1.886 3.475 ( 0.624 -2.155 0.396) 2.278 3.726 ( 0.976 1.655 -0.153) 1.927 3.906 ( -0.189 1.149 -1.930) 2.254 4.087 ( -3.857 3.738 -0.182) 5.374 4.135 ( -1.487 -0.660 -0.359) 1.666 4.289 ( 2.306 -2.429 0.131) 3.352 5.536 ( -8.821 -0.299 3.772) 9.598 5.870 ( 6.578 -0.022 -3.418) 7.413 ======================= Grid point 243 (122/129) ======================= q-point: (-0.25 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 4.318 4.460 2.322) 6.628 0.870 ( 2.881 0.403 1.010) 3.079 0.981 ( -0.229 1.969 0.520) 2.049 1.046 ( 0.133 -4.506 -0.239) 4.514 1.141 ( -2.073 -1.761 -1.207) 2.976 1.187 ( 0.563 4.603 -0.814) 4.708 1.394 ( 1.301 -0.197 -1.905) 2.315 1.470 ( -3.467 -2.985 0.770) 4.639 1.554 ( -2.097 1.090 0.806) 2.497 1.630 ( -0.420 0.863 0.351) 1.022 1.912 ( 1.351 -1.168 -0.899) 1.999 2.001 ( 2.402 -0.055 0.792) 2.530 2.203 ( -1.833 0.012 0.215) 1.846 2.342 ( 1.432 -2.658 0.272) 3.032 2.722 ( -0.429 0.849 0.658) 1.157 2.728 ( -0.278 0.453 0.774) 0.939 2.845 ( 2.555 1.012 -1.500) 3.131 2.884 ( 2.489 -0.677 -1.884) 3.195 2.948 ( -0.264 0.406 -0.399) 0.628 3.150 ( 1.321 1.224 -1.038) 2.079 3.231 ( -0.940 1.445 -0.420) 1.774 3.381 ( -1.895 -0.951 0.214) 2.131 3.520 ( 1.061 -4.389 0.150) 4.518 3.723 ( 1.181 3.114 -0.221) 3.338 3.869 ( -1.148 2.441 -2.251) 3.513 3.975 ( -5.331 3.309 0.153) 6.277 4.113 ( -1.547 -0.157 0.444) 1.617 4.354 ( 2.686 -2.381 0.290) 3.601 5.425 ( -6.455 -0.664 2.161) 6.840 5.943 ( 3.812 0.062 -2.094) 4.350 ======================= Grid point 244 (123/129) ======================= q-point: (-0.12 0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 2.197 3.150 2.235) 4.443 0.838 ( -1.698 3.587 0.202) 3.974 1.007 ( -1.523 -5.681 0.259) 5.888 1.062 ( -0.145 1.134 -0.609) 1.296 1.165 ( 5.219 -2.038 -0.340) 5.614 1.218 ( 3.268 -1.085 -0.456) 3.473 1.369 ( -2.943 0.778 -0.355) 3.064 1.453 ( -0.737 3.159 0.064) 3.244 1.501 ( -3.709 -2.745 0.227) 4.620 1.618 ( 0.313 1.281 -0.017) 1.319 1.942 ( 1.182 -1.092 -0.526) 1.693 2.030 ( 0.963 0.258 0.865) 1.320 2.175 ( -1.168 0.220 -0.180) 1.202 2.384 ( 0.581 -2.023 0.607) 2.190 2.711 ( -0.338 0.329 1.616) 1.683 2.735 ( 0.713 0.421 -0.312) 0.885 2.865 ( 1.543 0.754 -1.395) 2.213 2.920 ( 2.060 -0.093 -1.395) 2.490 2.935 ( -0.566 0.503 0.013) 0.758 3.145 ( 0.284 2.178 -0.879) 2.365 3.205 ( -1.059 -0.236 -0.295) 1.124 3.369 ( -0.636 -0.851 0.442) 1.150 3.585 ( 1.113 -6.247 -0.391) 6.357 3.705 ( 0.463 4.468 0.313) 4.503 3.806 ( -1.572 4.315 -1.081) 4.718 3.878 ( -3.829 -0.029 -1.078) 3.978 4.097 ( -0.629 0.057 0.647) 0.905 4.411 ( 1.764 -1.264 0.478) 2.222 5.361 ( -2.576 -0.702 -0.036) 2.670 5.977 ( 1.146 0.105 -0.593) 1.294 ======================= Grid point 250 (124/129) ======================= q-point: ( 0.62 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 4.921 0.000 1.956) 5.296 0.850 ( 2.368 0.000 1.500) 2.803 0.992 ( 4.589 0.000 0.758) 4.652 1.039 ( -9.424 -0.000 1.522) 9.547 1.094 ( 2.200 0.000 -2.021) 2.987 1.270 ( -1.717 -0.000 -3.696) 4.076 1.366 ( -0.597 -0.000 0.399) 0.718 1.423 ( -2.557 -0.000 0.137) 2.561 1.587 ( -1.809 -0.000 0.761) 1.962 1.631 ( 1.037 0.000 0.828) 1.327 1.901 ( 1.410 0.000 -1.115) 1.798 2.002 ( 2.868 0.000 0.833) 2.987 2.202 ( -1.690 -0.000 0.106) 1.693 2.317 ( 1.862 0.000 0.399) 1.904 2.731 ( -1.745 -0.000 1.792) 2.501 2.732 ( 0.773 0.000 -0.231) 0.807 2.865 ( 3.554 0.000 -1.733) 3.954 2.867 ( 1.622 0.000 -1.919) 2.512 2.951 ( -0.227 -0.000 -0.380) 0.442 3.162 ( 1.964 0.000 -0.992) 2.200 3.246 ( -2.002 -0.000 -0.703) 2.122 3.372 ( -1.833 -0.000 -0.017) 1.833 3.478 ( 0.506 0.000 0.562) 0.756 3.754 ( 1.534 0.000 -0.465) 1.603 3.881 ( -2.085 -0.000 -2.373) 3.158 4.037 ( -4.983 -0.000 -0.189) 4.986 4.087 ( -2.634 -0.000 1.925) 3.263 4.332 ( 3.750 0.000 -0.269) 3.760 5.419 ( -6.453 -0.000 2.187) 6.813 5.944 ( 3.856 0.000 -2.101) 4.391 ======================= Grid point 252 (125/129) ======================= q-point: (-0.25 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.927 3.989 2.686) 4.897 0.888 ( -7.656 0.520 0.753) 7.710 0.915 ( 1.953 -3.342 1.477) 4.143 1.064 ( 2.163 -0.400 -0.308) 2.221 1.142 ( 4.558 -0.895 -0.924) 4.736 1.221 ( 0.122 1.348 -1.230) 1.829 1.379 ( -2.813 0.306 -0.190) 2.836 1.396 ( 0.922 -4.209 0.012) 4.309 1.527 ( -4.723 1.758 0.329) 5.051 1.649 ( 1.205 1.241 0.519) 1.806 1.924 ( 1.556 -0.622 -1.153) 2.034 2.041 ( 1.476 0.531 1.151) 1.945 2.176 ( -1.194 -0.028 -0.512) 1.299 2.358 ( 1.913 -0.784 1.029) 2.309 2.715 ( -1.039 0.146 2.136) 2.379 2.741 ( 0.542 0.214 -0.507) 0.772 2.881 ( 1.669 0.833 -1.845) 2.624 2.913 ( 2.458 -0.526 -1.597) 2.978 2.942 ( -0.666 0.207 -0.166) 0.717 3.184 ( -0.584 1.893 -0.830) 2.148 3.203 ( 0.057 -0.198 -0.664) 0.695 3.348 ( -1.417 -1.048 0.075) 1.764 3.498 ( 0.329 -2.939 0.198) 2.964 3.766 ( 1.142 2.444 -0.335) 2.718 3.832 ( -2.540 -1.066 -1.766) 3.272 3.930 ( -4.699 4.576 0.384) 6.570 4.070 ( -2.165 -2.491 1.311) 3.551 4.396 ( 3.386 -0.430 0.059) 3.414 5.352 ( -2.331 -0.272 0.116) 2.349 5.978 ( 1.130 0.051 -0.616) 1.288 ======================= Grid point 253 (126/129) ======================= q-point: (-0.12 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -5.999 1.024 3.815) 7.183 0.819 ( -2.181 -0.894 -1.632) 2.867 0.966 ( 0.679 -1.805 1.774) 2.620 1.082 ( 1.479 1.631 0.992) 2.415 1.232 ( 3.159 -1.349 -0.043) 3.435 1.254 ( 3.790 -1.761 -0.894) 4.274 1.326 ( -2.657 0.797 0.363) 2.798 1.412 ( -6.752 1.156 -0.320) 6.858 1.452 ( 1.669 -3.583 -0.507) 3.985 1.652 ( 1.097 2.834 0.285) 3.053 1.947 ( 0.680 -0.788 -0.536) 1.171 2.054 ( 0.684 1.083 0.589) 1.409 2.165 ( 0.197 -0.141 -0.815) 0.850 2.394 ( 1.228 -0.097 1.331) 1.813 2.712 ( -0.607 -0.183 1.917) 2.019 2.739 ( -0.216 0.177 -0.718) 0.771 2.885 ( 0.576 1.180 -1.509) 2.000 2.924 ( -1.105 0.253 0.271) 1.166 2.936 ( 0.311 -0.304 -0.949) 1.043 3.132 ( -2.347 0.332 -0.373) 2.399 3.219 ( 1.900 2.239 -0.762) 3.034 3.352 ( -0.044 -2.426 0.004) 2.427 3.545 ( 0.939 -5.430 -0.321) 5.520 3.740 ( -1.080 2.830 0.172) 3.034 3.811 ( -1.061 3.677 -0.340) 3.842 3.833 ( -1.079 0.440 -0.619) 1.320 4.065 ( -1.924 -2.982 0.664) 3.610 4.440 ( 1.628 0.461 0.302) 1.719 5.350 ( 2.324 -0.145 -1.989) 3.063 5.977 ( -1.304 0.035 0.967) 1.624 ======================= Grid point 260 (127/129) ======================= q-point: (-0.25 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -8.221 -0.000 3.172) 8.812 0.804 ( -4.039 -0.000 1.333) 4.253 0.947 ( 1.982 0.000 0.072) 1.984 1.104 ( 3.384 0.000 0.966) 3.519 1.211 ( -0.736 -0.000 1.068) 1.297 1.236 ( 6.729 0.000 -0.753) 6.771 1.339 ( -2.265 -0.000 -0.723) 2.378 1.414 ( 2.554 0.000 0.121) 2.557 1.424 ( -8.342 -0.000 -0.413) 8.353 1.680 ( 1.390 0.000 0.374) 1.440 1.938 ( 0.972 0.000 -0.964) 1.369 2.066 ( 0.749 0.000 0.798) 1.094 2.163 ( 0.125 0.000 -0.960) 0.968 2.394 ( 1.887 0.000 1.560) 2.448 2.710 ( -0.887 -0.000 2.208) 2.379 2.741 ( -0.266 -0.000 -0.833) 0.874 2.899 ( 0.981 0.000 -1.632) 1.904 2.928 ( -1.166 -0.000 0.042) 1.167 2.929 ( 0.216 0.000 -1.149) 1.169 3.136 ( -2.922 -0.000 -0.426) 2.953 3.260 ( 4.382 0.000 -1.189) 4.540 3.308 ( -2.607 -0.000 0.100) 2.608 3.495 ( 1.073 0.000 0.100) 1.077 3.767 ( -2.907 -0.000 -0.827) 3.022 3.810 ( 2.473 0.000 -0.181) 2.480 3.884 ( -3.693 -0.000 0.183) 3.697 4.024 ( -2.611 -0.000 0.922) 2.769 4.445 ( 2.247 0.000 0.194) 2.255 5.349 ( 2.541 0.000 -1.855) 3.146 5.977 ( -1.342 -0.000 0.949) 1.643 ======================= Grid point 261 (128/129) ======================= q-point: (-0.12 -0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -5.997 0.841 4.232) 7.388 0.723 ( -6.621 -3.379 0.898) 7.487 0.968 ( -0.108 -1.253 -0.610) 1.398 1.146 ( -0.612 4.262 2.737) 5.102 1.225 ( -0.784 -4.618 1.683) 4.978 1.251 ( -6.318 1.886 0.522) 6.614 1.321 ( 0.687 1.341 -1.338) 2.015 1.350 ( 5.180 -1.490 -0.780) 5.446 1.463 ( 2.510 -2.060 -0.750) 3.333 1.692 ( 0.783 1.908 0.375) 2.096 1.944 ( -0.300 -0.406 -0.243) 0.560 2.077 ( 0.951 0.897 -0.269) 1.334 2.175 ( 1.881 -0.202 -1.188) 2.234 2.427 ( 1.371 0.571 1.796) 2.330 2.704 ( -1.120 -0.234 1.553) 1.929 2.725 ( -1.088 0.025 -0.998) 1.476 2.888 ( -1.565 1.274 -0.482) 2.075 2.900 ( -1.978 0.492 -0.038) 2.038 2.922 ( -0.129 -1.165 -1.298) 1.750 3.101 ( -1.091 -0.108 -0.409) 1.170 3.247 ( -2.257 1.760 -0.151) 2.866 3.343 ( 3.394 -2.461 -1.024) 4.316 3.535 ( 2.309 -2.392 -0.040) 3.325 3.724 ( -1.661 0.330 -0.327) 1.725 3.812 ( -2.779 3.657 0.270) 4.601 3.864 ( 3.788 0.258 0.062) 3.797 3.994 ( -3.173 -3.664 0.429) 4.866 4.463 ( 0.281 0.647 0.181) 0.728 5.414 ( 6.606 0.178 -3.409) 7.436 5.944 ( -3.569 -0.015 2.531) 4.376 ======================= Grid point 269 (129/129) ======================= q-point: (-0.12 -0.12 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -9.105 -0.000 1.382) 9.209 0.580 ( -7.028 -0.000 5.220) 8.754 0.917 ( -5.148 -0.000 -2.403) 5.682 1.029 ( -8.751 -0.000 3.636) 9.476 1.221 ( -1.525 -0.000 1.521) 2.154 1.265 ( 3.637 0.000 1.328) 3.872 1.356 ( 3.338 0.000 -0.968) 3.475 1.436 ( 5.311 0.000 -0.715) 5.359 1.497 ( 3.586 0.000 -0.991) 3.721 1.704 ( -0.851 -0.000 0.617) 1.051 1.928 ( -1.336 -0.000 0.218) 1.354 2.097 ( 1.268 0.000 -1.067) 1.657 2.212 ( 3.313 0.000 -1.361) 3.582 2.456 ( 0.499 0.000 1.928) 1.991 2.685 ( -1.646 -0.000 0.850) 1.853 2.701 ( -0.832 -0.000 -1.080) 1.363 2.849 ( -2.912 -0.000 0.176) 2.918 2.856 ( -3.461 -0.000 -0.056) 3.462 2.927 ( 1.852 0.000 -2.119) 2.814 3.088 ( -0.329 -0.000 -0.550) 0.641 3.190 ( -4.145 -0.000 -0.240) 4.152 3.399 ( 4.143 0.000 -0.979) 4.257 3.569 ( 2.465 0.000 0.165) 2.471 3.701 ( -0.924 -0.000 -0.429) 1.019 3.792 ( -2.444 -0.000 1.503) 2.869 3.914 ( -3.903 -0.000 0.354) 3.919 3.935 ( 4.219 0.000 -0.544) 4.254 4.464 ( -0.376 -0.000 0.247) 0.449 5.528 ( 8.914 0.000 -4.289) 9.892 5.883 ( -5.607 -0.000 3.962) 6.865 =================== 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 3/13440 10.0 30.823 37.308 11.052 0.000 -0.602 0.000 3/13440 20.0 12.170 14.140 3.931 0.000 -0.449 0.000 3/13440 30.0 7.391 8.410 2.339 0.000 -0.326 0.000 3/13440 40.0 5.285 5.963 1.683 0.000 -0.261 0.000 3/13440 50.0 4.135 4.639 1.334 0.000 -0.229 0.000 3/13440 60.0 3.418 3.812 1.118 0.000 -0.212 0.000 3/13440 70.0 2.928 3.243 0.971 0.000 -0.201 0.000 3/13440 80.0 2.570 2.825 0.862 0.000 -0.194 0.000 3/13440 90.0 2.295 2.505 0.778 0.000 -0.187 0.000 3/13440 100.0 2.076 2.252 0.710 0.000 -0.181 0.000 3/13440 110.0 1.898 2.045 0.654 0.000 -0.175 0.000 3/13440 120.0 1.749 1.874 0.607 0.000 -0.169 0.000 3/13440 130.0 1.622 1.729 0.566 0.000 -0.163 0.000 3/13440 140.0 1.513 1.605 0.531 0.000 -0.157 0.000 3/13440 150.0 1.418 1.498 0.500 0.000 -0.152 0.000 3/13440 160.0 1.334 1.404 0.472 0.000 -0.146 0.000 3/13440 170.0 1.260 1.322 0.447 0.000 -0.141 0.000 3/13440 180.0 1.194 1.248 0.425 0.000 -0.136 0.000 3/13440 190.0 1.134 1.183 0.405 0.000 -0.132 0.000 3/13440 200.0 1.080 1.124 0.387 0.000 -0.128 0.000 3/13440 210.0 1.032 1.070 0.370 0.000 -0.123 0.000 3/13440 220.0 0.987 1.022 0.355 0.000 -0.120 0.000 3/13440 230.0 0.946 0.977 0.340 0.000 -0.116 0.000 3/13440 240.0 0.908 0.936 0.327 0.000 -0.112 0.000 3/13440 250.0 0.874 0.899 0.315 0.000 -0.109 0.000 3/13440 260.0 0.841 0.865 0.304 0.000 -0.106 0.000 3/13440 270.0 0.811 0.833 0.294 0.000 -0.103 0.000 3/13440 280.0 0.784 0.803 0.284 0.000 -0.100 0.000 3/13440 290.0 0.758 0.775 0.275 0.000 -0.098 0.000 3/13440 300.0 0.733 0.749 0.266 0.000 -0.095 0.000 3/13440 310.0 0.711 0.725 0.258 0.000 -0.093 0.000 3/13440 320.0 0.689 0.703 0.251 0.000 -0.090 0.000 3/13440 330.0 0.669 0.681 0.244 0.000 -0.088 0.000 3/13440 340.0 0.650 0.661 0.237 0.000 -0.086 0.000 3/13440 350.0 0.632 0.642 0.230 0.000 -0.084 0.000 3/13440 360.0 0.615 0.625 0.224 0.000 -0.082 0.000 3/13440 370.0 0.599 0.608 0.219 0.000 -0.080 0.000 3/13440 380.0 0.584 0.592 0.213 0.000 -0.079 0.000 3/13440 390.0 0.569 0.577 0.208 0.000 -0.077 0.000 3/13440 400.0 0.555 0.562 0.203 0.000 -0.075 0.000 3/13440 410.0 0.542 0.549 0.198 0.000 -0.074 0.000 3/13440 420.0 0.530 0.536 0.194 0.000 -0.072 0.000 3/13440 430.0 0.518 0.523 0.190 0.000 -0.071 0.000 3/13440 440.0 0.506 0.511 0.186 0.000 -0.069 0.000 3/13440 450.0 0.495 0.500 0.182 0.000 -0.068 0.000 3/13440 460.0 0.485 0.489 0.178 0.000 -0.067 0.000 3/13440 470.0 0.475 0.479 0.174 0.000 -0.066 0.000 3/13440 480.0 0.465 0.469 0.171 0.000 -0.064 0.000 3/13440 490.0 0.456 0.459 0.167 0.000 -0.063 0.000 3/13440 500.0 0.447 0.450 0.164 0.000 -0.062 0.000 3/13440 510.0 0.438 0.441 0.161 0.000 -0.061 0.000 3/13440 520.0 0.430 0.433 0.158 0.000 -0.060 0.000 3/13440 530.0 0.422 0.424 0.155 0.000 -0.059 0.000 3/13440 540.0 0.414 0.417 0.152 0.000 -0.058 0.000 3/13440 550.0 0.407 0.409 0.150 0.000 -0.057 0.000 3/13440 560.0 0.400 0.402 0.147 0.000 -0.056 0.000 3/13440 570.0 0.393 0.395 0.145 0.000 -0.055 0.000 3/13440 580.0 0.386 0.388 0.142 0.000 -0.054 0.000 3/13440 590.0 0.380 0.381 0.140 0.000 -0.054 0.000 3/13440 600.0 0.374 0.375 0.138 0.000 -0.053 0.000 3/13440 610.0 0.368 0.369 0.136 0.000 -0.052 0.000 3/13440 620.0 0.362 0.363 0.133 0.000 -0.051 0.000 3/13440 630.0 0.356 0.357 0.131 0.000 -0.051 0.000 3/13440 640.0 0.351 0.352 0.129 0.000 -0.050 0.000 3/13440 650.0 0.346 0.346 0.127 0.000 -0.049 0.000 3/13440 660.0 0.340 0.341 0.126 0.000 -0.049 0.000 3/13440 670.0 0.336 0.336 0.124 0.000 -0.048 0.000 3/13440 680.0 0.331 0.331 0.122 0.000 -0.047 0.000 3/13440 690.0 0.326 0.326 0.120 0.000 -0.047 0.000 3/13440 700.0 0.321 0.321 0.119 0.000 -0.046 0.000 3/13440 710.0 0.317 0.317 0.117 0.000 -0.045 0.000 3/13440 720.0 0.313 0.313 0.115 0.000 -0.045 0.000 3/13440 730.0 0.308 0.308 0.114 0.000 -0.044 0.000 3/13440 740.0 0.304 0.304 0.112 0.000 -0.044 0.000 3/13440 750.0 0.300 0.300 0.111 0.000 -0.043 0.000 3/13440 760.0 0.296 0.296 0.110 0.000 -0.043 0.000 3/13440 770.0 0.293 0.292 0.108 0.000 -0.042 0.000 3/13440 780.0 0.289 0.289 0.107 0.000 -0.042 0.000 3/13440 790.0 0.285 0.285 0.105 0.000 -0.041 0.000 3/13440 800.0 0.282 0.281 0.104 0.000 -0.041 0.000 3/13440 810.0 0.278 0.278 0.103 0.000 -0.040 0.000 3/13440 820.0 0.275 0.274 0.102 0.000 -0.040 0.000 3/13440 830.0 0.272 0.271 0.101 0.000 -0.039 0.000 3/13440 840.0 0.269 0.268 0.099 0.000 -0.039 0.000 3/13440 850.0 0.265 0.265 0.098 0.000 -0.038 0.000 3/13440 860.0 0.262 0.262 0.097 0.000 -0.038 0.000 3/13440 870.0 0.259 0.259 0.096 0.000 -0.038 0.000 3/13440 880.0 0.257 0.256 0.095 0.000 -0.037 0.000 3/13440 890.0 0.254 0.253 0.094 0.000 -0.037 0.000 3/13440 900.0 0.251 0.250 0.093 0.000 -0.036 0.000 3/13440 910.0 0.248 0.247 0.092 0.000 -0.036 0.000 3/13440 920.0 0.246 0.245 0.091 0.000 -0.036 0.000 3/13440 930.0 0.243 0.242 0.090 0.000 -0.035 0.000 3/13440 940.0 0.240 0.239 0.089 0.000 -0.035 0.000 3/13440 950.0 0.238 0.237 0.088 0.000 -0.035 0.000 3/13440 960.0 0.235 0.234 0.087 0.000 -0.034 0.000 3/13440 970.0 0.233 0.232 0.086 0.000 -0.034 0.000 3/13440 980.0 0.231 0.230 0.085 0.000 -0.034 0.000 3/13440 990.0 0.228 0.227 0.085 0.000 -0.033 0.000 3/13440 1000.0 0.226 0.225 0.084 0.000 -0.033 0.000 3/13440 Thermal conductivity related properties were written into "kappa-m887.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:31:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|