----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:43:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.316327810223826 -5.681689200000000 0.000000000000000 b 3.316327810223826 5.681689200000000 0.000000000000000 c -2.195047703159949 0.000000000000000 6.161244037753601 Atomic positions (fractional): *1 Sc 0.91373226409880 0.08626773590120 0.75000000000000 44.956 2 Sc 0.08626773590120 0.91373226409880 0.25000000000000 44.956 *3 Sc 0.74778550139344 0.25221449860656 0.25000000000000 44.956 4 Sc 0.25221449860656 0.74778550139344 0.75000000000000 44.956 *5 Se 0.15830816229591 0.32786939030371 0.50026014430385 78.960 6 Se 0.84169183770409 0.67213060969629 0.49973985569615 78.960 *7 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 8 Se 0.67213060969629 0.84169183770409 0.99973985569615 78.960 9 Se 0.32786939030371 0.15830816229591 0.00026014430384 78.960 10 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.632655620447652 0.000000000000000 0.000000000000000 b 0.000000000000000 11.363378400000000 0.000000000000000 c -2.195047703159949 0.000000000000000 6.161244037753601 Atomic positions (fractional): *1 Sc 0.50000000000000 0.58626773590120 0.75000000000000 44.956 > 1 2 Sc 0.50000000000000 0.41373226409880 0.25000000000000 44.956 > 2 *3 Sc 0.50000000000000 0.75221449860656 0.25000000000000 44.956 > 3 4 Sc 0.50000000000000 0.24778550139344 0.75000000000000 44.956 > 4 5 Sc 0.00000000000000 0.08626773590120 0.75000000000000 44.956 > 1 6 Sc 0.00000000000000 0.91373226409880 0.25000000000000 44.956 > 2 7 Sc 0.00000000000000 0.25221449860656 0.25000000000000 44.956 > 3 8 Sc 0.00000000000000 0.74778550139344 0.75000000000000 44.956 > 4 *9 Se 0.24308877629981 0.08478061400390 0.50026014430385 78.960 > 5 10 Se 0.75691122370019 0.91521938599610 0.49973985569615 78.960 > 6 *11 Se 0.75000000000000 0.25000000000000 0.50000000000000 78.960 > 7 12 Se 0.75691122370019 0.08478061400390 0.99973985569615 78.960 > 8 13 Se 0.24308877629981 0.91521938599610 0.00026014430384 78.960 > 9 14 Se 0.75000000000000 0.75000000000000 0.00000000000000 78.960 > 10 15 Se 0.74308877629981 0.58478061400390 0.50026014430385 78.960 > 5 16 Se 0.25691122370019 0.41521938599610 0.49973985569615 78.960 > 6 17 Se 0.25000000000000 0.75000000000000 0.50000000000000 78.960 > 7 18 Se 0.25691122370019 0.58478061400390 0.99973985569615 78.960 > 8 19 Se 0.74308877629981 0.41521938599610 0.00026014430384 78.960 > 9 20 Se 0.25000000000000 0.25000000000000 0.00000000000000 78.960 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.265311240895304 0.000000000000000 0.000000000000000 b 0.000000000000000 11.363378400000000 0.000000000000000 c -4.390095406319898 0.000000000000000 12.322488075507202 Atomic positions (fractional): *1 Sc 0.25000000000000 0.58626773590120 0.37500000000000 44.956 > 1 2 Sc 0.75000000000000 0.58626773590120 0.37500000000000 44.956 > 1 3 Sc 0.25000000000000 0.58626773590120 0.87500000000000 44.956 > 1 4 Sc 0.75000000000000 0.58626773590120 0.87500000000000 44.956 > 1 5 Sc 0.25000000000000 0.41373226409880 0.12500000000000 44.956 > 2 6 Sc 0.75000000000000 0.41373226409880 0.12500000000000 44.956 > 2 7 Sc 0.25000000000000 0.41373226409880 0.62500000000000 44.956 > 2 8 Sc 0.75000000000000 0.41373226409880 0.62500000000000 44.956 > 2 *9 Sc 0.25000000000000 0.75221449860656 0.12500000000000 44.956 > 3 10 Sc 0.75000000000000 0.75221449860656 0.12500000000000 44.956 > 3 11 Sc 0.25000000000000 0.75221449860656 0.62500000000000 44.956 > 3 12 Sc 0.75000000000000 0.75221449860656 0.62500000000000 44.956 > 3 13 Sc 0.25000000000000 0.24778550139344 0.37500000000000 44.956 > 4 14 Sc 0.75000000000000 0.24778550139344 0.37500000000000 44.956 > 4 15 Sc 0.25000000000000 0.24778550139344 0.87500000000000 44.956 > 4 16 Sc 0.75000000000000 0.24778550139344 0.87500000000000 44.956 > 4 17 Sc 0.00000000000000 0.08626773590120 0.37500000000000 44.956 > 1 18 Sc 0.50000000000000 0.08626773590120 0.37500000000000 44.956 > 1 19 Sc 0.00000000000000 0.08626773590120 0.87500000000000 44.956 > 1 20 Sc 0.50000000000000 0.08626773590120 0.87500000000000 44.956 > 1 21 Sc 0.00000000000000 0.91373226409880 0.12500000000000 44.956 > 2 22 Sc 0.50000000000000 0.91373226409880 0.12500000000000 44.956 > 2 23 Sc 0.00000000000000 0.91373226409880 0.62500000000000 44.956 > 2 24 Sc 0.50000000000000 0.91373226409880 0.62500000000000 44.956 > 2 25 Sc 0.00000000000000 0.25221449860656 0.12500000000000 44.956 > 3 26 Sc 0.50000000000000 0.25221449860656 0.12500000000000 44.956 > 3 27 Sc 0.00000000000000 0.25221449860656 0.62500000000000 44.956 > 3 28 Sc 0.50000000000000 0.25221449860656 0.62500000000000 44.956 > 3 29 Sc 0.00000000000000 0.74778550139344 0.37500000000000 44.956 > 4 30 Sc 0.50000000000000 0.74778550139344 0.37500000000000 44.956 > 4 31 Sc 0.00000000000000 0.74778550139344 0.87500000000000 44.956 > 4 32 Sc 0.50000000000000 0.74778550139344 0.87500000000000 44.956 > 4 *33 Se 0.12154438814990 0.08478061400390 0.25013007215192 78.960 > 5 34 Se 0.62154438814990 0.08478061400390 0.25013007215192 78.960 > 5 35 Se 0.12154438814990 0.08478061400390 0.75013007215192 78.960 > 5 36 Se 0.62154438814990 0.08478061400390 0.75013007215192 78.960 > 5 37 Se 0.37845561185010 0.91521938599610 0.24986992784808 78.960 > 6 38 Se 0.87845561185010 0.91521938599610 0.24986992784808 78.960 > 6 39 Se 0.37845561185010 0.91521938599610 0.74986992784808 78.960 > 6 40 Se 0.87845561185010 0.91521938599610 0.74986992784808 78.960 > 6 *41 Se 0.37500000000000 0.25000000000000 0.25000000000000 78.960 > 7 42 Se 0.87500000000000 0.25000000000000 0.25000000000000 78.960 > 7 43 Se 0.37500000000000 0.25000000000000 0.75000000000000 78.960 > 7 44 Se 0.87500000000000 0.25000000000000 0.75000000000000 78.960 > 7 45 Se 0.37845561185010 0.08478061400390 0.49986992784808 78.960 > 8 46 Se 0.87845561185010 0.08478061400390 0.49986992784808 78.960 > 8 47 Se 0.37845561185010 0.08478061400390 0.99986992784808 78.960 > 8 48 Se 0.87845561185010 0.08478061400390 0.99986992784808 78.960 > 8 49 Se 0.12154438814990 0.91521938599610 0.00013007215192 78.960 > 9 50 Se 0.62154438814990 0.91521938599610 0.00013007215192 78.960 > 9 51 Se 0.12154438814990 0.91521938599610 0.50013007215192 78.960 > 9 52 Se 0.62154438814990 0.91521938599610 0.50013007215192 78.960 > 9 53 Se 0.37500000000000 0.75000000000000 0.00000000000000 78.960 > 10 54 Se 0.87500000000000 0.75000000000000 0.00000000000000 78.960 > 10 55 Se 0.37500000000000 0.75000000000000 0.50000000000000 78.960 > 10 56 Se 0.87500000000000 0.75000000000000 0.50000000000000 78.960 > 10 57 Se 0.37154438814990 0.58478061400390 0.25013007215192 78.960 > 5 58 Se 0.87154438814990 0.58478061400390 0.25013007215192 78.960 > 5 59 Se 0.37154438814990 0.58478061400390 0.75013007215192 78.960 > 5 60 Se 0.87154438814990 0.58478061400390 0.75013007215192 78.960 > 5 61 Se 0.12845561185009 0.41521938599610 0.24986992784808 78.960 > 6 62 Se 0.62845561185010 0.41521938599610 0.24986992784808 78.960 > 6 63 Se 0.12845561185009 0.41521938599610 0.74986992784808 78.960 > 6 64 Se 0.62845561185010 0.41521938599610 0.74986992784808 78.960 > 6 65 Se 0.12500000000000 0.75000000000000 0.25000000000000 78.960 > 7 66 Se 0.62500000000000 0.75000000000000 0.25000000000000 78.960 > 7 67 Se 0.12500000000000 0.75000000000000 0.75000000000000 78.960 > 7 68 Se 0.62500000000000 0.75000000000000 0.75000000000000 78.960 > 7 69 Se 0.12845561185009 0.58478061400390 0.49986992784808 78.960 > 8 70 Se 0.62845561185010 0.58478061400390 0.49986992784808 78.960 > 8 71 Se 0.12845561185009 0.58478061400390 0.99986992784808 78.960 > 8 72 Se 0.62845561185010 0.58478061400390 0.99986992784808 78.960 > 8 73 Se 0.37154438814990 0.41521938599610 0.00013007215192 78.960 > 9 74 Se 0.87154438814990 0.41521938599610 0.00013007215192 78.960 > 9 75 Se 0.37154438814990 0.41521938599610 0.50013007215192 78.960 > 9 76 Se 0.87154438814990 0.41521938599610 0.50013007215192 78.960 > 9 77 Se 0.12500000000000 0.25000000000000 0.00000000000000 78.960 > 10 78 Se 0.62500000000000 0.25000000000000 0.00000000000000 78.960 > 10 79 Se 0.12500000000000 0.25000000000000 0.50000000000000 78.960 > 10 80 Se 0.62500000000000 0.25000000000000 0.50000000000000 78.960 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9988613 0.0000000 0.0646983 0.0000000 11.0703138 0.0000000 0.0647020 0.0000000 11.9540031 -------------------------- Born effective charges -------------------------- 1 Sc 3.1908809 0.0000000 0.3189116 0.0000000 5.2576615 0.0000000 0.3388937 0.0000000 4.7042318 2 Sc 3.1908809 0.0000000 0.3189116 0.0000000 5.2576615 0.0000000 0.3388937 0.0000000 4.7042318 3 Sc 5.0094677 0.0000000 -0.1929099 0.0000000 3.3928713 0.0000000 -0.0247984 0.0000000 4.6592377 4 Sc 5.0094677 0.0000000 -0.1929099 0.0000000 3.3928713 0.0000000 -0.0247984 0.0000000 4.6592377 5 Se -2.2512852 -0.7223310 -0.4627093 -0.7088716 -3.0580332 -0.6962304 -0.5433401 -0.6780677 -3.1340794 6 Se -2.2512852 -0.7223310 -0.4627093 -0.7088716 -3.0580332 -0.6962304 -0.5433401 -0.6780677 -3.1340794 7 Se -3.6977782 0.9284448 0.7994168 0.8326158 -2.5344664 1.3879795 0.7725849 1.4063242 -3.0953108 8 Se -2.2512852 0.7223310 -0.4627093 0.7088716 -3.0580332 0.6962304 -0.5433401 0.6780677 -3.1340794 9 Se -2.2512852 0.7223310 -0.4627093 0.7088716 -3.0580332 0.6962304 -0.5433401 0.6780677 -3.1340794 10 Se -3.6977782 -0.9284448 0.7994168 -0.8326158 -2.5344664 -1.3879795 0.7725849 -1.4063242 -3.0953108 ---------------------------------------------------------------------------- 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: 4656/4656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 988 Number of blocks in projector: 988 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: 210 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 130 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 130 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 130 Use standard eigh solver. Tree of FC basis block matrices: - (988, 961), data: False |-- (130, 126), data: True |-- (130, 126), data: True |-- (130, 126), data: True |-- (194, 190), data: True |-- (194, 190), data: True |-- (210, 203), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.716 Solver_block: 200 / 320 - Time: 0.724 Solver_block: 300 / 320 - Time: 0.724 Solver_block: 320 / 320 - Time: 0.181 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.361 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 4656/4656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 988 Number of blocks in projector: 988 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: 210 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 130 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 130 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 130 Use standard eigh solver. Tree of FC basis block matrices: - (988, 961), data: False |-- (130, 126), data: True |-- (130, 126), data: True |-- (130, 126), data: True |-- (194, 190), data: True |-- (194, 190), data: True |-- (210, 203), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:43:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:43:46]------------------------- 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/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.316327810223826 -5.681689200000000 0.000000000000000 b 3.316327810223826 5.681689200000000 0.000000000000000 c -2.195047703159949 0.000000000000000 6.161244037753601 Atomic positions (fractional): 1 Sc 0.91373226409880 0.08626773590120 0.75000000000000 44.956 2 Sc 0.08626773590120 0.91373226409880 0.25000000000000 44.956 3 Sc 0.74778550139344 0.25221449860656 0.25000000000000 44.956 4 Sc 0.25221449860656 0.74778550139344 0.75000000000000 44.956 5 Se 0.15830816229591 0.32786939030371 0.50026014430385 78.960 6 Se 0.84169183770409 0.67213060969629 0.49973985569615 78.960 7 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 8 Se 0.67213060969629 0.84169183770409 0.99973985569615 78.960 9 Se 0.32786939030371 0.15830816229591 0.00026014430384 78.960 10 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.265311240895304 0.000000000000000 0.000000000000000 b 0.000000000000000 11.363378400000000 0.000000000000000 c -4.390095406319898 0.000000000000000 12.322488075507202 Atomic positions (fractional): 1 Sc 0.25000000000000 0.58626773590120 0.37500000000000 44.956 > 1 2 Sc 0.75000000000000 0.58626773590120 0.37500000000000 44.956 > 1 3 Sc 0.25000000000000 0.58626773590120 0.87500000000000 44.956 > 1 4 Sc 0.75000000000000 0.58626773590120 0.87500000000000 44.956 > 1 5 Sc 0.25000000000000 0.41373226409880 0.12500000000000 44.956 > 5 6 Sc 0.75000000000000 0.41373226409880 0.12500000000000 44.956 > 5 7 Sc 0.25000000000000 0.41373226409880 0.62500000000000 44.956 > 5 8 Sc 0.75000000000000 0.41373226409880 0.62500000000000 44.956 > 5 9 Sc 0.25000000000000 0.75221449860656 0.12500000000000 44.956 > 9 10 Sc 0.75000000000000 0.75221449860656 0.12500000000000 44.956 > 9 11 Sc 0.25000000000000 0.75221449860656 0.62500000000000 44.956 > 9 12 Sc 0.75000000000000 0.75221449860656 0.62500000000000 44.956 > 9 13 Sc 0.25000000000000 0.24778550139344 0.37500000000000 44.956 > 13 14 Sc 0.75000000000000 0.24778550139344 0.37500000000000 44.956 > 13 15 Sc 0.25000000000000 0.24778550139344 0.87500000000000 44.956 > 13 16 Sc 0.75000000000000 0.24778550139344 0.87500000000000 44.956 > 13 17 Sc 0.00000000000000 0.08626773590120 0.37500000000000 44.956 > 1 18 Sc 0.50000000000000 0.08626773590120 0.37500000000000 44.956 > 1 19 Sc 0.00000000000000 0.08626773590120 0.87500000000000 44.956 > 1 20 Sc 0.50000000000000 0.08626773590120 0.87500000000000 44.956 > 1 21 Sc 0.00000000000000 0.91373226409880 0.12500000000000 44.956 > 5 22 Sc 0.50000000000000 0.91373226409880 0.12500000000000 44.956 > 5 23 Sc 0.00000000000000 0.91373226409880 0.62500000000000 44.956 > 5 24 Sc 0.50000000000000 0.91373226409880 0.62500000000000 44.956 > 5 25 Sc 0.00000000000000 0.25221449860656 0.12500000000000 44.956 > 9 26 Sc 0.50000000000000 0.25221449860656 0.12500000000000 44.956 > 9 27 Sc 0.00000000000000 0.25221449860656 0.62500000000000 44.956 > 9 28 Sc 0.50000000000000 0.25221449860656 0.62500000000000 44.956 > 9 29 Sc 0.00000000000000 0.74778550139344 0.37500000000000 44.956 > 13 30 Sc 0.50000000000000 0.74778550139344 0.37500000000000 44.956 > 13 31 Sc 0.00000000000000 0.74778550139344 0.87500000000000 44.956 > 13 32 Sc 0.50000000000000 0.74778550139344 0.87500000000000 44.956 > 13 33 Se 0.12154438814990 0.08478061400390 0.25013007215192 78.960 > 33 34 Se 0.62154438814990 0.08478061400390 0.25013007215192 78.960 > 33 35 Se 0.12154438814990 0.08478061400390 0.75013007215192 78.960 > 33 36 Se 0.62154438814990 0.08478061400390 0.75013007215192 78.960 > 33 37 Se 0.37845561185010 0.91521938599610 0.24986992784808 78.960 > 37 38 Se 0.87845561185010 0.91521938599610 0.24986992784808 78.960 > 37 39 Se 0.37845561185010 0.91521938599610 0.74986992784808 78.960 > 37 40 Se 0.87845561185010 0.91521938599610 0.74986992784808 78.960 > 37 41 Se 0.37500000000000 0.25000000000000 0.25000000000000 78.960 > 41 42 Se 0.87500000000000 0.25000000000000 0.25000000000000 78.960 > 41 43 Se 0.37500000000000 0.25000000000000 0.75000000000000 78.960 > 41 44 Se 0.87500000000000 0.25000000000000 0.75000000000000 78.960 > 41 45 Se 0.37845561185010 0.08478061400390 0.49986992784808 78.960 > 45 46 Se 0.87845561185010 0.08478061400390 0.49986992784808 78.960 > 45 47 Se 0.37845561185010 0.08478061400390 0.99986992784808 78.960 > 45 48 Se 0.87845561185010 0.08478061400390 0.99986992784808 78.960 > 45 49 Se 0.12154438814990 0.91521938599610 0.00013007215192 78.960 > 49 50 Se 0.62154438814990 0.91521938599610 0.00013007215192 78.960 > 49 51 Se 0.12154438814990 0.91521938599610 0.50013007215192 78.960 > 49 52 Se 0.62154438814990 0.91521938599610 0.50013007215192 78.960 > 49 53 Se 0.37500000000000 0.75000000000000 0.00000000000000 78.960 > 53 54 Se 0.87500000000000 0.75000000000000 0.00000000000000 78.960 > 53 55 Se 0.37500000000000 0.75000000000000 0.50000000000000 78.960 > 53 56 Se 0.87500000000000 0.75000000000000 0.50000000000000 78.960 > 53 57 Se 0.37154438814990 0.58478061400390 0.25013007215192 78.960 > 33 58 Se 0.87154438814990 0.58478061400390 0.25013007215192 78.960 > 33 59 Se 0.37154438814990 0.58478061400390 0.75013007215192 78.960 > 33 60 Se 0.87154438814990 0.58478061400390 0.75013007215192 78.960 > 33 61 Se 0.12845561185009 0.41521938599610 0.24986992784808 78.960 > 37 62 Se 0.62845561185010 0.41521938599610 0.24986992784808 78.960 > 37 63 Se 0.12845561185009 0.41521938599610 0.74986992784808 78.960 > 37 64 Se 0.62845561185010 0.41521938599610 0.74986992784808 78.960 > 37 65 Se 0.12500000000000 0.75000000000000 0.25000000000000 78.960 > 41 66 Se 0.62500000000000 0.75000000000000 0.25000000000000 78.960 > 41 67 Se 0.12500000000000 0.75000000000000 0.75000000000000 78.960 > 41 68 Se 0.62500000000000 0.75000000000000 0.75000000000000 78.960 > 41 69 Se 0.12845561185009 0.58478061400390 0.49986992784808 78.960 > 45 70 Se 0.62845561185010 0.58478061400390 0.49986992784808 78.960 > 45 71 Se 0.12845561185009 0.58478061400390 0.99986992784808 78.960 > 45 72 Se 0.62845561185010 0.58478061400390 0.99986992784808 78.960 > 45 73 Se 0.37154438814990 0.41521938599610 0.00013007215192 78.960 > 49 74 Se 0.87154438814990 0.41521938599610 0.00013007215192 78.960 > 49 75 Se 0.37154438814990 0.41521938599610 0.50013007215192 78.960 > 49 76 Se 0.87154438814990 0.41521938599610 0.50013007215192 78.960 > 49 77 Se 0.12500000000000 0.25000000000000 0.00000000000000 78.960 > 53 78 Se 0.62500000000000 0.25000000000000 0.00000000000000 78.960 > 53 79 Se 0.12500000000000 0.25000000000000 0.50000000000000 78.960 > 53 80 Se 0.62500000000000 0.25000000000000 0.50000000000000 78.960 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9988613 0.0000000 0.0646983 0.0000000 11.0703138 0.0000000 0.0647020 0.0000000 11.9540031 -------------------------- Born effective charges -------------------------- 1 Sc 3.1908809 0.0000000 0.3189116 0.0000000 5.2576615 0.0000000 0.3388937 0.0000000 4.7042318 2 Sc 3.1908809 0.0000000 0.3189116 0.0000000 5.2576615 0.0000000 0.3388937 0.0000000 4.7042318 3 Sc 5.0094677 0.0000000 -0.1929099 0.0000000 3.3928713 0.0000000 -0.0247984 0.0000000 4.6592377 4 Sc 5.0094677 0.0000000 -0.1929099 0.0000000 3.3928713 0.0000000 -0.0247984 0.0000000 4.6592377 5 Se -2.2512852 -0.7223310 -0.4627093 -0.7088716 -3.0580332 -0.6962304 -0.5433401 -0.6780677 -3.1340794 6 Se -2.2512852 -0.7223310 -0.4627093 -0.7088716 -3.0580332 -0.6962304 -0.5433401 -0.6780677 -3.1340794 7 Se -3.6977782 0.9284448 0.7994168 0.8326158 -2.5344664 1.3879795 0.7725849 1.4063242 -3.0953108 8 Se -2.2512852 0.7223310 -0.4627093 0.7088716 -3.0580332 0.6962304 -0.5433401 0.6780677 -3.1340794 9 Se -2.2512852 0.7223310 -0.4627093 0.7088716 -3.0580332 0.6962304 -0.5433401 0.6780677 -3.1340794 10 Se -3.6977782 -0.9284448 0.7994168 -0.8326158 -2.5344664 -1.3879795 0.7725849 -1.4063242 -3.0953108 ---------------------------------------------------------------------------- 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Computing fc3[ 41, 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] [-0.0034 0.0000 0.0094] [ 0.0034 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:43:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:43:56]------------------------- 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/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.316327810223826 -5.681689200000000 0.000000000000000 b 3.316327810223826 5.681689200000000 0.000000000000000 c -2.195047703159949 0.000000000000000 6.161244037753601 Atomic positions (fractional): 1 Sc 0.91373226409880 0.08626773590120 0.75000000000000 44.956 2 Sc 0.08626773590120 0.91373226409880 0.25000000000000 44.956 3 Sc 0.74778550139344 0.25221449860656 0.25000000000000 44.956 4 Sc 0.25221449860656 0.74778550139344 0.75000000000000 44.956 5 Se 0.15830816229591 0.32786939030371 0.50026014430385 78.960 6 Se 0.84169183770409 0.67213060969629 0.49973985569615 78.960 7 Se 0.50000000000000 0.00000000000000 0.50000000000000 78.960 8 Se 0.67213060969629 0.84169183770409 0.99973985569615 78.960 9 Se 0.32786939030371 0.15830816229591 0.00026014430384 78.960 10 Se 0.00000000000000 0.50000000000000 0.00000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.265311240895304 0.000000000000000 0.000000000000000 b 0.000000000000000 11.363378400000000 0.000000000000000 c -4.390095406319898 0.000000000000000 12.322488075507202 Atomic positions (fractional): 1 Sc 0.25000000000000 0.58626773590120 0.37500000000000 44.956 > 1 2 Sc 0.75000000000000 0.58626773590120 0.37500000000000 44.956 > 1 3 Sc 0.25000000000000 0.58626773590120 0.87500000000000 44.956 > 1 4 Sc 0.75000000000000 0.58626773590120 0.87500000000000 44.956 > 1 5 Sc 0.25000000000000 0.41373226409880 0.12500000000000 44.956 > 5 6 Sc 0.75000000000000 0.41373226409880 0.12500000000000 44.956 > 5 7 Sc 0.25000000000000 0.41373226409880 0.62500000000000 44.956 > 5 8 Sc 0.75000000000000 0.41373226409880 0.62500000000000 44.956 > 5 9 Sc 0.25000000000000 0.75221449860656 0.12500000000000 44.956 > 9 10 Sc 0.75000000000000 0.75221449860656 0.12500000000000 44.956 > 9 11 Sc 0.25000000000000 0.75221449860656 0.62500000000000 44.956 > 9 12 Sc 0.75000000000000 0.75221449860656 0.62500000000000 44.956 > 9 13 Sc 0.25000000000000 0.24778550139344 0.37500000000000 44.956 > 13 14 Sc 0.75000000000000 0.24778550139344 0.37500000000000 44.956 > 13 15 Sc 0.25000000000000 0.24778550139344 0.87500000000000 44.956 > 13 16 Sc 0.75000000000000 0.24778550139344 0.87500000000000 44.956 > 13 17 Sc 0.00000000000000 0.08626773590120 0.37500000000000 44.956 > 1 18 Sc 0.50000000000000 0.08626773590120 0.37500000000000 44.956 > 1 19 Sc 0.00000000000000 0.08626773590120 0.87500000000000 44.956 > 1 20 Sc 0.50000000000000 0.08626773590120 0.87500000000000 44.956 > 1 21 Sc 0.00000000000000 0.91373226409880 0.12500000000000 44.956 > 5 22 Sc 0.50000000000000 0.91373226409880 0.12500000000000 44.956 > 5 23 Sc 0.00000000000000 0.91373226409880 0.62500000000000 44.956 > 5 24 Sc 0.50000000000000 0.91373226409880 0.62500000000000 44.956 > 5 25 Sc 0.00000000000000 0.25221449860656 0.12500000000000 44.956 > 9 26 Sc 0.50000000000000 0.25221449860656 0.12500000000000 44.956 > 9 27 Sc 0.00000000000000 0.25221449860656 0.62500000000000 44.956 > 9 28 Sc 0.50000000000000 0.25221449860656 0.62500000000000 44.956 > 9 29 Sc 0.00000000000000 0.74778550139344 0.37500000000000 44.956 > 13 30 Sc 0.50000000000000 0.74778550139344 0.37500000000000 44.956 > 13 31 Sc 0.00000000000000 0.74778550139344 0.87500000000000 44.956 > 13 32 Sc 0.50000000000000 0.74778550139344 0.87500000000000 44.956 > 13 33 Se 0.12154438814990 0.08478061400390 0.25013007215192 78.960 > 33 34 Se 0.62154438814990 0.08478061400390 0.25013007215192 78.960 > 33 35 Se 0.12154438814990 0.08478061400390 0.75013007215192 78.960 > 33 36 Se 0.62154438814990 0.08478061400390 0.75013007215192 78.960 > 33 37 Se 0.37845561185010 0.91521938599610 0.24986992784808 78.960 > 37 38 Se 0.87845561185010 0.91521938599610 0.24986992784808 78.960 > 37 39 Se 0.37845561185010 0.91521938599610 0.74986992784808 78.960 > 37 40 Se 0.87845561185010 0.91521938599610 0.74986992784808 78.960 > 37 41 Se 0.37500000000000 0.25000000000000 0.25000000000000 78.960 > 41 42 Se 0.87500000000000 0.25000000000000 0.25000000000000 78.960 > 41 43 Se 0.37500000000000 0.25000000000000 0.75000000000000 78.960 > 41 44 Se 0.87500000000000 0.25000000000000 0.75000000000000 78.960 > 41 45 Se 0.37845561185010 0.08478061400390 0.49986992784808 78.960 > 45 46 Se 0.87845561185010 0.08478061400390 0.49986992784808 78.960 > 45 47 Se 0.37845561185010 0.08478061400390 0.99986992784808 78.960 > 45 48 Se 0.87845561185010 0.08478061400390 0.99986992784808 78.960 > 45 49 Se 0.12154438814990 0.91521938599610 0.00013007215192 78.960 > 49 50 Se 0.62154438814990 0.91521938599610 0.00013007215192 78.960 > 49 51 Se 0.12154438814990 0.91521938599610 0.50013007215192 78.960 > 49 52 Se 0.62154438814990 0.91521938599610 0.50013007215192 78.960 > 49 53 Se 0.37500000000000 0.75000000000000 0.00000000000000 78.960 > 53 54 Se 0.87500000000000 0.75000000000000 0.00000000000000 78.960 > 53 55 Se 0.37500000000000 0.75000000000000 0.50000000000000 78.960 > 53 56 Se 0.87500000000000 0.75000000000000 0.50000000000000 78.960 > 53 57 Se 0.37154438814990 0.58478061400390 0.25013007215192 78.960 > 33 58 Se 0.87154438814990 0.58478061400390 0.25013007215192 78.960 > 33 59 Se 0.37154438814990 0.58478061400390 0.75013007215192 78.960 > 33 60 Se 0.87154438814990 0.58478061400390 0.75013007215192 78.960 > 33 61 Se 0.12845561185009 0.41521938599610 0.24986992784808 78.960 > 37 62 Se 0.62845561185010 0.41521938599610 0.24986992784808 78.960 > 37 63 Se 0.12845561185009 0.41521938599610 0.74986992784808 78.960 > 37 64 Se 0.62845561185010 0.41521938599610 0.74986992784808 78.960 > 37 65 Se 0.12500000000000 0.75000000000000 0.25000000000000 78.960 > 41 66 Se 0.62500000000000 0.75000000000000 0.25000000000000 78.960 > 41 67 Se 0.12500000000000 0.75000000000000 0.75000000000000 78.960 > 41 68 Se 0.62500000000000 0.75000000000000 0.75000000000000 78.960 > 41 69 Se 0.12845561185009 0.58478061400390 0.49986992784808 78.960 > 45 70 Se 0.62845561185010 0.58478061400390 0.49986992784808 78.960 > 45 71 Se 0.12845561185009 0.58478061400390 0.99986992784808 78.960 > 45 72 Se 0.62845561185010 0.58478061400390 0.99986992784808 78.960 > 45 73 Se 0.37154438814990 0.41521938599610 0.00013007215192 78.960 > 49 74 Se 0.87154438814990 0.41521938599610 0.00013007215192 78.960 > 49 75 Se 0.37154438814990 0.41521938599610 0.50013007215192 78.960 > 49 76 Se 0.87154438814990 0.41521938599610 0.50013007215192 78.960 > 49 77 Se 0.12500000000000 0.25000000000000 0.00000000000000 78.960 > 53 78 Se 0.62500000000000 0.25000000000000 0.00000000000000 78.960 > 53 79 Se 0.12500000000000 0.25000000000000 0.50000000000000 78.960 > 53 80 Se 0.62500000000000 0.25000000000000 0.50000000000000 78.960 > 53 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.9988613 0.0000000 0.0646983 0.0000000 11.0703138 0.0000000 0.0647020 0.0000000 11.9540031 -------------------------- Born effective charges -------------------------- 1 Sc 3.1908809 0.0000000 0.3189116 0.0000000 5.2576615 0.0000000 0.3388937 0.0000000 4.7042318 2 Sc 3.1908809 0.0000000 0.3189116 0.0000000 5.2576615 0.0000000 0.3388937 0.0000000 4.7042318 3 Sc 5.0094677 0.0000000 -0.1929099 0.0000000 3.3928713 0.0000000 -0.0247984 0.0000000 4.6592377 4 Sc 5.0094677 0.0000000 -0.1929099 0.0000000 3.3928713 0.0000000 -0.0247984 0.0000000 4.6592377 5 Se -2.2512852 -0.7223310 -0.4627093 -0.7088716 -3.0580332 -0.6962304 -0.5433401 -0.6780677 -3.1340794 6 Se -2.2512852 -0.7223310 -0.4627093 -0.7088716 -3.0580332 -0.6962304 -0.5433401 -0.6780677 -3.1340794 7 Se -3.6977782 0.9284448 0.7994168 0.8326158 -2.5344664 1.3879795 0.7725849 1.4063242 -3.0953108 8 Se -2.2512852 0.7223310 -0.4627093 0.7088716 -3.0580332 0.6962304 -0.5433401 0.6780677 -3.1340794 9 Se -2.2512852 0.7223310 -0.4627093 0.7088716 -3.0580332 0.6962304 -0.5433401 0.6780677 -3.1340794 10 Se -3.6977782 -0.9284448 0.7994168 -0.8326158 -2.5344664 -1.3879795 0.7725849 -1.4063242 -3.0953108 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yyy) 0.00000007 (yyy) 0.00000007 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 8 ] 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: 0.68, Number of G-points: 315, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/185) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 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 1.812 ( 0.000 0.000 0.000) 0.000 2.418 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.299 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.924 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/185) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 20.322 9.112 18.752) 29.115 0.607 ( 30.065 -10.556 -3.136) 32.018 0.929 ( 27.458 -31.095 22.494) 47.189 1.851 ( 0.591 0.197 4.897) 4.936 2.421 ( -2.256 -1.344 -0.374) 2.652 3.015 ( -0.052 4.235 -1.798) 4.601 3.140 ( -5.513 1.610 -6.630) 8.772 3.263 ( -2.517 1.060 -0.197) 2.738 3.384 ( 6.774 -0.052 -7.574) 10.161 3.722 ( -1.267 10.491 -2.119) 10.778 3.882 ( -2.661 -5.538 -1.442) 6.311 4.155 ( 4.430 -4.212 2.739) 6.699 4.298 ( 0.127 -0.095 -0.613) 0.633 4.348 ( -1.446 -1.047 0.577) 1.876 4.668 ( -1.077 -1.183 -5.312) 5.548 4.883 ( -10.161 -0.367 -2.387) 10.444 5.287 ( -8.313 1.190 5.808) 10.210 5.373 ( 1.875 7.236 1.698) 7.666 5.693 ( 2.729 -1.950 0.008) 3.354 5.777 ( 5.177 2.608 -0.060) 5.797 5.854 ( 5.914 7.572 3.639) 10.274 6.101 ( 0.572 -3.427 4.536) 5.714 6.211 ( 5.095 -4.646 -0.457) 6.911 6.454 ( -0.675 0.604 -0.275) 0.946 6.650 ( 0.352 2.031 -3.565) 4.118 7.307 ( -11.846 -11.971 22.579) 28.168 7.408 ( -1.663 3.007 1.964) 3.958 7.743 ( -1.109 -1.463 -3.339) 3.810 8.929 ( -3.444 6.771 3.795) 8.492 9.110 ( -2.967 -2.877 -1.013) 4.255 ======================= Grid point 2 (3/185) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 18.566 6.600 15.281) 24.935 1.153 ( 24.517 -9.528 -2.306) 26.404 1.712 ( 19.114 -14.303 11.129) 26.339 1.954 ( 5.262 -11.067 12.317) 17.375 2.401 ( -0.666 -1.542 2.061) 2.659 2.948 ( 0.250 6.022 -3.717) 7.081 2.994 ( -5.009 1.941 -4.005) 6.700 3.173 ( -5.868 1.590 -1.764) 6.330 3.460 ( 7.283 -1.566 -8.897) 11.604 3.575 ( -2.005 6.138 -3.956) 7.572 3.925 ( 1.030 -2.372 1.843) 3.176 4.250 ( 0.852 -0.350 6.129) 6.198 4.287 ( -2.470 -0.270 -2.964) 3.868 4.333 ( -0.796 -1.650 -1.913) 2.648 4.570 ( -2.024 4.763 -5.470) 7.530 4.771 ( -5.151 -5.621 -3.508) 8.393 5.177 ( -5.390 6.819 10.057) 13.293 5.303 ( -1.359 8.121 0.854) 8.278 5.714 ( -2.141 -0.299 2.794) 3.533 5.755 ( 1.090 6.782 4.205) 8.054 6.031 ( 6.522 -3.275 7.671) 10.588 6.142 ( -0.202 -3.194 0.938) 3.334 6.347 ( 1.717 -4.915 1.166) 5.336 6.429 ( -0.339 0.581 -1.788) 1.910 6.630 ( 5.133 1.889 -7.408) 9.209 7.346 ( -2.330 5.704 2.079) 6.503 7.385 ( -3.580 -6.379 16.150) 17.729 7.735 ( -3.111 -9.843 -3.469) 10.890 8.781 ( -5.247 10.703 0.587) 11.934 9.064 ( -3.868 -1.323 -2.190) 4.638 ======================= Grid point 3 (4/185) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 13.804 3.315 10.034) 17.385 1.558 ( 14.088 -7.197 0.672) 15.835 1.945 ( 7.752 0.947 3.362) 8.502 2.205 ( 1.259 -2.259 -1.381) 2.932 2.637 ( 10.512 -14.894 14.108) 23.052 2.848 ( -3.554 5.525 -1.301) 6.697 2.913 ( 0.957 3.090 -4.782) 5.774 3.061 ( -5.105 -2.801 1.205) 5.946 3.477 ( 0.440 1.634 -4.579) 4.882 3.591 ( 8.340 -3.997 -6.982) 11.587 3.942 ( -4.514 -1.572 2.220) 5.270 4.160 ( -6.306 3.044 -1.239) 7.111 4.292 ( 0.408 1.620 7.983) 8.156 4.324 ( -1.291 -2.352 -1.148) 2.918 4.524 ( 6.110 5.344 -8.364) 11.655 4.742 ( -2.020 -6.078 -5.111) 8.194 5.097 ( -3.931 6.471 10.320) 12.800 5.197 ( -2.439 6.938 -0.383) 7.364 5.648 ( -6.366 3.074 4.063) 8.154 5.744 ( 0.196 2.756 2.663) 3.838 6.159 ( 1.575 -0.768 1.371) 2.225 6.208 ( 0.215 -8.511 5.200) 9.976 6.364 ( -0.660 -0.725 0.141) 0.991 6.409 ( -0.485 2.063 0.816) 2.271 6.714 ( 10.937 1.669 -7.613) 13.430 7.234 ( -4.276 6.807 -0.578) 8.059 7.495 ( -0.409 -3.898 13.836) 14.380 7.806 ( -1.766 -14.599 -0.549) 14.716 8.571 ( -5.954 10.203 -2.572) 12.090 8.983 ( -3.497 1.756 -2.446) 4.614 ======================= Grid point 4 (5/185) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 4.956 0.768 3.438) 6.080 1.798 ( 7.416 -4.203 2.532) 8.892 1.998 ( -2.216 2.948 0.722) 3.758 2.236 ( 3.375 -1.465 -2.158) 4.265 2.729 ( -3.061 1.999 -1.025) 3.797 2.809 ( 0.332 1.416 -3.008) 3.341 2.982 ( 7.036 1.495 7.192) 10.172 3.072 ( -3.728 -5.887 -0.681) 7.001 3.521 ( 6.611 -5.711 -2.887) 9.201 3.688 ( -2.711 1.366 -0.080) 3.036 3.832 ( -4.908 -1.030 1.894) 5.361 4.088 ( -0.190 0.839 -1.106) 1.401 4.311 ( 0.202 0.124 0.232) 0.331 4.359 ( -0.339 -2.703 6.118) 6.697 4.528 ( 6.273 6.208 -6.760) 11.117 4.750 ( -1.013 -4.283 -3.154) 5.414 5.041 ( -1.269 3.422 4.100) 5.488 5.093 ( -2.862 3.285 -0.364) 4.372 5.532 ( -4.511 1.717 1.784) 5.145 5.737 ( 0.035 1.140 0.945) 1.481 6.197 ( 1.708 -1.734 -0.793) 2.560 6.258 ( -2.750 -0.738 3.046) 4.170 6.378 ( 0.434 -1.401 -0.258) 1.489 6.410 ( 0.742 -0.420 1.168) 1.446 6.852 ( 9.670 -0.107 -2.479) 9.983 7.072 ( -6.785 4.784 -0.953) 8.356 7.590 ( 0.236 -1.905 6.433) 6.713 7.909 ( -0.093 -7.096 0.144) 7.098 8.396 ( -2.934 4.595 -2.247) 5.897 8.906 ( -1.535 1.739 -1.193) 2.609 ======================= Grid point 10 (6/185) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 22.192 0.000 18.783) 29.074 1.039 ( 25.886 0.000 5.096) 26.383 1.355 ( 28.862 0.000 19.006) 34.558 1.893 ( 0.945 0.000 6.512) 6.580 2.387 ( -1.628 -0.000 -0.339) 1.663 3.009 ( -1.647 -0.000 -1.514) 2.237 3.019 ( -4.505 -0.000 -5.405) 7.037 3.187 ( -5.986 -0.000 -1.777) 6.244 3.438 ( 8.513 0.000 -12.503) 15.126 3.706 ( -5.191 -0.000 -1.153) 5.318 3.834 ( 0.671 0.000 -4.280) 4.333 4.224 ( 3.241 0.000 2.175) 3.903 4.293 ( -0.487 -0.000 -0.117) 0.501 4.325 ( -1.333 -0.000 0.182) 1.345 4.642 ( 2.244 0.000 -7.564) 7.890 4.673 ( -11.402 -0.000 0.242) 11.405 5.234 ( -4.207 -0.000 9.061) 9.990 5.448 ( 0.661 0.000 -2.652) 2.733 5.691 ( -1.518 -0.000 0.642) 1.648 5.891 ( 2.359 0.000 5.611) 6.086 5.937 ( -0.316 -0.000 -0.202) 0.375 6.175 ( -2.095 -0.000 -1.181) 2.405 6.192 ( 8.458 0.000 8.655) 12.102 6.437 ( -1.505 -0.000 -0.829) 1.718 6.645 ( 4.893 0.000 -10.844) 11.897 7.295 ( -3.168 -0.000 25.157) 25.356 7.423 ( -4.918 -0.000 11.061) 12.106 7.661 ( -1.881 -0.000 -10.662) 10.826 8.954 ( -8.905 -0.000 -3.116) 9.435 8.983 ( -0.904 -0.000 4.134) 4.231 ======================= Grid point 11 (7/185) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 19.061 21.150 17.986) 33.677 1.457 ( 18.278 -2.717 0.065) 18.479 1.953 ( 12.929 -3.121 4.319) 13.984 2.013 ( 7.267 -14.623 16.638) 23.312 2.384 ( 0.585 -5.742 4.026) 7.037 2.939 ( -3.308 3.295 0.306) 4.679 2.962 ( 0.164 1.129 -1.995) 2.298 3.055 ( -7.114 0.462 -2.051) 7.419 3.533 ( 11.192 -0.559 -14.428) 18.269 3.579 ( -2.702 6.474 -2.617) 7.487 3.828 ( -3.785 -8.280 -5.230) 10.500 4.190 ( -8.308 0.595 0.758) 8.364 4.303 ( -0.872 -0.191 -0.772) 1.180 4.310 ( -0.038 0.259 6.773) 6.778 4.553 ( -0.126 -1.021 -4.885) 4.992 4.667 ( 4.772 -1.165 -8.159) 9.523 5.220 ( -2.596 4.351 10.240) 11.425 5.378 ( -0.711 8.027 -3.920) 8.961 5.652 ( -4.630 -1.374 0.299) 4.839 5.841 ( -2.520 6.428 1.869) 7.153 6.015 ( -0.746 -9.139 3.032) 9.658 6.145 ( -0.200 -0.751 0.969) 1.242 6.333 ( -0.960 -1.770 4.699) 5.112 6.406 ( -1.705 -1.444 -0.890) 2.405 6.740 ( 14.711 0.922 -11.574) 18.741 7.356 ( -6.369 4.380 6.090) 9.841 7.437 ( -0.855 -2.096 24.974) 25.077 7.602 ( -0.975 -5.204 -3.499) 6.347 8.725 ( -10.791 4.769 -5.025) 12.824 8.996 ( -1.340 -0.231 2.044) 2.455 ======================= Grid point 12 (8/185) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 10.910 20.557 10.984) 25.735 1.735 ( 11.630 -1.762 3.900) 12.392 2.058 ( -0.742 3.603 2.238) 4.306 2.186 ( 2.748 -3.003 -1.467) 4.327 2.699 ( 6.046 -14.140 10.103) 18.400 2.837 ( -3.953 2.122 0.664) 4.536 2.910 ( -4.291 -1.334 1.820) 4.848 3.042 ( 5.235 1.347 5.386) 7.631 3.456 ( -1.819 1.670 -3.188) 4.033 3.663 ( 7.171 -1.997 -9.414) 12.001 3.783 ( -5.096 -5.304 -3.963) 8.355 4.045 ( -8.307 -3.177 0.117) 8.894 4.291 ( -0.351 -0.903 -1.436) 1.732 4.343 ( -1.774 -0.588 8.448) 8.652 4.573 ( 4.843 -0.892 -10.649) 11.733 4.739 ( 10.229 1.766 -8.428) 13.371 5.173 ( -2.356 7.930 9.032) 12.248 5.239 ( -3.167 10.305 -2.772) 11.132 5.555 ( -5.044 0.224 -4.653) 6.866 5.755 ( -3.352 0.795 -0.662) 3.508 6.092 ( -0.992 -7.452 1.044) 7.590 6.190 ( -0.406 -5.234 2.100) 5.654 6.328 ( -0.656 -1.272 0.543) 1.531 6.392 ( -2.338 -2.811 0.571) 3.700 6.903 ( 13.550 4.794 -7.891) 16.397 7.183 ( -9.098 5.001 -2.385) 10.653 7.562 ( 0.016 -0.597 13.690) 13.703 7.742 ( 3.600 -8.701 15.743) 18.344 8.467 ( -10.636 2.593 -6.277) 12.619 8.969 ( -0.707 3.502 0.620) 3.626 ======================= Grid point 13 (9/185) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 4.246 20.621 7.192) 22.248 1.900 ( -2.057 7.004 0.892) 7.354 1.939 ( 1.097 -2.958 -2.377) 3.950 2.241 ( -1.401 -0.434 1.912) 2.410 2.706 ( -5.890 -1.288 4.154) 7.322 2.816 ( 1.303 2.543 4.242) 5.114 2.941 ( -3.897 -3.324 -4.393) 6.748 3.162 ( 5.809 3.673 5.239) 8.642 3.542 ( 4.051 -11.094 4.967) 12.812 3.590 ( -8.344 -0.080 3.450) 9.030 3.832 ( 7.206 -1.638 -8.657) 11.382 3.985 ( -5.254 -8.476 -3.680) 10.630 4.289 ( -0.340 -1.324 -1.522) 2.045 4.365 ( -3.400 -2.887 7.531) 8.752 4.533 ( 0.523 6.554 -12.900) 14.479 4.850 ( 10.658 5.695 -8.212) 14.610 5.062 ( -4.817 4.464 2.591) 7.060 5.128 ( 1.375 6.528 3.380) 7.478 5.495 ( 2.483 -2.033 -8.318) 8.915 5.704 ( -2.420 -2.507 -2.874) 4.517 6.156 ( -0.314 -6.319 0.362) 6.337 6.204 ( -1.767 -3.638 -3.112) 5.103 6.354 ( -0.330 -1.045 1.143) 1.583 6.404 ( -1.050 -4.903 1.432) 5.215 6.897 ( -7.934 4.705 -9.093) 12.953 7.058 ( 5.261 3.187 2.648) 6.697 7.623 ( 0.367 1.270 4.701) 4.883 7.980 ( 6.145 -0.306 15.275) 16.467 8.295 ( -6.541 -4.933 -1.477) 8.324 8.930 ( 0.745 3.801 0.329) 3.887 ======================= Grid point 14 (10/185) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -2.739 24.257 4.183) 24.767 1.712 ( -7.433 7.171 -3.212) 10.816 1.943 ( -6.304 2.115 0.023) 6.650 2.200 ( -2.375 -1.259 3.605) 4.497 2.709 ( -3.164 -7.547 4.551) 9.364 2.798 ( -7.544 1.789 -7.951) 11.105 2.893 ( 4.895 1.749 8.177) 9.689 3.182 ( 1.715 7.030 -3.380) 7.987 3.482 ( -4.433 0.777 4.826) 6.599 3.674 ( -2.334 1.277 -1.895) 3.266 3.897 ( -0.852 -4.441 -3.852) 5.940 4.029 ( 5.913 -10.025 -2.573) 11.920 4.277 ( -0.716 0.292 -2.776) 2.881 4.363 ( -5.138 -7.166 2.797) 9.251 4.410 ( 1.285 5.470 -0.421) 5.634 4.837 ( -0.225 2.889 -2.397) 3.760 5.048 ( 2.628 1.807 -3.924) 5.056 5.164 ( 7.268 3.316 0.697) 8.019 5.550 ( 3.780 -5.993 -10.130) 12.362 5.704 ( 1.988 -2.574 -3.120) 4.507 6.153 ( -2.764 -1.130 -1.574) 3.376 6.230 ( -0.220 -7.386 -6.806) 10.046 6.350 ( -0.293 0.012 -0.684) 0.744 6.417 ( -1.874 0.854 0.972) 2.277 6.665 ( -10.397 -2.543 -3.348) 11.215 7.157 ( 4.278 0.313 5.399) 6.895 7.591 ( -0.096 5.752 -2.864) 6.427 8.080 ( 3.533 10.259 7.941) 13.446 8.356 ( 2.605 -10.585 3.133) 11.341 8.949 ( 2.319 -0.722 3.110) 3.946 ======================= Grid point 15 (11/185) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -4.171 26.504 3.188) 27.019 1.399 ( -17.252 14.738 2.455) 22.822 1.801 ( -6.355 1.617 -1.090) 6.648 2.192 ( -3.308 4.270 -2.421) 5.918 2.511 ( -8.388 10.106 -11.906) 17.727 2.791 ( -2.846 -9.663 5.676) 11.563 2.987 ( 4.798 2.687 2.241) 5.938 3.145 ( 2.926 -0.136 -0.477) 2.968 3.457 ( -2.987 -1.146 2.998) 4.384 3.565 ( -3.092 3.888 2.383) 5.510 3.864 ( -4.738 -7.974 -5.395) 10.731 4.223 ( 3.718 -4.031 -8.922) 10.472 4.271 ( 4.115 -1.352 4.376) 6.158 4.390 ( -2.199 2.000 4.667) 5.533 4.442 ( 2.877 -6.482 5.019) 8.688 4.832 ( 1.471 -1.380 1.466) 2.494 5.028 ( -0.334 -2.207 -6.558) 6.927 5.280 ( 11.241 3.420 -4.910) 12.735 5.581 ( -1.369 -8.592 -8.237) 11.981 5.749 ( 2.558 0.553 -2.778) 3.817 6.066 ( -5.945 0.416 -7.805) 9.820 6.189 ( -4.468 -0.509 -7.142) 8.440 6.343 ( 0.677 -3.109 0.283) 3.194 6.413 ( 0.627 -1.347 1.407) 2.046 6.579 ( -5.297 -3.840 2.409) 6.972 7.243 ( 0.770 -2.807 4.165) 5.081 7.516 ( 1.495 7.389 -0.934) 7.597 8.028 ( 3.437 15.538 0.209) 15.915 8.564 ( 7.264 -10.263 1.350) 12.646 9.035 ( 1.501 -3.398 5.062) 6.279 ======================= Grid point 16 (12/185) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 2.094 28.741 6.366) 29.512 0.933 ( -17.904 21.200 5.471) 28.283 1.516 ( -16.345 24.769 -11.867) 31.960 1.909 ( -3.859 8.420 -8.107) 12.309 2.414 ( 1.788 -1.488 -1.082) 2.566 2.872 ( -2.074 -9.390 3.859) 10.362 3.099 ( 6.682 -2.854 2.895) 7.822 3.213 ( 1.107 -3.450 0.542) 3.664 3.402 ( -5.129 0.821 1.768) 5.487 3.559 ( -1.044 -4.007 2.362) 4.767 3.875 ( 0.866 -6.255 -0.701) 6.353 4.193 ( -1.990 -0.094 -5.406) 5.761 4.321 ( -1.726 1.767 2.367) 3.422 4.389 ( 2.791 2.275 0.908) 3.714 4.639 ( 7.099 -7.580 6.439) 12.219 4.858 ( -0.888 1.704 0.247) 1.937 5.074 ( 1.139 -13.391 -3.583) 13.908 5.405 ( 12.886 5.463 -6.385) 15.383 5.602 ( -1.711 -10.199 -4.843) 11.419 5.734 ( -2.103 1.525 0.737) 2.700 5.865 ( -9.182 2.752 -7.547) 12.200 6.063 ( -6.500 -1.672 -7.243) 9.875 6.391 ( 1.338 3.858 1.425) 4.325 6.437 ( -0.138 -0.699 1.910) 2.038 6.568 ( -1.478 -4.431 1.177) 4.817 7.278 ( -1.032 -3.996 -1.479) 4.384 7.518 ( 4.557 5.337 5.864) 9.146 7.926 ( 4.120 14.630 -4.938) 15.982 8.794 ( 9.500 -6.900 0.004) 11.742 9.090 ( -2.835 -3.734 3.276) 5.719 ======================= Grid point 17 (13/185) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 0.000 23.818 0.000) 23.818 0.607 ( 0.000 30.207 0.000) 30.207 0.848 ( 0.000 42.765 0.000) 42.765 1.829 ( 0.000 1.980 0.000) 1.980 2.463 ( -0.000 -2.602 -0.000) 2.602 2.950 ( -0.000 -8.017 -0.000) 8.017 3.231 ( -0.000 -0.703 -0.000) 0.703 3.245 ( -0.000 -4.514 -0.000) 4.514 3.317 ( 0.000 3.116 0.000) 3.116 3.616 ( -0.000 -9.373 -0.000) 9.373 3.985 ( -0.000 -6.770 -0.000) 6.770 4.116 ( 0.000 4.209 0.000) 4.209 4.301 ( 0.000 0.631 0.000) 0.631 4.394 ( 0.000 3.098 0.000) 3.098 4.742 ( 0.000 6.133 0.000) 6.133 4.928 ( -0.000 -17.053 -0.000) 17.053 5.206 ( -0.000 -12.416 -0.000) 12.416 5.488 ( 0.000 6.948 0.000) 6.948 5.665 ( 0.000 5.426 0.000) 5.426 5.683 ( -0.000 -12.091 -0.000) 12.091 5.697 ( 0.000 1.425 0.000) 1.425 5.952 ( 0.000 0.534 0.000) 0.534 6.300 ( 0.000 14.589 0.000) 14.589 6.453 ( -0.000 -1.011 -0.000) 1.011 6.615 ( -0.000 -5.146 -0.000) 5.146 7.308 ( -0.000 -6.179 -0.000) 6.179 7.591 ( -0.000 -0.851 -0.000) 0.851 7.807 ( 0.000 14.389 0.000) 14.389 8.986 ( -0.000 -1.444 -0.000) 1.444 9.060 ( -0.000 -5.968 -0.000) 5.968 ======================= Grid point 20 (14/185) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 9.775 0.000 -0.554) 9.791 1.795 ( 10.515 0.000 6.014) 12.113 2.123 ( 7.751 0.000 4.340) 8.883 2.187 ( 7.253 0.000 18.804) 20.154 2.373 ( 1.953 0.000 7.107) 7.371 2.865 ( -7.414 -0.000 0.331) 7.421 2.933 ( -5.437 -0.000 -0.993) 5.527 3.053 ( 6.428 0.000 7.417) 9.815 3.546 ( -5.357 -0.000 -0.413) 5.373 3.613 ( 0.339 0.000 -11.074) 11.080 3.686 ( 8.211 0.000 -15.934) 17.925 4.013 ( -13.869 -0.000 5.182) 14.806 4.282 ( -0.414 -0.000 -1.566) 1.620 4.336 ( -1.705 -0.000 6.981) 7.186 4.560 ( 6.466 0.000 -9.804) 11.744 4.757 ( 11.598 0.000 -8.867) 14.599 5.268 ( -2.060 -0.000 8.869) 9.105 5.379 ( 0.174 0.000 -6.910) 6.912 5.544 ( -6.391 -0.000 -3.052) 7.082 5.762 ( -7.280 -0.000 -5.700) 9.246 6.004 ( 0.305 0.000 7.084) 7.091 6.114 ( -1.879 -0.000 -0.236) 1.894 6.332 ( -1.421 -0.000 3.329) 3.619 6.344 ( -2.521 -0.000 -2.778) 3.751 6.967 ( 17.117 0.000 -9.820) 19.733 7.235 ( -10.234 -0.000 -4.550) 11.200 7.572 ( -0.723 -0.000 8.366) 8.397 7.628 ( 3.135 0.000 31.602) 31.757 8.493 ( -13.215 -0.000 -8.000) 15.448 9.008 ( 0.022 0.000 2.134) 2.134 ======================= Grid point 21 (15/185) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 5.960 8.054 0.230) 10.022 1.884 ( 0.657 -2.493 -3.473) 4.325 2.182 ( 1.763 21.710 11.328) 24.551 2.240 ( 3.934 1.939 4.522) 6.300 2.639 ( -7.513 -10.603 8.556) 15.559 2.763 ( -1.178 -10.788 5.223) 12.044 2.877 ( 0.378 2.201 3.021) 3.757 3.215 ( 6.398 1.428 8.032) 10.368 3.412 ( -3.593 1.455 -1.547) 4.174 3.532 ( -7.302 -6.180 -3.970) 10.357 3.792 ( 10.500 -1.505 -13.840) 17.437 3.843 ( -10.550 -4.078 2.481) 11.580 4.270 ( 0.098 -0.372 -2.785) 2.812 4.342 ( -2.223 -0.185 5.513) 5.947 4.605 ( 5.343 1.104 -10.334) 11.686 4.938 ( 16.839 2.123 -9.760) 19.579 5.224 ( -7.835 8.812 3.374) 12.265 5.271 ( -0.813 7.524 -1.447) 7.705 5.443 ( -1.475 -4.183 -10.532) 11.428 5.632 ( -4.466 -3.993 -7.319) 9.458 6.050 ( -0.135 -2.040 2.937) 3.579 6.113 ( -1.885 -5.795 0.694) 6.133 6.294 ( -2.737 -3.285 -3.028) 5.239 6.340 ( 0.018 -0.437 2.192) 2.236 6.983 ( -12.128 2.542 -10.486) 16.233 7.150 ( 12.123 4.363 -5.547) 14.028 7.638 ( 0.270 0.323 13.993) 13.999 7.920 ( 6.620 -3.691 29.816) 30.765 8.235 ( -11.626 -1.235 -7.073) 13.665 9.006 ( 0.378 2.681 0.530) 2.759 ======================= Grid point 22 (16/185) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 4.740 17.332 2.253) 18.109 1.781 ( -7.695 2.178 -6.398) 10.242 2.114 ( 4.131 15.445 8.352) 18.038 2.213 ( -7.256 5.580 5.888) 10.884 2.538 ( -9.836 -9.341 7.093) 15.308 2.812 ( -4.656 -1.330 -5.554) 7.369 2.949 ( 4.467 3.020 7.807) 9.488 3.285 ( 1.289 3.496 0.311) 3.739 3.459 ( -4.461 -4.205 2.865) 6.766 3.512 ( 1.646 -14.037 2.882) 14.424 3.776 ( -5.151 -8.033 0.266) 9.546 3.895 ( 7.482 -2.338 -7.750) 11.023 4.251 ( -1.172 -1.257 -3.277) 3.700 4.323 ( -2.782 1.148 2.613) 3.986 4.559 ( 1.098 6.682 -9.038) 11.293 4.931 ( -4.878 9.420 -7.774) 13.152 5.115 ( 5.532 3.978 -3.686) 7.747 5.269 ( 6.775 5.404 4.164) 9.615 5.418 ( -1.041 -7.915 -13.065) 15.311 5.625 ( 4.057 -5.156 -7.899) 10.268 6.077 ( -1.414 -5.660 -2.602) 6.388 6.129 ( -1.792 -1.884 -0.397) 2.630 6.286 ( -2.862 -7.952 -1.282) 8.547 6.370 ( 0.838 -1.539 0.795) 1.925 6.673 ( -13.240 2.076 -11.216) 17.475 7.238 ( 6.850 6.442 0.491) 9.416 7.703 ( 1.139 4.949 9.008) 10.341 8.085 ( -6.874 -6.844 -0.003) 9.700 8.245 ( 8.853 -2.168 21.603) 23.447 8.982 ( 0.686 3.510 0.066) 3.577 ======================= Grid point 23 (17/185) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -6.471 20.817 1.453) 21.848 1.657 ( -6.278 9.774 -2.348) 11.851 1.950 ( -3.603 18.424 11.116) 21.817 2.187 ( 1.026 -1.672 1.621) 2.545 2.578 ( -4.492 -11.747 6.112) 13.983 2.653 ( -6.697 4.175 -6.695) 10.349 3.062 ( 5.137 2.437 8.316) 10.074 3.208 ( -1.816 5.464 -7.843) 9.729 3.440 ( -2.312 -1.114 0.098) 2.568 3.604 ( -2.134 -7.108 -2.283) 7.765 3.724 ( -7.796 0.885 -2.356) 8.192 4.057 ( 6.851 -11.347 -2.388) 13.468 4.257 ( -0.071 -4.756 1.536) 4.999 4.288 ( 0.119 -0.101 2.306) 2.311 4.491 ( 2.328 4.934 -1.223) 5.591 4.782 ( -3.201 -0.414 -5.103) 6.038 5.086 ( -0.214 4.874 -2.331) 5.407 5.362 ( 4.963 -0.448 -5.413) 7.358 5.420 ( 3.909 -3.558 -8.589) 10.085 5.731 ( 5.833 -2.820 -5.233) 8.328 6.041 ( -6.207 -3.131 -6.093) 9.244 6.114 ( -0.286 -4.119 -5.347) 6.756 6.322 ( -2.937 -1.308 -1.622) 3.602 6.355 ( -3.243 -4.515 -0.005) 5.559 6.467 ( -4.153 -5.250 -2.968) 7.322 7.267 ( 2.129 4.753 2.556) 5.802 7.688 ( 1.833 9.766 5.415) 11.316 8.104 ( -3.744 -8.698 3.627) 10.140 8.502 ( 11.734 3.161 8.693) 14.941 8.981 ( -0.235 -0.599 3.760) 3.815 ======================= Grid point 24 (18/185) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -6.468 20.757 2.697) 21.908 1.371 ( -6.807 19.018 2.505) 20.354 1.853 ( 2.821 16.585 8.105) 18.674 2.166 ( -4.405 9.032 -5.133) 11.284 2.435 ( -3.993 6.984 -5.871) 9.959 2.664 ( -2.800 -11.711 4.086) 12.716 3.069 ( 1.049 2.059 -6.068) 6.493 3.163 ( 1.118 -1.394 3.706) 4.115 3.399 ( -2.913 -0.510 -1.658) 3.391 3.564 ( -2.948 3.004 0.308) 4.221 3.693 ( -0.239 -10.719 0.886) 10.758 4.152 ( -0.862 -4.989 -7.132) 8.746 4.340 ( 0.180 0.077 4.407) 4.412 4.360 ( 2.349 -6.761 3.276) 7.871 4.526 ( 4.353 0.281 2.285) 4.924 4.784 ( 0.298 -9.633 -1.550) 9.761 5.002 ( -1.444 5.489 -2.918) 6.382 5.391 ( -2.318 -11.151 -5.985) 12.866 5.517 ( 12.385 5.276 -5.557) 14.564 5.756 ( -1.692 0.651 -0.692) 1.940 5.892 ( -7.440 -0.175 -7.505) 10.569 6.053 ( -4.504 0.268 -6.061) 7.556 6.321 ( 1.125 -6.755 2.635) 7.337 6.405 ( 0.572 -3.018 0.242) 3.081 6.484 ( -1.484 -6.666 -0.490) 6.847 7.256 ( -0.259 2.055 0.819) 2.227 7.664 ( 2.338 10.068 7.012) 12.490 8.107 ( -1.885 0.013 -1.924) 2.693 8.714 ( 13.448 0.597 0.171) 13.463 9.006 ( -4.510 -3.946 6.139) 8.579 ======================= Grid point 25 (19/185) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 21.689 0.000) 21.689 1.144 ( 0.000 22.967 0.000) 22.967 1.648 ( 0.000 37.833 0.000) 37.833 1.916 ( 0.000 8.251 0.000) 8.251 2.405 ( -0.000 -2.571 -0.000) 2.571 2.762 ( -0.000 -10.880 -0.000) 10.880 3.113 ( -0.000 -7.439 -0.000) 7.439 3.207 ( -0.000 -1.638 -0.000) 1.638 3.353 ( 0.000 0.632 0.000) 0.632 3.524 ( -0.000 -0.123 -0.000) 0.123 3.812 ( -0.000 -10.113 -0.000) 10.113 4.142 ( -0.000 -1.606 -0.000) 1.606 4.329 ( 0.000 1.943 0.000) 1.943 4.437 ( -0.000 -0.491 -0.000) 0.491 4.629 ( -0.000 -10.354 -0.000) 10.354 4.869 ( 0.000 1.883 0.000) 1.883 4.957 ( -0.000 -8.337 -0.000) 8.337 5.460 ( -0.000 -11.321 -0.000) 11.321 5.609 ( 0.000 5.601 0.000) 5.601 5.698 ( 0.000 0.538 0.000) 0.538 5.765 ( 0.000 2.640 0.000) 2.640 5.973 ( 0.000 1.564 0.000) 1.564 6.416 ( -0.000 -4.721 -0.000) 4.721 6.426 ( -0.000 -1.644 -0.000) 1.644 6.521 ( -0.000 -3.495 -0.000) 3.495 7.243 ( -0.000 -0.378 -0.000) 0.378 7.632 ( 0.000 6.308 0.000) 6.308 8.044 ( 0.000 7.473 0.000) 7.473 8.935 ( -0.000 -4.841 -0.000) 4.841 8.943 ( -0.000 -2.941 -0.000) 2.941 ======================= Grid point 30 (20/185) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -5.200 -0.000 -6.741) 8.513 1.916 ( 7.322 0.000 -1.544) 7.483 2.269 ( -0.244 -0.000 3.424) 3.433 2.385 ( -18.061 -0.000 8.323) 19.887 2.569 ( 3.975 0.000 14.861) 15.383 2.645 ( -3.006 -0.000 2.010) 3.616 2.980 ( 4.965 0.000 7.139) 8.696 3.308 ( -1.939 -0.000 0.175) 1.947 3.352 ( -3.750 -0.000 1.125) 3.915 3.386 ( 0.471 0.000 -0.753) 0.888 3.697 ( -5.331 -0.000 2.510) 5.892 3.871 ( 7.450 0.000 -8.122) 11.021 4.245 ( -0.427 -0.000 -5.020) 5.039 4.336 ( -1.784 -0.000 3.678) 4.087 4.616 ( 1.753 0.000 -9.171) 9.337 5.157 ( -4.367 -0.000 3.670) 5.705 5.182 ( 10.187 0.000 -21.101) 23.431 5.205 ( -7.686 -0.000 -8.674) 11.590 5.344 ( 3.350 0.000 3.536) 4.871 5.557 ( 5.467 0.000 -12.526) 13.667 6.029 ( -2.169 -0.000 -1.844) 2.847 6.087 ( 0.539 0.000 4.912) 4.941 6.193 ( -4.095 -0.000 -5.106) 6.546 6.359 ( 1.010 0.000 0.966) 1.397 6.696 ( -14.242 -0.000 -12.227) 18.771 7.322 ( 9.427 0.000 -6.625) 11.522 7.750 ( 0.449 0.000 19.507) 19.512 8.010 ( -8.743 -0.000 -6.297) 10.775 8.207 ( 8.090 0.000 29.135) 30.237 9.028 ( 0.553 0.000 -0.667) 0.866 ======================= Grid point 32 (21/185) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -6.831 0.673 -5.719) 8.935 1.936 ( -3.349 14.503 1.117) 14.927 2.124 ( -6.394 -2.081 3.990) 7.819 2.335 ( -4.304 -9.314 5.400) 11.595 2.448 ( 0.189 19.792 5.269) 20.482 2.707 ( -2.801 0.187 0.014) 2.807 3.086 ( 2.936 0.393 8.854) 9.337 3.263 ( -1.495 0.736 -1.662) 2.353 3.406 ( -0.725 -6.864 4.358) 8.163 3.407 ( -0.036 -4.931 -0.396) 4.947 3.703 ( 0.768 -3.867 3.244) 5.106 3.918 ( 1.436 -1.552 -6.768) 7.091 4.204 ( -0.102 -0.386 -3.938) 3.958 4.318 ( -0.890 1.304 0.617) 1.695 4.567 ( -0.061 1.784 -5.451) 5.736 4.887 ( -6.293 11.477 -6.701) 14.705 5.134 ( -6.238 -7.144 0.331) 9.490 5.197 ( 0.379 -3.598 -15.430) 15.849 5.505 ( 12.154 5.315 -1.319) 13.331 5.643 ( 8.954 -5.229 -8.977) 13.715 5.979 ( -4.041 -1.903 -3.634) 5.758 6.082 ( -2.488 0.200 -4.127) 4.823 6.167 ( -0.321 -7.333 1.960) 7.597 6.366 ( -3.231 1.537 -2.932) 4.626 6.410 ( -8.347 -1.674 -6.723) 10.848 7.383 ( 4.468 5.252 -3.249) 7.623 7.854 ( 3.068 5.526 8.596) 10.670 7.902 ( -6.370 -7.973 4.877) 11.310 8.510 ( 8.521 -1.699 20.134) 21.929 9.018 ( 0.331 2.408 -0.765) 2.549 ======================= Grid point 33 (22/185) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -6.645 5.646 -1.435) 8.837 1.652 ( -8.461 14.361 1.720) 16.757 2.155 ( 2.961 1.083 0.525) 3.196 2.293 ( 1.242 15.380 3.215) 15.762 2.426 ( -2.692 -11.809 3.503) 12.608 2.621 ( -1.532 9.269 2.834) 9.813 3.128 ( -2.270 1.723 0.501) 2.893 3.219 ( 1.827 6.759 -3.535) 7.843 3.395 ( -0.884 -0.030 -2.239) 2.407 3.512 ( 0.153 -7.149 6.989) 9.998 3.648 ( -4.682 5.322 -4.050) 8.164 3.968 ( -0.103 -12.752 -4.922) 13.669 4.238 ( 1.625 -4.163 0.872) 4.553 4.337 ( 3.158 -0.091 3.599) 4.789 4.549 ( 1.372 -0.227 -0.455) 1.463 4.701 ( -3.673 3.117 -4.469) 6.571 5.102 ( -2.315 2.461 1.926) 3.889 5.158 ( -2.242 -11.224 -11.154) 15.982 5.615 ( 10.475 4.578 -5.416) 12.649 5.753 ( 1.448 -1.057 -1.855) 2.580 5.873 ( -5.534 -1.413 -5.652) 8.035 6.048 ( -0.874 -1.240 -4.807) 5.041 6.212 ( -4.836 -3.374 -0.014) 5.897 6.267 ( 0.404 -9.168 2.356) 9.475 6.393 ( -0.383 -1.908 -2.099) 2.862 7.349 ( 0.781 6.762 -0.791) 6.853 7.864 ( 4.366 7.632 0.581) 8.812 7.962 ( -4.601 -9.750 7.914) 13.374 8.742 ( 8.107 -0.895 5.979) 10.113 8.988 ( -1.597 2.599 2.554) 3.978 ======================= Grid point 34 (23/185) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 14.802 0.000) 14.802 1.462 ( 0.000 11.558 0.000) 11.558 2.164 ( 0.000 7.773 0.000) 7.773 2.171 ( 0.000 15.463 0.000) 15.463 2.481 ( 0.000 15.372 0.000) 15.372 2.532 ( -0.000 -12.320 -0.000) 12.320 3.039 ( 0.000 1.877 0.000) 1.877 3.192 ( 0.000 1.312 0.000) 1.312 3.367 ( 0.000 1.101 0.000) 1.101 3.552 ( 0.000 1.903 0.000) 1.903 3.630 ( -0.000 -7.434 -0.000) 7.434 4.044 ( -0.000 -8.919 -0.000) 8.919 4.313 ( -0.000 -6.534 -0.000) 6.534 4.379 ( 0.000 1.321 0.000) 1.321 4.600 ( 0.000 3.692 0.000) 3.692 4.661 ( -0.000 -11.581 -0.000) 11.581 5.039 ( 0.000 5.936 0.000) 5.936 5.225 ( -0.000 -12.770 -0.000) 12.770 5.705 ( 0.000 0.167 0.000) 0.167 5.711 ( 0.000 4.731 0.000) 4.731 5.789 ( 0.000 0.283 0.000) 0.283 6.005 ( 0.000 1.473 0.000) 1.473 6.264 ( -0.000 -8.636 -0.000) 8.636 6.379 ( -0.000 -10.167 -0.000) 10.167 6.394 ( -0.000 -1.559 -0.000) 1.559 7.291 ( 0.000 5.097 0.000) 5.097 7.820 ( 0.000 11.055 0.000) 11.055 8.031 ( -0.000 -8.187 -0.000) 8.187 8.874 ( -0.000 -3.909 -0.000) 3.909 8.931 ( 0.000 3.961 0.000) 3.961 ======================= Grid point 41 (24/185) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -5.244 -0.000 -2.877) 5.981 1.852 ( -13.268 -0.000 5.490) 14.359 2.127 ( 5.819 0.000 -3.687) 6.889 2.267 ( -1.942 -0.000 3.774) 4.245 2.461 ( -3.798 -0.000 -5.432) 6.628 2.744 ( -0.325 -0.000 3.275) 3.291 3.190 ( 2.083 0.000 12.308) 12.483 3.329 ( 0.505 0.000 -4.900) 4.926 3.364 ( 2.977 0.000 12.111) 12.471 3.401 ( 1.676 0.000 0.677) 1.807 3.718 ( 0.491 0.000 0.549) 0.736 3.802 ( -6.375 -0.000 -12.966) 14.449 4.202 ( 1.416 0.000 -0.939) 1.699 4.338 ( 2.840 0.000 1.573) 3.246 4.540 ( -1.381 -0.000 -2.338) 2.715 4.824 ( -7.101 -0.000 -5.888) 9.224 4.937 ( -1.734 -0.000 -3.594) 3.990 5.153 ( -0.348 -0.000 -4.846) 4.858 5.678 ( 6.507 0.000 -8.551) 10.745 5.726 ( 7.521 0.000 1.030) 7.591 5.853 ( -5.245 -0.000 -5.748) 7.782 6.026 ( -0.335 -0.000 -2.638) 2.659 6.167 ( 1.348 0.000 2.925) 3.221 6.186 ( -8.521 -0.000 -2.844) 8.984 6.375 ( 0.018 0.000 -1.546) 1.547 7.451 ( 2.235 0.000 -2.802) 3.584 7.792 ( -2.549 -0.000 0.135) 2.553 7.982 ( 1.338 0.000 9.197) 9.294 8.715 ( 5.099 0.000 11.789) 12.845 9.030 ( 0.249 0.000 -0.843) 0.879 ======================= Grid point 43 (25/185) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 2.043 0.000) 2.043 1.699 ( 0.000 10.063 0.000) 10.063 2.174 ( -0.000 -1.202 -0.000) 1.202 2.307 ( -0.000 -8.606 -0.000) 8.606 2.385 ( 0.000 4.858 0.000) 4.858 2.723 ( 0.000 5.261 0.000) 5.261 3.209 ( 0.000 12.436 0.000) 12.436 3.266 ( 0.000 3.531 0.000) 3.531 3.385 ( 0.000 0.123 0.000) 0.123 3.559 ( 0.000 0.142 0.000) 0.142 3.587 ( 0.000 2.049 0.000) 2.049 3.800 ( -0.000 -13.697 -0.000) 13.697 4.224 ( -0.000 -2.070 -0.000) 2.070 4.406 ( 0.000 0.848 0.000) 0.848 4.507 ( -0.000 -3.834 -0.000) 3.834 4.701 ( 0.000 6.048 0.000) 6.048 4.979 ( -0.000 -10.928 -0.000) 10.928 5.123 ( 0.000 2.299 0.000) 2.299 5.705 ( -0.000 -0.082 -0.000) 0.082 5.782 ( 0.000 2.115 0.000) 2.115 5.789 ( -0.000 -0.081 -0.000) 0.081 6.025 ( 0.000 0.505 0.000) 0.505 6.118 ( -0.000 -4.873 -0.000) 4.873 6.215 ( -0.000 -4.861 -0.000) 4.861 6.371 ( -0.000 -0.653 -0.000) 0.653 7.421 ( 0.000 6.648 0.000) 6.648 7.825 ( -0.000 -9.485 -0.000) 9.485 7.995 ( 0.000 5.427 0.000) 5.427 8.807 ( -0.000 -2.278 -0.000) 2.278 9.015 ( 0.000 2.902 0.000) 2.902 ======================= Grid point 85 (26/185) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -13.917 -0.000 28.618) 31.823 0.667 ( 6.398 0.000 31.800) 32.437 0.996 ( 4.278 0.000 47.028) 47.222 1.873 ( 4.561 0.000 4.065) 6.110 2.404 ( 0.136 0.000 -1.262) 1.269 2.997 ( 0.511 0.000 -4.538) 4.567 3.145 ( -8.023 -0.000 -5.649) 9.812 3.301 ( -0.846 -0.000 0.974) 1.290 3.335 ( -7.807 -0.000 1.818) 8.016 3.778 ( -0.134 -0.000 -3.230) 3.233 3.862 ( -5.748 -0.000 -5.309) 7.824 4.026 ( 7.265 0.000 -0.630) 7.292 4.317 ( -0.439 -0.000 1.100) 1.185 4.369 ( 0.125 0.000 1.306) 1.312 4.569 ( -1.862 -0.000 -9.918) 10.092 4.970 ( -3.133 -0.000 -0.915) 3.263 5.238 ( 7.338 0.000 -7.065) 10.186 5.389 ( 2.855 0.000 1.374) 3.168 5.689 ( 6.643 0.000 5.459) 8.599 5.792 ( 4.495 0.000 -12.262) 13.060 5.846 ( -4.100 -0.000 6.370) 7.575 6.080 ( -2.233 -0.000 7.339) 7.671 6.234 ( -1.298 -0.000 0.425) 1.366 6.469 ( -0.556 -0.000 0.063) 0.560 6.629 ( -0.944 -0.000 -3.653) 3.773 7.382 ( 5.885 0.000 -5.576) 8.107 7.635 ( 9.640 0.000 5.240) 10.972 7.799 ( -5.834 -0.000 2.924) 6.526 8.875 ( 9.534 0.000 1.395) 9.635 9.129 ( -1.452 -0.000 0.400) 1.506 ======================= Grid point 86 (27/185) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 11.089 -4.261 18.195) 21.730 0.951 ( 12.476 11.372 29.451) 33.947 1.544 ( 14.191 -15.639 28.761) 35.682 1.992 ( 4.278 -3.312 11.556) 12.760 2.407 ( -0.041 -2.183 -0.109) 2.186 2.915 ( -2.220 6.737 -6.554) 9.658 3.013 ( -3.849 -2.772 -5.604) 7.342 3.254 ( -4.514 0.960 -1.115) 4.748 3.284 ( -0.836 -1.769 -3.348) 3.877 3.635 ( -2.321 11.228 -5.081) 12.541 3.856 ( -0.525 -8.774 -2.487) 9.135 4.143 ( 4.949 -3.400 -2.454) 6.487 4.311 ( -0.175 1.697 0.638) 1.822 4.367 ( -1.971 -1.350 0.115) 2.392 4.492 ( -0.339 -0.012 -10.011) 10.017 4.861 ( -7.416 0.249 0.372) 7.430 5.355 ( 2.043 5.291 -0.767) 5.724 5.375 ( 2.132 0.498 -1.078) 2.440 5.787 ( 5.625 4.101 -1.301) 7.081 5.837 ( 1.155 0.583 3.243) 3.491 5.938 ( 7.781 -5.963 9.113) 13.385 6.129 ( 0.494 -2.691 3.055) 4.101 6.214 ( -0.376 -2.035 0.719) 2.191 6.443 ( -1.623 1.253 -1.079) 2.317 6.559 ( -3.864 -0.928 -3.430) 5.250 7.353 ( 2.132 8.252 -9.191) 12.535 7.656 ( -1.572 5.638 9.347) 11.028 7.799 ( -4.836 -9.005 9.433) 13.909 8.929 ( -0.482 4.794 -1.296) 4.989 9.056 ( -4.761 0.869 -2.636) 5.511 ======================= Grid point 87 (28/185) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 17.449 7.147 13.986) 23.477 1.256 ( 15.791 0.360 17.494) 23.570 1.880 ( 6.668 -0.861 5.833) 8.901 2.198 ( 1.357 -1.886 6.049) 6.480 2.561 ( 6.499 -14.108 15.213) 21.742 2.797 ( 2.427 6.115 -7.295) 9.823 2.943 ( -2.721 1.301 -2.818) 4.127 3.139 ( -5.704 0.117 -1.404) 5.875 3.288 ( 2.300 -2.533 -7.856) 8.569 3.504 ( -0.911 3.404 -2.491) 4.315 3.915 ( -1.378 -8.783 -2.851) 9.336 4.199 ( -0.854 -1.124 -4.879) 5.080 4.290 ( 0.929 0.503 -0.997) 1.453 4.349 ( -0.966 -0.088 0.877) 1.307 4.450 ( 2.281 1.195 -5.717) 6.270 4.748 ( -7.469 -1.440 2.113) 7.895 5.262 ( -0.454 7.493 -3.065) 8.108 5.378 ( -4.027 2.384 4.699) 6.632 5.809 ( 2.112 4.955 -1.664) 5.637 5.841 ( -5.785 -1.211 8.939) 10.716 6.132 ( 0.129 -5.888 1.025) 5.978 6.181 ( 3.050 -2.886 5.239) 6.714 6.310 ( 8.902 -0.269 -7.365) 11.557 6.398 ( 0.284 -0.788 1.968) 2.139 6.497 ( -3.219 -1.932 -2.084) 4.294 7.217 ( -0.538 6.783 -13.236) 14.883 7.666 ( 1.329 5.421 9.427) 10.956 7.902 ( -2.098 -8.281 16.788) 18.837 8.766 ( -8.062 9.834 -1.636) 12.821 8.957 ( -2.081 1.761 -7.269) 7.763 ======================= Grid point 88 (29/185) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 9.720 12.060 15.136) 21.657 1.640 ( 14.839 -5.711 8.138) 17.862 2.009 ( 7.183 1.062 2.773) 7.773 2.159 ( -3.511 2.370 -2.379) 4.859 2.684 ( 4.111 3.713 -8.285) 9.966 2.801 ( -2.946 4.043 -1.456) 5.210 2.988 ( 7.541 -0.223 8.778) 11.574 3.097 ( -4.843 -5.952 1.181) 7.763 3.269 ( 3.911 0.785 -12.842) 13.447 3.587 ( 4.097 -10.973 5.294) 12.853 3.931 ( -5.451 -7.811 -3.649) 10.200 4.093 ( -3.344 4.020 -3.957) 6.558 4.304 ( -0.604 -1.685 -0.059) 1.791 4.357 ( 2.570 1.466 -1.170) 3.181 4.492 ( 5.039 -1.625 -1.726) 5.569 4.675 ( -5.719 -3.692 3.718) 7.756 5.166 ( -2.451 3.949 -2.468) 5.262 5.281 ( -4.458 6.379 4.703) 9.093 5.698 ( -11.526 0.335 0.484) 11.541 5.797 ( -3.301 0.904 2.724) 4.374 6.154 ( -0.862 -2.250 -0.252) 2.423 6.283 ( 4.737 -0.542 -4.635) 6.650 6.310 ( -2.813 -3.363 0.448) 4.407 6.462 ( -1.475 -0.124 1.557) 2.148 6.580 ( 11.784 -3.843 -0.649) 12.412 7.064 ( -1.496 3.788 -14.242) 14.813 7.671 ( 0.311 7.198 5.892) 9.307 8.074 ( 0.693 -4.393 20.935) 21.402 8.509 ( -8.255 8.162 -3.464) 12.115 8.858 ( -0.005 4.062 -9.524) 10.355 ======================= Grid point 89 (30/185) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 1.265 11.641 10.507) 15.732 1.906 ( 6.007 -3.095 7.371) 10.000 1.965 ( -8.337 3.553 -3.001) 9.546 2.204 ( 7.751 -1.470 -0.888) 7.939 2.680 ( 3.963 3.703 -6.241) 8.268 2.759 ( 5.076 2.520 1.981) 6.003 2.998 ( -6.579 0.489 -6.377) 9.176 3.095 ( 2.986 3.043 1.996) 4.707 3.348 ( 11.351 -1.572 -11.357) 16.134 3.677 ( -3.562 6.217 -1.742) 7.374 3.846 ( -5.893 -9.174 -1.421) 10.996 4.070 ( -0.314 -4.472 0.658) 4.531 4.302 ( -1.383 -0.265 0.029) 1.408 4.367 ( 0.202 1.391 0.657) 1.552 4.593 ( 4.384 -5.164 -8.068) 10.535 4.713 ( -3.242 -9.790 13.681) 17.133 5.091 ( -2.009 1.331 2.125) 3.213 5.186 ( -2.936 5.891 3.805) 7.603 5.485 ( -10.859 -1.687 -3.533) 11.543 5.749 ( -3.212 -1.204 -0.260) 3.440 6.162 ( 0.725 -1.348 -2.721) 3.122 6.252 ( -2.913 -0.055 -2.471) 3.820 6.331 ( 1.082 -0.853 -4.161) 4.384 6.462 ( 0.035 1.844 2.423) 3.045 6.805 ( 8.390 -6.785 -1.012) 10.837 6.926 ( -1.898 0.912 -13.056) 13.224 7.590 ( -1.193 10.832 0.600) 10.914 8.176 ( -3.285 7.985 15.667) 17.889 8.379 ( 0.254 -0.778 2.594) 2.720 8.798 ( 3.819 1.342 -9.091) 9.952 ======================= Grid point 90 (31/185) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -6.872 12.567 7.330) 16.090 1.764 ( -8.692 2.711 -2.400) 9.416 1.992 ( -1.644 0.058 2.195) 2.743 2.274 ( 0.168 0.188 1.372) 1.395 2.720 ( 2.393 -2.330 -4.268) 5.419 2.772 ( -4.801 9.283 -5.373) 11.751 2.926 ( 5.211 -0.453 3.549) 6.321 3.017 ( 0.078 9.462 -5.922) 11.163 3.440 ( 7.738 3.356 -11.423) 14.199 3.637 ( 7.813 -2.506 -1.452) 8.333 3.841 ( -5.293 -8.237 -0.511) 9.804 4.091 ( -4.168 -3.194 1.563) 5.479 4.262 ( -1.665 0.865 0.995) 2.124 4.367 ( -0.017 0.547 2.883) 2.935 4.661 ( 4.113 -6.029 -8.416) 11.140 4.789 ( -10.238 -7.802 13.434) 18.606 5.079 ( -6.471 5.173 4.837) 9.593 5.111 ( 1.404 -3.311 0.002) 3.596 5.438 ( 3.116 -7.313 -3.825) 8.821 5.716 ( -2.163 -2.702 -1.554) 3.793 6.145 ( -1.230 0.685 -6.543) 6.693 6.197 ( -1.082 1.191 -0.948) 1.867 6.317 ( 0.224 -1.145 -5.074) 5.206 6.437 ( -0.851 3.137 1.629) 3.636 6.798 ( -5.917 -6.026 -10.253) 13.283 7.004 ( 9.721 -2.146 -5.493) 11.370 7.469 ( 0.191 11.468 1.208) 11.533 8.055 ( -2.004 16.206 6.501) 17.576 8.475 ( 0.846 -7.491 5.344) 9.240 8.861 ( 8.151 0.010 -4.046) 9.100 ======================= Grid point 91 (32/185) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -12.433 12.908 7.901) 19.586 1.568 ( -12.141 6.168 0.384) 13.624 1.888 ( -6.301 2.695 -2.394) 7.260 2.188 ( -12.318 14.681 -2.295) 19.301 2.398 ( -4.771 7.268 -6.184) 10.668 2.847 ( 5.128 -4.237 -0.655) 6.684 2.963 ( 2.906 -0.983 -1.090) 3.255 3.093 ( 6.913 -0.568 4.182) 8.100 3.491 ( 4.434 -2.162 -2.577) 5.565 3.730 ( -5.125 -5.235 1.952) 7.582 3.888 ( 2.376 -2.412 -0.957) 3.518 4.038 ( -0.001 -4.337 -6.730) 8.007 4.280 ( 1.852 -0.482 3.708) 4.173 4.387 ( 1.197 1.415 4.271) 4.656 4.673 ( -6.005 0.289 -1.080) 6.108 4.794 ( 2.390 -4.329 3.658) 6.151 4.974 ( -3.170 -0.365 -1.287) 3.440 5.190 ( 0.399 -9.403 0.076) 9.412 5.567 ( 2.246 -8.967 -1.978) 9.453 5.714 ( 0.598 -1.034 -0.616) 1.344 6.037 ( -4.252 2.476 -7.094) 8.633 6.148 ( -2.135 1.503 -4.453) 5.162 6.326 ( 1.806 -1.064 -1.989) 2.890 6.427 ( 0.484 -0.494 1.237) 1.417 6.691 ( -4.313 -2.098 -10.162) 11.237 7.116 ( 7.658 0.463 -8.407) 11.381 7.400 ( 2.724 12.355 6.296) 14.132 7.918 ( -1.714 11.314 5.619) 12.748 8.600 ( 2.750 -8.885 -0.683) 9.326 8.978 ( 8.061 2.202 -1.098) 8.428 ======================= Grid point 92 (33/185) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -10.631 13.751 16.540) 23.993 1.152 ( -21.153 17.823 -3.379) 27.866 1.643 ( -26.602 18.265 9.439) 33.621 1.802 ( 0.257 2.406 -3.800) 4.505 2.380 ( 1.445 -1.102 -0.696) 1.946 2.952 ( 2.011 -4.694 -1.802) 5.415 3.072 ( 6.892 -2.918 2.184) 7.796 3.212 ( 3.797 -1.214 2.295) 4.599 3.576 ( -2.306 -7.884 1.340) 8.323 3.690 ( -4.958 -1.850 7.032) 8.801 3.857 ( -0.553 -1.102 -4.259) 4.434 4.087 ( 2.527 -1.733 -8.672) 9.198 4.327 ( -0.373 -0.635 1.882) 2.021 4.423 ( -1.334 2.214 5.058) 5.680 4.631 ( 5.089 -2.105 -0.614) 5.541 4.820 ( 1.478 6.505 0.162) 6.673 5.059 ( 6.470 -11.130 -1.634) 12.977 5.286 ( -1.573 -10.799 -0.428) 10.922 5.655 ( -0.680 -10.332 -2.897) 10.752 5.739 ( -0.274 0.671 -0.707) 1.013 5.907 ( -2.699 0.228 -1.064) 2.910 6.043 ( -3.732 1.377 -8.267) 9.174 6.323 ( 0.307 5.368 -1.432) 5.565 6.457 ( 0.522 -0.645 1.258) 1.507 6.599 ( 0.119 0.860 -7.596) 7.645 7.163 ( 3.641 -0.364 -6.219) 7.216 7.393 ( 7.750 16.309 9.144) 20.240 7.852 ( -3.175 1.184 5.355) 6.337 8.719 ( 5.263 -4.578 -5.720) 9.021 9.060 ( 5.274 2.737 -0.661) 5.978 ======================= Grid point 93 (34/185) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -5.451 14.404 25.897) 30.130 0.623 ( -14.422 14.951 15.315) 25.809 1.110 ( -29.656 12.884 28.389) 43.028 1.801 ( 2.184 0.904 0.612) 2.441 2.406 ( 1.305 0.134 -1.306) 1.851 2.994 ( 0.746 -2.984 -3.440) 4.615 3.203 ( 3.011 -0.979 -0.335) 3.184 3.279 ( 1.757 -1.105 1.555) 2.593 3.516 ( -12.417 -3.409 4.196) 13.543 3.718 ( -0.509 -10.318 -1.724) 10.474 3.908 ( 7.345 4.276 -0.455) 8.511 4.024 ( -2.415 2.460 -7.805) 8.533 4.321 ( -1.479 -1.019 0.840) 1.983 4.384 ( -2.419 0.860 2.337) 3.472 4.664 ( -1.134 2.632 -5.723) 6.401 4.912 ( 9.987 -0.289 0.609) 10.010 5.245 ( 2.465 -7.467 -8.017) 11.229 5.331 ( -2.095 -7.550 -1.577) 7.992 5.615 ( -0.820 4.838 0.125) 4.909 5.755 ( 1.039 -10.065 -5.675) 11.601 5.915 ( -3.481 0.806 -7.196) 8.034 6.041 ( 6.260 -4.520 11.293) 13.680 6.232 ( -3.304 3.765 1.785) 5.318 6.468 ( -0.114 -0.311 0.844) 0.907 6.591 ( 4.360 0.791 -3.739) 5.798 7.203 ( 3.223 -4.720 2.008) 6.058 7.451 ( 13.551 19.708 9.702) 25.810 7.836 ( -4.785 -4.234 5.325) 8.317 8.776 ( 6.148 4.776 -5.954) 9.801 9.107 ( 2.037 -0.526 0.611) 2.191 ======================= Grid point 95 (35/185) ======================= q-point: ( 0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 22.269 0.000 7.581) 23.524 1.431 ( 15.153 0.000 19.996) 25.089 1.831 ( 11.245 0.000 13.824) 17.820 2.146 ( 5.752 0.000 23.603) 24.294 2.391 ( -0.062 -0.000 1.454) 1.456 2.885 ( 0.880 0.000 -6.541) 6.600 2.936 ( -0.437 -0.000 -5.971) 5.987 3.150 ( -7.107 -0.000 -1.794) 7.330 3.254 ( 2.106 0.000 -5.469) 5.860 3.663 ( -3.216 -0.000 -2.868) 4.309 3.700 ( -2.627 -0.000 -8.432) 8.832 4.181 ( 3.071 0.000 -3.178) 4.420 4.314 ( -1.784 -0.000 -2.918) 3.420 4.332 ( 0.568 0.000 0.921) 1.082 4.468 ( 2.685 0.000 -7.252) 7.733 4.722 ( -9.603 -0.000 4.515) 10.612 5.347 ( -1.675 -0.000 -7.319) 7.508 5.410 ( -0.700 -0.000 4.830) 4.881 5.831 ( -5.594 -0.000 10.391) 11.801 5.884 ( 0.850 0.000 -4.734) 4.810 6.037 ( 2.472 0.000 8.293) 8.653 6.170 ( -1.656 -0.000 0.600) 1.761 6.282 ( 15.576 0.000 -2.286) 15.743 6.409 ( -2.376 -0.000 -2.075) 3.154 6.458 ( -4.422 -0.000 -1.691) 4.734 7.284 ( -3.004 -0.000 -16.969) 17.233 7.748 ( -1.340 -0.000 11.722) 11.798 7.804 ( 1.012 0.000 21.894) 21.917 8.883 ( -11.966 -0.000 -4.092) 12.646 8.957 ( 1.191 0.000 -4.242) 4.406 ======================= Grid point 96 (36/185) ======================= q-point: ( 0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 17.025 0.544 5.115) 17.785 1.682 ( 11.222 9.427 12.661) 19.368 2.017 ( 7.614 -0.221 2.361) 7.975 2.266 ( -0.374 10.945 9.054) 14.209 2.591 ( 5.466 -16.336 11.871) 20.920 2.861 ( 0.368 3.588 -6.134) 7.115 2.963 ( 7.353 -0.860 1.902) 7.644 3.024 ( -5.562 -1.079 -1.042) 5.761 3.291 ( 5.892 -0.159 -7.881) 9.842 3.504 ( -2.156 5.094 -3.596) 6.597 3.705 ( -4.922 -12.919 -6.663) 15.347 4.163 ( -3.190 2.403 -2.166) 4.543 4.277 ( -0.909 -1.124 -2.017) 2.481 4.358 ( 2.860 -0.604 -2.831) 4.069 4.493 ( 5.713 0.509 -6.481) 8.655 4.617 ( -8.473 -1.869 8.875) 12.411 5.256 ( -1.288 3.382 -7.839) 8.635 5.386 ( -2.801 3.258 2.282) 4.864 5.729 ( -11.847 2.664 6.655) 13.847 5.808 ( -5.113 -0.365 -2.826) 5.853 6.107 ( -0.877 -0.825 4.263) 4.430 6.181 ( -0.358 -5.536 3.032) 6.322 6.335 ( -1.343 1.914 -3.704) 4.381 6.398 ( -1.777 -3.333 -4.949) 6.226 6.563 ( 15.189 0.035 -0.275) 15.191 7.115 ( -3.315 1.292 -17.916) 18.266 7.787 ( -0.999 3.704 13.316) 13.858 8.005 ( 3.827 -2.127 25.584) 25.956 8.611 ( -13.705 2.528 -6.178) 15.244 8.934 ( 1.267 2.558 -7.016) 7.574 ======================= Grid point 97 (37/185) ======================= q-point: ( 0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 5.184 10.921 7.421) 14.185 1.847 ( 5.223 -2.244 2.476) 6.200 2.144 ( -1.373 16.570 9.732) 19.266 2.175 ( 7.310 -0.969 -0.159) 7.376 2.749 ( 1.872 3.082 -7.975) 8.752 2.823 ( 3.854 0.934 3.426) 5.241 2.959 ( -5.630 -4.658 0.462) 7.322 3.144 ( 6.803 1.855 -0.052) 7.051 3.329 ( 8.657 0.768 -5.673) 10.378 3.570 ( 3.740 -10.772 1.621) 11.518 3.687 ( -6.856 -10.594 -4.868) 13.526 4.028 ( -6.973 2.002 -1.698) 7.451 4.271 ( -1.216 -2.717 -0.746) 3.069 4.390 ( 2.831 0.366 -6.066) 6.705 4.553 ( 2.013 0.139 -2.421) 3.152 4.602 ( 0.505 -2.503 7.370) 7.799 5.156 ( -1.182 4.690 -3.910) 6.219 5.295 ( -2.366 4.370 -3.564) 6.115 5.501 ( -13.291 3.635 3.830) 14.301 5.708 ( -6.744 -3.391 -2.565) 7.973 6.105 ( -1.631 -2.508 -0.347) 3.012 6.219 ( -3.520 -3.223 0.300) 4.782 6.333 ( 2.667 -1.058 -0.314) 2.886 6.378 ( -2.820 -6.504 -2.448) 7.500 6.773 ( 10.960 2.634 -4.244) 12.045 6.944 ( -2.714 0.260 -15.346) 15.587 7.776 ( -2.394 7.326 8.269) 11.304 8.244 ( 3.922 0.505 25.724) 26.026 8.370 ( -8.623 -0.657 -2.787) 9.086 8.874 ( 2.575 5.014 -9.362) 10.928 ======================= Grid point 98 (38/185) ======================= q-point: (-0.56 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 1.836 17.177 8.528) 19.265 1.808 ( -8.132 1.573 -5.835) 10.132 2.064 ( 2.082 10.237 10.292) 14.664 2.275 ( 1.520 1.006 1.501) 2.361 2.691 ( 0.117 -0.617 -5.616) 5.651 2.856 ( -6.368 0.453 -2.891) 7.009 2.940 ( 6.546 2.618 7.418) 10.234 3.183 ( 2.623 5.768 -3.470) 7.224 3.501 ( 13.448 -0.261 -9.905) 16.704 3.581 ( -8.028 -6.890 -5.475) 11.912 3.700 ( 1.679 -2.116 -2.365) 3.590 3.964 ( -4.899 -8.192 3.087) 10.032 4.279 ( -0.863 -1.841 0.155) 2.039 4.355 ( -0.989 0.293 -3.811) 3.949 4.558 ( -2.226 -2.696 4.595) 5.774 4.688 ( 2.405 -1.555 -1.436) 3.204 5.089 ( -3.506 2.025 1.714) 4.397 5.203 ( -0.651 3.403 -5.643) 6.622 5.350 ( -1.742 0.021 2.721) 3.230 5.636 ( -4.352 -5.760 -3.529) 8.036 6.100 ( -1.374 -3.884 -3.995) 5.738 6.173 ( -3.960 -1.987 -2.082) 4.896 6.332 ( 0.253 1.076 -3.354) 3.532 6.429 ( -1.279 -6.400 0.780) 6.573 6.688 ( -7.902 -1.651 -10.383) 13.153 6.989 ( 10.590 0.630 -6.969) 12.693 7.679 ( -1.372 9.064 1.752) 9.334 8.324 ( 0.328 -1.719 3.354) 3.783 8.363 ( -2.134 7.382 16.571) 18.266 8.866 ( 6.606 1.174 -4.474) 8.064 ======================= Grid point 99 (39/185) ======================= q-point: (-0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -4.825 25.224 9.714) 27.457 1.651 ( -4.973 2.189 -2.325) 5.910 2.007 ( -4.145 10.896 5.857) 13.046 2.259 ( -2.319 -0.784 2.147) 3.256 2.624 ( -7.114 7.055 -5.522) 11.440 2.775 ( -0.694 -3.941 -1.396) 4.238 3.011 ( -0.421 7.486 -1.960) 7.749 3.109 ( 4.113 2.653 1.984) 5.281 3.467 ( -2.122 -1.817 -5.403) 6.082 3.611 ( 0.042 -4.968 -4.270) 6.551 3.831 ( 8.216 -3.217 -4.910) 10.097 3.925 ( -5.542 -5.854 -1.885) 8.279 4.275 ( 1.045 0.019 2.204) 2.439 4.399 ( 2.571 -1.664 3.655) 4.769 4.610 ( -4.691 -9.620 11.530) 15.732 4.674 ( 0.781 -0.477 -9.943) 9.985 5.011 ( -3.712 1.375 -1.070) 4.100 5.150 ( 3.113 3.669 -3.502) 5.951 5.416 ( 0.854 -5.753 -0.717) 5.860 5.659 ( 2.472 -4.892 -1.077) 5.585 6.061 ( -4.382 0.078 -6.311) 7.683 6.106 ( -3.575 -5.054 -5.879) 8.538 6.314 ( 1.158 0.843 -1.762) 2.271 6.422 ( -2.391 -0.760 -0.326) 2.530 6.583 ( -4.866 -8.316 -4.990) 10.851 7.097 ( 7.310 -0.331 -7.820) 10.710 7.621 ( 3.261 8.598 3.813) 9.955 8.233 ( -2.980 17.300 2.709) 17.763 8.427 ( 2.557 -7.255 4.458) 8.891 8.989 ( 6.992 -0.813 2.061) 7.335 ======================= Grid point 100 (40/185) ======================= q-point: (-0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -4.108 24.441 13.269) 28.113 1.453 ( -12.730 12.685 1.955) 18.077 1.861 ( -2.554 9.039 5.691) 10.983 2.104 ( -15.187 19.771 -2.172) 25.025 2.368 ( -1.322 2.488 -2.511) 3.774 2.832 ( 0.349 -7.268 -1.364) 7.403 3.003 ( 4.171 -3.193 0.331) 5.264 3.190 ( 2.620 -0.773 2.923) 4.001 3.433 ( -3.841 -6.160 -4.498) 8.540 3.650 ( -2.890 -2.023 5.161) 6.252 3.785 ( -3.136 -5.596 -1.708) 6.639 4.018 ( 5.212 -4.249 -10.204) 12.220 4.335 ( 2.187 0.380 1.231) 2.538 4.460 ( 1.793 1.942 3.354) 4.270 4.583 ( -1.890 -3.126 2.973) 4.710 4.821 ( 6.358 -12.919 -0.085) 14.399 4.912 ( -3.800 2.682 -3.365) 5.740 5.201 ( 7.411 2.290 -2.492) 8.148 5.462 ( -1.394 -8.754 -2.598) 9.238 5.743 ( 2.496 -0.957 0.694) 2.761 5.917 ( -5.747 0.297 -4.769) 7.474 6.043 ( -3.837 -0.854 -6.324) 7.446 6.356 ( 2.852 -1.304 0.519) 3.178 6.414 ( -0.256 -2.917 -0.735) 3.019 6.570 ( -2.103 -4.655 -3.220) 6.038 7.147 ( 3.189 -0.895 -6.506) 7.301 7.663 ( 7.377 8.592 7.860) 13.785 8.004 ( -4.699 14.255 -2.944) 15.296 8.595 ( 6.663 -6.803 1.953) 9.720 9.092 ( 3.330 0.332 0.682) 3.415 ======================= Grid point 101 (41/185) ======================= q-point: (-0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -5.930 19.041 17.344) 26.430 1.037 ( -13.613 23.406 2.572) 27.198 1.552 ( -16.889 28.876 17.559) 37.781 1.850 ( 2.728 4.979 2.515) 6.209 2.388 ( 2.028 -1.826 -1.220) 2.989 2.888 ( -1.232 -7.469 -2.158) 7.871 3.151 ( 5.244 -4.933 1.419) 7.338 3.243 ( 0.358 -2.476 1.112) 2.738 3.397 ( -6.456 -7.091 -1.144) 9.657 3.579 ( -5.776 -2.569 0.179) 6.324 3.883 ( 2.741 -6.698 -0.168) 7.239 4.047 ( 3.445 -0.362 -6.623) 7.475 4.323 ( -0.421 1.761 -1.964) 2.671 4.428 ( -1.560 3.129 2.161) 4.110 4.737 ( 7.234 -1.179 -0.308) 7.336 4.791 ( -4.832 -4.739 -3.601) 7.666 5.058 ( 4.240 -12.669 1.637) 13.460 5.285 ( 8.766 4.818 -5.150) 11.250 5.531 ( 1.211 -9.523 -2.769) 9.991 5.736 ( 0.638 3.528 2.476) 4.357 5.883 ( -3.857 -2.560 1.095) 4.757 5.971 ( 1.338 -0.171 3.881) 4.109 6.367 ( 0.655 4.156 -2.797) 5.052 6.447 ( -0.307 -2.753 -1.017) 2.951 6.568 ( -0.061 -2.345 -1.680) 2.885 7.155 ( 0.982 -1.118 -4.243) 4.496 7.772 ( -3.460 0.178 10.426) 10.987 7.802 ( 7.732 14.224 -5.259) 17.023 8.791 ( 9.061 -3.879 -0.282) 9.860 9.094 ( -2.414 -0.595 -2.037) 3.214 ======================= Grid point 102 (42/185) ======================= q-point: (-0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -7.336 14.012 17.954) 23.927 0.764 ( -11.463 13.811 23.351) 29.452 1.362 ( 7.126 24.353 31.256) 40.259 1.897 ( 4.403 4.023 7.165) 9.322 2.419 ( 1.197 0.094 -1.821) 2.181 2.912 ( -2.195 -7.253 -3.704) 8.435 3.156 ( -5.477 -0.030 -5.821) 7.992 3.294 ( 0.006 -2.612 1.883) 3.219 3.328 ( -5.107 -0.914 0.252) 5.195 3.587 ( -0.649 -9.423 -3.186) 9.968 3.909 ( -1.025 -0.543 -2.850) 3.077 4.100 ( 6.208 3.466 -1.512) 7.269 4.302 ( -0.331 -0.557 -0.482) 0.807 4.398 ( -0.335 2.074 0.736) 2.226 4.620 ( -3.735 4.408 -10.162) 11.690 4.900 ( -0.875 -7.693 -0.692) 7.774 5.231 ( 1.461 -12.230 1.893) 12.462 5.331 ( 9.612 8.402 -6.991) 14.555 5.665 ( 4.667 -8.515 -3.394) 10.286 5.787 ( 5.088 6.002 5.091) 9.372 5.831 ( -1.402 -1.072 7.545) 7.749 6.125 ( 3.293 -4.426 7.368) 9.204 6.261 ( -2.311 9.492 -0.767) 9.800 6.452 ( -0.733 -2.059 -0.758) 2.314 6.597 ( 0.378 -3.060 -1.502) 3.429 7.201 ( 4.353 -8.101 -3.200) 9.737 7.654 ( -5.713 -1.799 0.306) 5.998 7.890 ( 4.123 9.465 5.571) 11.732 8.910 ( 2.814 0.566 -3.304) 4.377 9.064 ( -1.838 -6.083 0.204) 6.358 ======================= Grid point 105 (43/185) ======================= q-point: ( 0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 7.761 0.000 5.597) 9.569 1.826 ( 0.180 0.000 -2.129) 2.137 2.163 ( 8.342 0.000 0.893) 8.390 2.542 ( 4.125 0.000 12.683) 13.337 2.597 ( 5.763 0.000 13.136) 14.344 2.804 ( -3.362 -0.000 -7.212) 7.958 2.929 ( -2.940 -0.000 0.982) 3.100 3.149 ( 10.892 0.000 -0.505) 10.904 3.383 ( 6.977 0.000 -7.035) 9.908 3.470 ( -0.363 -0.000 -5.510) 5.522 3.511 ( -3.970 -0.000 -1.185) 4.143 4.062 ( -9.913 -0.000 0.409) 9.921 4.232 ( -1.108 -0.000 -2.962) 3.162 4.390 ( 4.160 0.000 -6.923) 8.076 4.558 ( -5.414 -0.000 12.436) 13.563 4.581 ( 9.552 0.000 -7.673) 12.252 5.207 ( -0.069 -0.000 -9.655) 9.656 5.356 ( -2.742 -0.000 -2.525) 3.727 5.584 ( -13.503 -0.000 8.478) 15.944 5.628 ( -9.648 -0.000 -6.815) 11.813 6.103 ( -3.074 -0.000 -1.067) 3.254 6.146 ( -0.823 -0.000 6.314) 6.367 6.271 ( -3.353 -0.000 -4.732) 5.800 6.356 ( 0.355 0.000 -1.328) 1.375 6.813 ( 15.343 0.000 -4.902) 16.107 6.942 ( -5.881 -0.000 -16.768) 17.770 7.852 ( -2.794 -0.000 10.974) 11.325 8.243 ( 5.613 0.000 27.845) 28.405 8.360 ( -11.601 -0.000 -3.918) 12.244 8.932 ( 2.167 0.000 -8.788) 9.051 ======================= Grid point 106 (44/185) ======================= q-point: ( 0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -2.641 1.379 -4.008) 4.994 1.838 ( 1.796 1.152 3.104) 3.766 2.265 ( 2.933 2.375 1.109) 3.934 2.482 ( 2.813 22.284 12.464) 25.688 2.682 ( -5.147 -0.446 -6.739) 8.491 2.805 ( -3.633 -7.519 1.932) 8.571 2.982 ( 6.417 0.711 7.050) 9.560 3.256 ( 5.487 1.942 -5.208) 7.810 3.393 ( -0.414 -6.634 -2.326) 7.043 3.477 ( 0.155 -2.955 -0.033) 2.959 3.625 ( 9.387 -4.908 0.337) 10.598 3.878 ( -10.450 -0.548 0.707) 10.488 4.207 ( -1.447 -2.575 -2.855) 4.108 4.389 ( 0.682 1.126 -7.004) 7.127 4.557 ( -2.912 0.727 9.565) 10.025 4.690 ( 9.104 0.771 -13.026) 15.911 5.151 ( -0.707 1.875 -5.061) 5.443 5.250 ( -3.290 5.276 -5.445) 8.265 5.411 ( -5.169 2.987 6.150) 8.571 5.489 ( -8.740 -8.460 -4.480) 12.962 6.047 ( -2.402 -0.972 -1.764) 3.134 6.150 ( -2.900 0.190 -1.577) 3.306 6.229 ( -2.709 -8.369 -1.064) 8.861 6.361 ( 0.691 0.138 -0.247) 0.747 6.708 ( -9.673 1.407 -13.259) 16.473 7.009 ( 12.564 0.868 -7.548) 14.683 7.803 ( -3.359 3.253 -2.110) 5.130 8.247 ( -5.128 -2.109 9.627) 11.109 8.484 ( 4.285 2.147 23.513) 23.997 8.910 ( 3.883 2.261 -8.683) 9.777 ======================= Grid point 107 (45/185) ======================= q-point: (-0.56 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -5.687 -0.031 -5.128) 7.658 1.820 ( 0.841 11.985 4.317) 12.766 2.240 ( -0.600 4.953 3.254) 5.956 2.351 ( -2.866 16.918 4.831) 17.826 2.625 ( -3.308 -6.593 1.393) 7.507 2.736 ( -5.093 2.783 0.283) 5.811 3.116 ( 5.205 2.328 7.279) 9.246 3.217 ( -2.930 6.198 -5.189) 8.598 3.380 ( -2.088 -4.274 -5.970) 7.633 3.571 ( 0.418 -3.165 -0.958) 3.333 3.773 ( 9.671 -2.593 -4.640) 11.035 3.821 ( -5.643 -4.937 2.362) 7.861 4.224 ( -0.271 -7.043 1.419) 7.189 4.333 ( -0.028 0.620 -1.053) 1.223 4.550 ( -2.077 1.554 6.575) 7.068 4.679 ( 1.699 1.356 -14.253) 14.418 5.046 ( -4.157 2.185 -3.412) 5.805 5.199 ( 3.819 0.773 -6.464) 7.548 5.366 ( -4.110 -0.364 2.788) 4.980 5.526 ( 5.655 -7.434 0.106) 9.341 6.017 ( -2.858 -3.123 -2.953) 5.162 6.053 ( -4.345 -0.505 -6.906) 8.175 6.287 ( -0.771 -7.404 1.263) 7.551 6.366 ( -0.925 -1.252 -1.331) 2.048 6.476 ( -8.491 -1.211 -6.875) 10.992 7.125 ( 9.127 2.592 -9.062) 13.120 7.723 ( 0.927 1.867 -5.069) 5.481 8.281 ( -4.620 -3.193 14.214) 15.283 8.560 ( 2.711 10.584 4.206) 11.708 8.967 ( 5.764 -0.853 2.620) 6.389 ======================= Grid point 108 (46/185) ======================= q-point: (-0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -6.264 6.988 -0.055) 9.385 1.685 ( -4.800 15.038 5.049) 16.573 2.157 ( -2.660 16.747 6.422) 18.132 2.222 ( -1.496 0.111 1.900) 2.421 2.598 ( -5.949 11.691 0.565) 13.129 2.669 ( -2.636 -8.392 2.583) 9.168 3.020 ( -2.552 6.491 -7.402) 10.170 3.189 ( 1.296 1.333 3.020) 3.547 3.351 ( -0.943 -2.012 -5.699) 6.117 3.611 ( 1.587 -2.421 2.169) 3.618 3.694 ( -8.902 -2.086 -0.815) 9.180 3.932 ( 6.148 -5.002 -7.738) 11.077 4.311 ( 2.463 -3.644 3.377) 5.546 4.450 ( 2.505 -7.290 8.462) 11.446 4.535 ( -3.071 1.758 6.132) 7.080 4.628 ( 3.407 -3.694 -9.384) 10.645 4.945 ( -2.236 0.441 -9.403) 9.675 5.257 ( 5.234 -1.268 -1.878) 5.703 5.346 ( 1.172 -0.410 -0.857) 1.509 5.698 ( 5.480 -3.357 0.821) 6.478 5.905 ( -5.923 -1.449 -5.548) 8.245 6.020 ( -0.828 -1.368 -2.754) 3.184 6.307 ( -1.761 -2.222 -0.007) 2.835 6.368 ( 0.068 -3.649 0.754) 3.726 6.420 ( -2.464 -8.113 -2.439) 8.823 7.162 ( 5.299 2.895 -8.668) 10.564 7.748 ( 4.882 0.097 -1.307) 5.055 8.228 ( -9.154 5.087 4.475) 11.388 8.553 ( 7.879 4.662 -1.548) 9.285 9.081 ( 2.185 -1.036 5.275) 5.802 ======================= Grid point 109 (47/185) ======================= q-point: (-0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -6.979 14.423 8.407) 18.095 1.431 ( -8.759 16.304 4.442) 19.033 2.023 ( -4.277 16.030 -3.177) 16.892 2.092 ( -3.827 16.402 8.495) 18.864 2.390 ( 0.087 6.541 1.512) 6.714 2.717 ( -3.542 -9.531 0.714) 10.193 3.033 ( 4.278 -4.768 2.714) 6.958 3.198 ( -0.900 -0.725 -0.821) 1.418 3.328 ( 0.119 -0.642 -2.950) 3.022 3.558 ( -4.647 -0.553 -0.732) 4.737 3.712 ( -0.938 -8.972 -1.510) 9.146 4.022 ( 5.702 -2.217 -2.620) 6.655 4.362 ( 0.413 1.227 -2.286) 2.627 4.483 ( -4.007 0.277 5.156) 6.536 4.570 ( 1.443 -5.241 3.446) 6.436 4.792 ( 3.202 -13.454 2.822) 14.115 4.856 ( 1.987 3.124 -10.746) 11.366 5.353 ( 1.911 -6.680 1.436) 7.095 5.415 ( 10.634 5.024 -3.527) 12.279 5.760 ( 1.253 -0.523 1.267) 1.857 5.853 ( -1.947 -0.948 2.532) 3.331 5.992 ( 0.346 1.660 0.880) 1.910 6.346 ( -0.686 -6.538 -0.971) 6.645 6.390 ( 1.046 -0.721 -0.920) 1.569 6.475 ( -0.430 -7.816 -0.624) 7.852 7.159 ( 2.510 1.865 -6.368) 7.095 7.816 ( -1.043 2.434 4.581) 5.292 8.015 ( -1.529 7.404 -7.404) 10.582 8.694 ( 8.774 -3.932 -0.937) 9.660 9.088 ( -4.712 0.097 1.168) 4.856 ======================= Grid point 110 (48/185) ======================= q-point: (-0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -8.131 17.174 14.572) 23.946 1.114 ( -8.097 26.571 1.233) 27.805 1.726 ( -1.997 12.798 5.491) 14.069 2.081 ( 5.850 12.466 11.566) 17.983 2.418 ( 3.272 1.397 3.655) 5.100 2.745 ( -3.687 -9.533 -1.971) 10.409 3.140 ( -3.879 -0.611 -4.896) 6.276 3.181 ( 1.302 -5.146 5.659) 7.759 3.326 ( 1.221 0.167 -3.737) 3.935 3.516 ( -0.533 0.398 -0.642) 0.925 3.789 ( 0.718 -10.768 -0.814) 10.822 4.135 ( 6.523 0.091 0.348) 6.533 4.314 ( -1.349 1.536 -2.846) 3.505 4.437 ( -2.288 1.690 -0.302) 2.860 4.616 ( -5.874 -6.590 -0.638) 8.851 4.816 ( 2.480 0.468 -4.595) 5.242 4.990 ( 3.000 -10.478 2.833) 11.261 5.476 ( 6.933 -0.449 -2.829) 7.502 5.526 ( 7.326 0.411 -0.023) 7.337 5.787 ( -3.117 -1.777 2.899) 4.613 5.893 ( 6.897 2.690 10.772) 13.071 6.064 ( 4.655 -0.822 7.652) 8.994 6.367 ( -0.576 -4.193 -3.483) 5.482 6.393 ( -1.003 0.396 -2.761) 2.964 6.533 ( 0.335 -4.140 0.335) 4.167 7.128 ( 0.055 0.043 -6.824) 6.824 7.659 ( -7.832 3.647 -0.234) 8.643 8.045 ( 6.635 3.736 -0.381) 7.624 8.862 ( 3.703 -5.893 -4.910) 8.517 8.955 ( -8.644 -2.367 -0.073) 8.963 ======================= Grid point 111 (49/185) ======================= q-point: (-0.11 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.317 12.256 15.972) 20.135 1.018 ( 8.516 14.127 14.582) 22.017 1.749 ( 5.872 4.173 8.810) 11.380 2.143 ( 5.241 8.142 9.974) 13.901 2.488 ( 4.909 6.694 9.662) 12.738 2.763 ( -1.611 -8.561 -5.928) 10.537 3.029 ( -5.306 0.016 -3.913) 6.593 3.212 ( -3.373 -2.416 -0.671) 4.203 3.323 ( 1.750 1.709 -4.971) 5.540 3.505 ( -0.358 -1.143 -1.966) 2.302 3.916 ( 3.410 -3.262 2.093) 5.163 4.222 ( 5.179 2.540 -1.645) 5.998 4.277 ( -1.206 -1.414 -1.645) 2.482 4.380 ( -2.636 0.078 -0.579) 2.699 4.511 ( -5.110 1.069 -5.876) 7.860 4.824 ( -2.138 -2.559 -1.624) 3.709 5.150 ( 1.800 -10.715 2.628) 11.178 5.453 ( -2.704 5.354 -0.933) 6.070 5.683 ( 5.487 -6.166 1.412) 8.374 5.825 ( 2.064 -0.378 5.710) 6.084 6.061 ( 8.527 4.966 10.415) 14.347 6.172 ( 1.738 0.963 2.294) 3.035 6.299 ( -0.218 5.724 -5.322) 7.819 6.397 ( -1.020 -4.075 -0.609) 4.245 6.556 ( -1.798 -1.333 -0.161) 2.244 7.146 ( 3.027 -9.386 -7.190) 12.205 7.582 ( -1.445 -1.506 3.802) 4.337 8.014 ( -3.240 11.178 4.258) 12.392 8.786 ( -7.834 -8.684 -0.716) 11.718 8.991 ( 0.162 -5.468 -5.173) 7.528 ======================= Grid point 115 (50/185) ======================= q-point: (-0.67 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -5.003 -0.000 -5.126) 7.163 1.922 ( 3.661 0.000 2.253) 4.299 2.324 ( 1.100 0.000 1.690) 2.017 2.500 ( -11.295 -0.000 -2.982) 11.682 2.574 ( -7.514 -0.000 -1.279) 7.622 2.801 ( 0.992 0.000 6.305) 6.383 3.135 ( 5.683 0.000 7.191) 9.165 3.317 ( 4.457 0.000 -1.901) 4.845 3.363 ( 1.054 0.000 2.890) 3.076 3.432 ( -5.309 -0.000 4.572) 7.006 3.737 ( -4.584 -0.000 1.717) 4.896 3.773 ( 7.551 0.000 -2.910) 8.093 4.152 ( -0.537 -0.000 -2.955) 3.004 4.351 ( -1.116 -0.000 -4.601) 4.735 4.573 ( -2.023 -0.000 7.385) 7.657 4.711 ( 6.102 0.000 -22.884) 23.684 5.075 ( -7.876 -0.000 -3.572) 8.648 5.227 ( -5.414 -0.000 3.116) 6.247 5.312 ( 3.919 0.000 -10.441) 11.152 5.463 ( 5.591 0.000 6.899) 8.880 5.989 ( -3.185 -0.000 -2.351) 3.959 6.050 ( -4.213 -0.000 -8.326) 9.331 6.177 ( -0.362 -0.000 3.862) 3.879 6.366 ( 0.051 0.000 -0.374) 0.377 6.470 ( -10.341 -0.000 -8.562) 13.425 7.159 ( 10.502 0.000 -9.330) 14.047 7.729 ( -1.308 -0.000 -10.094) 10.179 8.257 ( -3.879 -0.000 17.485) 17.910 8.659 ( 1.986 0.000 9.743) 9.943 8.963 ( 5.161 0.000 -0.317) 5.171 ======================= Grid point 117 (51/185) ======================= q-point: (-0.56 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -4.361 0.379 -2.213) 4.905 1.953 ( 1.342 8.581 1.241) 8.774 2.216 ( -9.998 4.245 3.958) 11.560 2.394 ( -2.411 -0.015 -3.026) 3.869 2.457 ( -6.130 -6.480 2.878) 9.373 2.788 ( -1.347 5.255 3.966) 6.720 3.200 ( -1.920 6.683 -6.369) 9.429 3.268 ( 1.917 8.796 8.426) 12.330 3.341 ( 0.666 0.728 -3.087) 3.241 3.542 ( 1.899 -5.366 7.777) 9.637 3.708 ( -5.885 1.608 -4.891) 7.819 3.789 ( 0.762 -8.440 -3.905) 9.331 4.199 ( 2.512 -4.150 3.444) 5.950 4.355 ( 2.607 -1.703 4.327) 5.331 4.575 ( -1.917 0.936 5.537) 5.934 4.657 ( 5.046 4.647 -16.655) 18.012 4.912 ( -6.451 -3.471 -8.070) 10.899 5.183 ( -3.088 -2.945 2.847) 5.130 5.385 ( 9.548 1.421 -6.670) 11.734 5.641 ( 8.186 -1.628 4.477) 9.471 5.873 ( -5.822 -1.256 -5.900) 8.384 6.000 ( 0.212 -0.518 -1.465) 1.569 6.223 ( -0.162 -5.541 2.423) 6.050 6.289 ( -6.685 -0.226 -2.542) 7.155 6.366 ( -0.259 -0.783 -0.733) 1.104 7.240 ( 7.693 3.635 -9.585) 12.816 7.687 ( 1.891 -4.044 -9.665) 10.647 8.273 ( -6.462 1.203 14.701) 16.104 8.670 ( 2.483 3.998 -6.676) 8.168 9.066 ( 2.607 -0.397 7.576) 8.022 ======================= Grid point 118 (52/185) ======================= q-point: (-0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -2.816 2.997 2.516) 4.821 1.750 ( -10.032 16.210 7.067) 20.331 2.152 ( -0.936 -3.303 -0.143) 3.436 2.313 ( -0.316 10.053 0.769) 10.088 2.490 ( -3.604 -9.037 0.908) 9.771 2.686 ( -5.736 10.835 0.777) 12.284 3.031 ( 1.012 5.006 -5.415) 7.443 3.278 ( 1.279 7.690 6.358) 10.060 3.333 ( 1.527 1.127 -2.934) 3.494 3.537 ( -5.385 -1.553 -6.335) 8.459 3.601 ( -0.547 -0.749 -0.122) 0.935 3.933 ( 4.223 -8.325 4.199) 10.236 4.294 ( -0.561 -6.385 3.214) 7.170 4.460 ( -1.713 0.678 6.733) 6.980 4.579 ( 1.105 -6.043 3.314) 6.980 4.614 ( 1.799 4.499 -3.472) 5.960 4.862 ( 4.122 -3.117 -13.123) 14.104 5.220 ( -0.569 -5.678 6.147) 8.387 5.508 ( 11.519 3.272 -4.452) 12.775 5.751 ( 2.411 0.275 1.065) 2.651 5.827 ( -0.125 -1.898 1.558) 2.458 6.018 ( 1.626 0.783 2.183) 2.833 6.226 ( -2.974 -4.856 0.655) 5.732 6.287 ( -1.531 -8.387 -1.385) 8.637 6.382 ( 1.330 -0.930 1.842) 2.455 7.238 ( 4.681 6.046 -8.236) 11.238 7.754 ( 3.987 -8.329 -7.581) 11.948 8.153 ( -9.820 6.909 4.637) 12.871 8.659 ( 4.977 -0.619 -9.232) 10.506 9.101 ( -3.143 1.117 4.679) 5.746 ======================= Grid point 119 (53/185) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -4.594 11.551 7.760) 14.655 1.526 ( -2.101 14.549 6.124) 15.925 2.044 ( -8.132 20.735 -6.113) 23.096 2.192 ( 1.175 0.574 -1.582) 2.052 2.506 ( 3.244 2.556 2.447) 4.801 2.560 ( -4.843 -5.835 3.171) 8.219 3.081 ( 2.045 -3.733 -2.345) 4.860 3.246 ( 0.409 7.321 7.350) 10.382 3.331 ( 2.136 0.917 -4.870) 5.397 3.526 ( 2.299 -5.316 0.649) 5.828 3.591 ( -0.084 -1.079 -1.062) 1.516 4.098 ( 4.125 -4.618 4.076) 7.413 4.321 ( -2.922 -3.571 -3.323) 5.686 4.409 ( -5.463 -1.727 6.091) 8.363 4.561 ( -1.702 2.295 -1.400) 3.181 4.715 ( 2.088 -6.982 2.032) 7.566 4.933 ( 8.194 0.359 -6.134) 10.242 5.345 ( 2.722 -7.209 7.412) 10.692 5.638 ( 10.083 5.175 -2.597) 11.627 5.766 ( -2.278 0.117 1.293) 2.622 5.897 ( 4.960 -1.496 9.436) 10.765 6.086 ( 4.960 2.002 7.637) 9.324 6.249 ( -2.011 -6.221 -1.007) 6.615 6.332 ( -0.736 -8.137 -2.603) 8.575 6.441 ( 1.244 -2.944 2.519) 4.069 7.186 ( 1.339 5.592 -8.391) 10.172 7.770 ( -5.835 3.594 -5.438) 8.749 8.010 ( 1.629 -3.375 -2.533) 4.523 8.720 ( 2.100 -7.903 -9.495) 12.531 8.989 ( -7.816 4.608 0.884) 9.116 ======================= Grid point 120 (54/185) ======================= q-point: (-0.22 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -2.546 22.120 5.230) 22.872 1.356 ( 4.546 21.257 3.977) 22.099 1.806 ( -0.264 4.388 2.643) 5.129 2.199 ( 0.087 -0.832 -1.359) 1.596 2.582 ( -1.213 -8.750 -2.816) 9.271 2.614 ( 7.137 3.409 9.846) 12.630 3.025 ( -5.465 -1.223 -8.075) 9.827 3.251 ( 0.100 5.967 7.054) 9.240 3.336 ( 2.444 -0.191 -6.383) 6.837 3.578 ( 3.885 7.656 3.216) 9.168 3.741 ( 5.944 -13.116 4.878) 15.204 4.193 ( -0.207 -5.340 -2.680) 5.978 4.266 ( -0.938 0.199 -1.631) 1.892 4.379 ( -4.365 -1.982 3.049) 5.682 4.507 ( -2.785 1.427 1.576) 3.504 4.787 ( 1.078 -2.233 -2.786) 3.730 5.025 ( 4.412 -1.126 0.856) 4.633 5.499 ( -0.100 -4.369 2.210) 4.897 5.610 ( -2.039 2.508 4.335) 5.407 5.828 ( 5.242 0.562 3.978) 6.604 6.075 ( 4.597 -2.652 8.083) 9.669 6.219 ( 6.288 1.683 9.801) 11.766 6.280 ( 0.502 -4.879 -0.162) 4.908 6.357 ( -0.626 -1.597 -4.007) 4.359 6.509 ( 0.833 -3.811 1.896) 4.337 7.068 ( -1.153 2.258 -12.717) 12.967 7.606 ( -2.368 3.667 -2.408) 4.985 8.113 ( 2.694 -3.457 -0.650) 4.431 8.643 ( -13.174 -6.077 -5.926) 15.672 8.897 ( 1.196 -1.453 -4.276) 4.672 ======================= Grid point 121 (55/185) ======================= q-point: (-0.11 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 4.803 11.220 11.501) 16.770 1.422 ( 15.470 12.349 6.236) 20.753 1.870 ( 4.604 -1.269 4.857) 6.811 2.193 ( -1.481 -1.867 -1.630) 2.887 2.634 ( 1.722 -6.997 -7.382) 10.317 2.780 ( 7.649 3.509 11.174) 13.988 2.896 ( -5.490 -2.666 -4.964) 7.867 3.204 ( -1.784 6.187 2.480) 6.900 3.309 ( 0.373 -0.098 -10.354) 10.361 3.586 ( 4.291 9.756 4.989) 11.767 3.958 ( 4.017 -4.718 2.871) 6.830 4.160 ( -5.181 -5.125 -5.531) 9.149 4.295 ( 2.642 -1.571 -0.685) 3.149 4.343 ( -1.854 0.988 0.518) 2.164 4.464 ( -0.782 2.909 4.407) 5.338 4.764 ( -1.447 1.379 -3.986) 4.459 5.121 ( 1.861 -5.172 2.217) 5.927 5.367 ( -10.405 1.571 2.779) 10.884 5.715 ( 2.682 -4.618 3.128) 6.189 5.871 ( -4.621 1.481 7.485) 8.921 6.158 ( 0.222 -2.188 1.267) 2.538 6.287 ( 1.880 3.080 -9.841) 10.482 6.341 ( 3.604 5.152 4.317) 7.627 6.378 ( 3.110 -4.326 5.654) 7.769 6.527 ( 0.889 1.933 -1.082) 2.387 7.056 ( 2.786 -7.591 -9.104) 12.176 7.591 ( 1.254 -1.964 0.273) 2.347 8.084 ( -3.372 8.157 7.531) 11.603 8.533 ( -7.946 -13.267 -1.557) 15.543 8.894 ( -0.822 -3.413 -8.488) 9.185 ======================= Grid point 126 (56/185) ======================= q-point: (-0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -1.833 -0.000 2.233) 2.888 1.997 ( -17.670 -0.000 8.003) 19.398 2.057 ( 4.205 0.000 -2.674) 4.983 2.356 ( -1.229 -0.000 4.447) 4.614 2.404 ( 0.663 0.000 0.654) 0.931 2.786 ( -2.642 -0.000 1.448) 3.013 3.138 ( -2.544 -0.000 -12.534) 12.790 3.315 ( 0.583 0.000 -7.591) 7.613 3.404 ( -0.407 -0.000 5.316) 5.331 3.526 ( -8.598 -0.000 -11.096) 14.037 3.705 ( 6.592 0.000 16.530) 17.796 3.708 ( 0.586 0.000 1.121) 1.265 4.234 ( 0.650 0.000 3.653) 3.711 4.448 ( 4.419 0.000 7.743) 8.915 4.545 ( -6.057 -0.000 3.158) 6.831 4.727 ( 8.991 0.000 -14.108) 16.729 4.754 ( -2.481 -0.000 -0.617) 2.556 5.160 ( 0.239 0.000 3.146) 3.155 5.538 ( 11.061 0.000 -5.001) 12.139 5.772 ( 4.564 0.000 2.996) 5.459 5.788 ( -0.339 -0.000 0.351) 0.487 6.024 ( 2.561 0.000 3.160) 4.067 6.178 ( -5.313 -0.000 0.821) 5.376 6.195 ( -1.056 -0.000 -0.534) 1.184 6.373 ( 0.943 0.000 1.760) 1.997 7.333 ( 6.934 0.000 -8.261) 10.785 7.625 ( 1.678 0.000 -11.033) 11.160 8.232 ( -8.624 -0.000 9.884) 13.118 8.650 ( 1.175 0.000 -14.503) 14.551 9.116 ( -1.540 -0.000 5.619) 5.827 ======================= Grid point 128 (57/185) ======================= q-point: (-0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.000 2.042 5.421) 5.793 1.767 ( -6.455 9.191 6.806) 13.133 2.121 ( 2.539 -3.089 -3.611) 5.388 2.374 ( -3.966 -5.678 4.791) 8.422 2.427 ( 1.698 9.335 2.804) 9.894 2.684 ( -4.193 9.124 -2.853) 10.439 3.028 ( 1.001 -0.720 -8.678) 8.765 3.239 ( -1.957 -4.203 -13.098) 13.894 3.384 ( -1.006 1.310 0.049) 1.652 3.427 ( -1.245 -2.123 -0.499) 2.511 3.696 ( 1.919 5.353 3.574) 6.717 3.944 ( 2.700 -7.684 10.743) 13.481 4.254 ( -0.994 -1.028 2.642) 3.004 4.431 ( -6.396 1.421 4.343) 7.861 4.561 ( 2.005 -1.784 3.239) 4.206 4.727 ( 5.256 7.376 0.347) 9.064 4.881 ( 8.380 -6.129 -3.777) 11.048 5.229 ( 2.199 -3.797 6.549) 7.884 5.691 ( 10.157 0.669 -1.245) 10.255 5.801 ( -1.197 2.513 1.638) 3.230 5.863 ( 4.150 -1.572 5.737) 7.253 6.109 ( 0.619 -0.426 7.339) 7.377 6.152 ( 1.903 -2.235 4.052) 5.004 6.180 ( -1.527 -4.848 -2.158) 5.522 6.410 ( 0.765 -0.758 3.286) 3.458 7.336 ( 3.948 8.804 -7.943) 12.498 7.642 ( 1.552 -11.099 -12.685) 16.926 8.091 ( -8.383 6.494 4.197) 11.404 8.572 ( -1.839 -5.837 -17.502) 18.542 9.073 ( -4.124 2.790 1.148) 5.110 ======================= Grid point 129 (58/185) ======================= q-point: (-0.33 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 5.187 8.236 4.201) 10.601 1.702 ( 3.800 10.202 6.021) 12.441 2.083 ( -6.795 18.866 -6.496) 21.079 2.184 ( -1.561 5.257 -5.212) 7.566 2.398 ( -2.912 -8.722 1.181) 9.271 2.676 ( 6.057 2.292 6.848) 9.425 2.995 ( -2.723 -1.496 -10.653) 11.096 3.273 ( 2.995 -5.312 -1.783) 6.353 3.355 ( 0.036 0.979 -3.419) 3.556 3.485 ( 1.892 -9.295 2.871) 9.911 3.704 ( 1.147 0.528 1.014) 1.620 4.062 ( -1.344 -4.936 5.523) 7.529 4.262 ( -0.238 0.043 2.982) 2.992 4.359 ( -3.981 1.010 4.382) 6.006 4.596 ( 1.559 5.142 4.351) 6.914 4.768 ( 5.077 2.814 0.806) 5.861 5.036 ( 7.107 -0.052 -2.010) 7.386 5.372 ( 2.867 -6.720 7.291) 10.322 5.699 ( -7.121 4.824 3.647) 9.343 5.839 ( 5.700 0.286 4.104) 7.030 6.006 ( 4.357 -3.865 6.806) 8.958 6.126 ( -2.398 -4.996 0.879) 5.611 6.227 ( 0.763 -9.162 -0.592) 9.212 6.322 ( 8.040 3.366 11.271) 14.248 6.449 ( 0.791 -2.108 3.728) 4.355 7.205 ( -0.106 10.482 -14.182) 17.636 7.650 ( -2.008 -3.643 -12.113) 12.807 7.995 ( 0.682 -1.738 2.455) 3.084 8.472 ( -9.539 -10.912 -15.097) 20.928 8.966 ( -1.902 5.616 -2.792) 6.554 ======================= Grid point 130 (59/185) ======================= q-point: (-0.22 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 0.867 25.293 0.563) 25.314 1.694 ( 12.008 15.594 0.467) 19.687 1.851 ( 1.189 0.585 3.153) 3.420 2.148 ( -2.089 -2.079 -2.598) 3.929 2.470 ( 1.567 -9.317 -3.522) 10.083 2.822 ( 6.359 0.145 7.977) 10.202 2.870 ( -4.104 1.328 -8.912) 9.901 3.281 ( -2.953 0.394 -3.268) 4.422 3.325 ( 1.768 1.853 -7.235) 7.675 3.645 ( -1.022 -10.196 -0.438) 10.257 3.796 ( 6.159 -8.013 4.227) 10.955 4.078 ( -3.079 -1.284 3.023) 4.502 4.285 ( 1.034 0.805 3.824) 4.043 4.332 ( -2.003 -0.793 3.521) 4.128 4.586 ( 2.440 9.701 8.099) 12.870 4.817 ( 3.543 3.419 -2.226) 5.403 5.094 ( 2.898 2.266 0.201) 3.684 5.411 ( -8.971 1.510 1.321) 9.192 5.637 ( 0.482 -2.747 8.820) 9.251 5.887 ( -5.152 -0.093 7.983) 9.502 6.098 ( 0.719 -3.058 -0.854) 3.256 6.210 ( 1.997 -8.890 4.366) 10.104 6.313 ( 0.875 -2.947 -1.755) 3.539 6.402 ( 0.281 -1.019 2.614) 2.819 6.571 ( 7.837 2.522 5.206) 9.741 7.030 ( 2.628 6.620 -13.380) 15.158 7.573 ( -0.529 -0.705 -9.801) 9.840 8.115 ( 3.797 -5.867 3.464) 7.800 8.293 ( -13.667 -10.171 -7.242) 18.511 8.887 ( 0.539 3.159 -6.871) 7.582 ======================= Grid point 131 (60/185) ======================= q-point: (-0.11 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.638 11.318 5.716) 12.696 1.795 ( 9.809 9.219 5.659) 14.602 1.981 ( 6.875 -1.663 2.762) 7.593 2.118 ( -0.456 -2.057 -4.231) 4.727 2.578 ( 4.965 -7.152 -6.410) 10.812 2.747 ( -2.929 0.181 -5.179) 5.953 2.975 ( 5.029 -1.213 7.267) 8.920 3.157 ( -6.337 0.765 -7.033) 9.498 3.303 ( 5.028 2.913 -9.844) 11.431 3.676 ( -2.809 -7.242 -2.256) 8.089 3.969 ( -0.446 -1.296 2.424) 2.785 4.047 ( 0.094 -0.968 1.851) 2.091 4.321 ( 0.405 -0.615 1.019) 1.257 4.334 ( -0.304 -0.190 2.784) 2.807 4.600 ( 3.592 10.012 9.777) 14.448 4.780 ( 1.683 7.624 -3.452) 8.536 5.127 ( 0.515 -0.654 2.479) 2.615 5.209 ( -11.493 0.655 4.305) 12.290 5.692 ( -6.716 -0.711 1.417) 6.900 5.785 ( -6.221 -0.458 5.031) 8.014 6.138 ( 1.697 -3.220 -2.594) 4.469 6.296 ( 1.845 1.422 -6.777) 7.166 6.361 ( -1.136 -7.702 5.271) 9.402 6.388 ( -0.161 1.028 -0.944) 1.405 6.695 ( 10.353 4.881 -0.702) 11.468 7.006 ( 1.428 0.493 -6.022) 6.208 7.538 ( -0.490 -5.969 -8.206) 10.159 8.134 ( -7.111 -0.989 12.479) 14.397 8.300 ( 1.630 -11.067 -1.765) 11.325 8.825 ( 0.595 1.259 -9.488) 9.589 ======================= Grid point 137 (61/185) ======================= q-point: ( 0.56 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 5.631 0.000 4.233) 7.045 1.825 ( 4.087 0.000 3.797) 5.579 2.123 ( 1.529 0.000 -4.116) 4.391 2.286 ( -6.768 -0.000 5.521) 8.734 2.565 ( 2.815 0.000 2.489) 3.757 2.609 ( -6.094 -0.000 -10.503) 12.143 2.979 ( 1.746 0.000 -6.482) 6.713 3.163 ( 4.078 0.000 -5.115) 6.542 3.340 ( -2.404 -0.000 -3.072) 3.901 3.413 ( -0.318 -0.000 0.318) 0.449 3.666 ( -3.429 -0.000 -3.440) 4.857 4.030 ( 0.860 0.000 9.659) 9.697 4.270 ( 0.453 0.000 4.990) 5.010 4.376 ( -4.252 -0.000 3.883) 5.758 4.634 ( 3.782 0.000 6.552) 7.565 4.887 ( 7.471 0.000 -6.147) 9.674 4.993 ( 8.385 0.000 10.741) 13.626 5.288 ( 2.937 0.000 4.887) 5.702 5.763 ( -7.478 -0.000 5.073) 9.037 5.834 ( 3.970 0.000 5.259) 6.589 5.955 ( 3.944 0.000 3.314) 5.152 6.093 ( -1.953 -0.000 -3.892) 4.355 6.102 ( 0.445 0.000 5.216) 5.235 6.364 ( 10.473 0.000 14.250) 17.684 6.421 ( -1.341 -0.000 2.702) 3.017 7.434 ( 2.927 0.000 -4.544) 5.405 7.457 ( -0.191 -0.000 -22.667) 22.668 8.054 ( -4.052 -0.000 7.771) 8.764 8.314 ( -8.667 -0.000 -24.211) 25.716 9.030 ( -2.160 -0.000 -3.243) 3.896 ======================= Grid point 139 (62/185) ======================= q-point: (-0.33 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 10.715 2.044 3.760) 11.538 1.919 ( 8.231 9.028 1.893) 12.363 2.069 ( -4.507 4.236 -3.266) 6.994 2.208 ( -2.284 12.526 -8.281) 15.188 2.312 ( -2.233 1.556 -1.792) 3.258 2.709 ( 0.638 -13.668 -4.190) 14.310 2.938 ( -1.659 3.010 -4.439) 5.614 3.249 ( 1.811 -2.636 -5.218) 6.120 3.317 ( 0.186 -1.786 -2.342) 2.951 3.431 ( 0.456 -5.897 1.887) 6.208 3.645 ( 1.211 -5.132 -0.950) 5.358 4.067 ( -2.131 -0.535 8.130) 8.422 4.308 ( 0.456 0.894 4.889) 4.991 4.334 ( -2.401 0.394 2.302) 3.349 4.732 ( 2.979 2.569 9.377) 10.169 4.936 ( 7.446 7.773 -2.354) 11.018 5.174 ( 6.686 4.775 5.356) 9.808 5.375 ( -0.056 -4.703 1.991) 5.107 5.635 ( -9.250 1.907 11.246) 14.686 5.868 ( -6.429 -1.474 9.991) 11.971 6.042 ( 0.896 -3.184 2.007) 3.869 6.062 ( 0.486 -4.235 -1.936) 4.682 6.204 ( 3.949 -4.394 3.923) 7.092 6.391 ( -3.002 0.003 0.557) 3.053 6.608 ( 9.997 0.988 6.629) 12.036 7.254 ( 3.813 13.442 -15.380) 20.779 7.504 ( 0.473 -7.717 -11.765) 14.078 7.993 ( -5.651 -2.909 -13.841) 15.230 8.125 ( -4.464 -6.433 2.219) 8.138 8.963 ( -0.228 2.883 -7.071) 7.639 ======================= Grid point 140 (63/185) ======================= q-point: (-0.22 0.56 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -6.367 25.043 -4.364) 26.206 1.920 ( 5.108 0.009 6.622) 8.363 2.012 ( 0.379 7.973 -0.856) 8.027 2.099 ( 7.573 1.926 -5.356) 9.473 2.414 ( 6.419 -9.368 -3.728) 11.953 2.784 ( 1.158 -0.621 -5.756) 5.904 2.875 ( -3.627 -9.954 -3.864) 11.277 3.169 ( -5.116 0.914 -9.856) 11.143 3.324 ( 2.841 -0.452 -6.248) 6.879 3.504 ( 0.465 -3.832 0.912) 3.966 3.818 ( 6.124 -11.098 3.255) 13.087 4.074 ( -3.156 1.210 9.109) 9.716 4.319 ( -0.976 -0.539 2.082) 2.362 4.322 ( -0.895 0.349 3.211) 3.352 4.789 ( 0.783 5.606 11.821) 13.107 4.959 ( 6.796 9.575 -2.671) 12.041 5.191 ( 1.945 7.734 2.079) 8.241 5.268 ( -12.070 4.583 4.865) 13.797 5.656 ( -1.928 -3.464 7.945) 8.879 5.775 ( -8.865 -0.306 5.859) 10.630 6.059 ( 0.072 -4.671 -3.001) 5.553 6.179 ( 1.325 -9.085 4.086) 10.049 6.311 ( 1.094 -0.823 -0.357) 1.415 6.347 ( -1.754 -3.681 -0.427) 4.100 6.745 ( 10.579 1.662 -10.512) 15.006 7.153 ( 3.388 13.045 0.847) 13.504 7.446 ( -1.360 -3.312 -18.565) 18.908 7.901 ( -8.965 -17.892 -6.756) 21.122 8.227 ( 5.955 -0.053 11.437) 12.895 8.886 ( 0.993 3.729 -9.849) 10.578 ======================= Grid point 141 (64/185) ======================= q-point: (-0.11 -0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -7.384 11.759 -0.490) 13.894 1.899 ( -8.686 -1.594 0.138) 8.832 1.994 ( 2.538 3.461 2.596) 5.016 2.214 ( 6.174 -0.556 -0.237) 6.204 2.606 ( 9.671 -3.645 -4.249) 11.175 2.771 ( 4.428 3.077 -0.215) 5.397 2.916 ( -5.803 -14.182 -7.951) 17.263 3.010 ( -3.740 -1.223 -9.013) 9.834 3.354 ( 7.291 -0.460 -11.777) 13.859 3.557 ( 2.350 -1.232 1.615) 3.106 3.971 ( -1.840 0.785 2.919) 3.539 4.070 ( 0.357 -2.389 6.112) 6.572 4.298 ( -2.397 -0.139 0.397) 2.434 4.343 ( -0.387 -1.427 3.198) 3.523 4.751 ( -1.041 8.974 -0.349) 9.041 4.948 ( -1.896 10.799 10.516) 15.192 5.062 ( -6.840 -0.835 2.966) 7.502 5.167 ( -0.498 5.897 4.374) 7.359 5.546 ( -6.318 4.199 -3.153) 8.216 5.760 ( -1.236 -0.251 2.386) 2.699 6.111 ( 2.067 -5.703 -3.509) 7.008 6.246 ( -4.060 -1.948 -1.295) 4.686 6.318 ( 2.201 -4.481 -2.261) 5.480 6.386 ( 0.943 -2.189 1.001) 2.585 6.850 ( 10.102 -1.062 -11.483) 15.330 7.039 ( -2.774 10.495 -3.490) 11.403 7.396 ( -0.662 -7.931 -8.028) 11.305 7.935 ( -6.024 -15.170 4.883) 17.037 8.408 ( 6.964 1.815 9.864) 12.210 8.821 ( 3.208 2.726 -10.326) 11.151 ======================= Grid point 148 (65/185) ======================= q-point: (-0.33 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 4.483 0.000 5.739) 7.282 1.954 ( -7.799 -0.000 0.616) 7.824 2.201 ( 0.092 0.000 -3.946) 3.947 2.227 ( 18.528 0.000 -5.779) 19.408 2.282 ( -6.108 -0.000 -10.099) 11.802 2.496 ( -3.224 -0.000 -9.930) 10.440 2.857 ( -2.093 -0.000 -4.767) 5.206 3.182 ( -5.219 -0.000 -9.963) 11.247 3.339 ( 3.509 0.000 -3.279) 4.803 3.496 ( 6.492 0.000 7.946) 10.261 3.667 ( 4.585 0.000 0.633) 4.629 4.082 ( -2.737 -0.000 11.529) 11.850 4.316 ( -1.187 -0.000 1.334) 1.785 4.327 ( -1.463 -0.000 2.979) 3.319 4.829 ( -0.447 -0.000 11.755) 11.763 5.069 ( 6.450 0.000 -4.908) 8.105 5.267 ( -9.047 -0.000 -1.349) 9.147 5.396 ( 5.865 0.000 9.399) 11.079 5.581 ( -5.796 -0.000 13.307) 14.515 5.774 ( -8.469 -0.000 7.837) 11.538 5.998 ( -2.051 -0.000 -2.536) 3.262 6.063 ( 1.604 0.000 1.487) 2.187 6.277 ( 3.452 0.000 3.963) 5.256 6.329 ( -3.117 -0.000 -2.149) 3.785 6.765 ( 10.936 0.000 -12.877) 16.894 7.387 ( -1.226 -0.000 -8.683) 8.770 7.413 ( 9.331 0.000 -3.896) 10.112 7.619 ( -14.262 -0.000 -18.448) 23.318 8.228 ( 6.365 0.000 12.750) 14.251 8.928 ( 0.736 0.000 -10.648) 10.673 ======================= Grid point 149 (66/185) ======================= q-point: (-0.22 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -9.668 21.022 -5.681) 23.826 1.883 ( -10.214 0.491 -1.943) 10.409 2.047 ( -0.263 1.615 -1.245) 2.056 2.196 ( -0.729 -0.775 -0.051) 1.066 2.440 ( -3.201 -19.695 -9.813) 22.236 2.605 ( 13.918 -4.703 -7.683) 16.579 2.851 ( 4.457 2.882 0.531) 5.334 3.014 ( -5.390 0.394 -10.496) 11.805 3.373 ( 6.045 1.560 -7.709) 9.920 3.614 ( 6.323 5.854 5.009) 9.967 3.828 ( 6.212 -10.227 1.135) 12.020 4.087 ( -6.113 1.349 14.325) 15.634 4.302 ( -1.709 0.444 0.725) 1.909 4.316 ( -0.786 -1.034 1.847) 2.259 4.847 ( -6.090 1.111 12.498) 13.947 5.070 ( -13.112 0.546 3.559) 13.598 5.098 ( 3.438 5.596 -4.697) 8.074 5.393 ( -0.203 12.671 5.567) 13.841 5.601 ( -2.565 -1.361 3.361) 4.442 5.746 ( 0.846 0.164 3.965) 4.057 5.978 ( -1.044 -6.111 -2.353) 6.631 6.128 ( 0.668 -6.184 1.392) 6.374 6.277 ( -0.694 -0.143 -3.836) 3.901 6.354 ( 2.195 -1.327 3.030) 3.970 6.852 ( 12.423 0.772 -20.354) 23.858 7.206 ( -6.605 3.490 -27.115) 28.126 7.334 ( -3.713 3.858 7.776) 9.441 7.642 ( 0.535 -12.911 5.579) 14.075 8.436 ( 9.293 0.862 12.038) 15.232 8.869 ( 1.940 1.561 -12.872) 13.111 ======================= Grid point 150 (67/185) ======================= q-point: (-0.11 -0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -16.074 13.937 -5.534) 21.983 1.717 ( -10.350 -1.866 0.133) 10.518 1.993 ( -5.320 -1.750 -4.051) 6.912 2.219 ( -3.668 -7.483 1.142) 8.412 2.449 ( -8.542 -17.121 -10.789) 21.966 2.782 ( 8.462 3.374 -2.161) 9.363 2.931 ( 1.763 -0.948 -4.483) 4.910 2.951 ( 7.919 2.041 2.923) 8.685 3.430 ( 7.952 1.566 -8.091) 11.452 3.704 ( 9.267 4.409 -0.199) 10.265 3.947 ( -4.909 1.590 4.619) 6.926 4.063 ( -1.788 -4.658 5.895) 7.723 4.269 ( -1.140 1.354 0.686) 1.898 4.341 ( -0.046 -1.678 3.427) 3.816 4.761 ( -6.023 2.128 3.253) 7.169 4.883 ( -10.923 1.582 6.099) 12.610 5.043 ( -1.107 4.346 -1.796) 4.831 5.293 ( 0.484 12.732 2.317) 12.950 5.589 ( 3.426 6.212 -0.351) 7.103 5.747 ( -1.123 1.303 -0.681) 1.850 6.047 ( 1.009 -8.041 -3.908) 8.997 6.164 ( -2.058 -1.861 -0.507) 2.821 6.295 ( 2.017 -4.576 -2.203) 5.465 6.404 ( 1.338 0.025 1.697) 2.161 6.874 ( -1.695 2.650 -17.111) 17.398 7.005 ( 6.451 -3.521 -16.897) 18.427 7.311 ( -3.211 -2.903 5.748) 7.196 7.792 ( -0.445 -9.490 8.293) 12.611 8.609 ( 5.867 5.737 6.335) 10.366 8.849 ( 6.148 -1.195 -9.301) 11.213 ======================= Grid point 158 (68/185) ======================= q-point: (-0.22 -0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -19.340 -0.000 -8.971) 21.319 1.670 ( -17.801 -0.000 -8.013) 19.521 1.806 ( -4.465 -0.000 -9.164) 10.193 2.101 ( -9.122 -0.000 0.734) 9.152 2.313 ( 2.652 0.000 -0.027) 2.652 2.825 ( 12.015 0.000 -2.622) 12.298 2.919 ( 0.300 0.000 -5.026) 5.035 2.980 ( 6.927 0.000 3.616) 7.814 3.455 ( 9.116 0.000 -9.800) 13.384 3.794 ( 3.179 0.000 7.120) 7.797 3.884 ( 11.089 0.000 -5.562) 12.405 4.029 ( -11.959 -0.000 15.391) 19.491 4.295 ( -0.734 -0.000 1.276) 1.472 4.313 ( 0.434 0.000 2.525) 2.562 4.765 ( -10.805 -0.000 9.011) 14.069 4.891 ( -10.285 -0.000 3.284) 10.797 5.133 ( 0.480 0.000 -4.268) 4.295 5.485 ( 0.072 0.000 3.820) 3.821 5.594 ( 2.094 0.000 1.565) 2.615 5.834 ( 4.276 0.000 0.820) 4.354 5.895 ( -1.636 -0.000 -2.521) 3.005 6.125 ( 1.562 0.000 1.264) 2.010 6.242 ( -0.975 -0.000 -5.362) 5.450 6.398 ( 1.612 0.000 2.851) 3.275 6.911 ( -7.545 -0.000 -26.943) 27.980 6.946 ( 13.410 0.000 -21.545) 25.377 7.298 ( -7.797 -0.000 11.747) 14.099 7.700 ( 3.553 0.000 9.962) 10.577 8.673 ( 9.795 0.000 9.933) 13.950 8.830 ( 2.800 0.000 -15.036) 15.294 ======================= Grid point 159 (69/185) ======================= q-point: (-0.11 -0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -22.241 15.563 -7.055) 28.047 1.392 ( -21.240 -14.322 -8.002) 26.839 1.776 ( -6.348 -10.991 -3.332) 13.122 1.909 ( -15.513 -2.860 1.643) 15.859 2.360 ( 1.869 -0.275 0.133) 1.894 2.930 ( 5.756 3.614 -0.198) 6.799 2.975 ( 5.269 -0.527 -0.388) 5.310 3.113 ( 6.627 0.890 3.568) 7.579 3.550 ( 8.649 2.759 -5.064) 10.396 3.797 ( -7.745 1.711 7.817) 11.137 3.923 ( -4.180 1.127 4.821) 6.479 4.054 ( 8.126 -1.587 -7.885) 11.433 4.304 ( 1.806 1.853 3.802) 4.599 4.356 ( 1.005 -1.687 4.813) 5.198 4.650 ( -6.506 -1.515 2.659) 7.190 4.781 ( -4.641 -1.502 1.950) 5.253 5.089 ( 1.794 6.389 -2.680) 7.157 5.432 ( -0.734 11.649 1.599) 11.781 5.682 ( 3.821 -0.773 3.168) 5.024 5.777 ( -0.015 8.922 -2.671) 9.313 5.950 ( -0.552 -6.962 -4.538) 8.329 6.117 ( -2.973 0.902 -3.959) 5.032 6.246 ( 0.875 -9.428 -1.763) 9.631 6.437 ( 0.994 -0.167 2.001) 2.241 6.685 ( -3.212 -0.970 -18.550) 18.851 7.060 ( 12.514 -2.029 -15.664) 20.151 7.256 ( -6.364 -2.842 11.686) 13.607 7.808 ( 0.995 -1.585 8.967) 9.160 8.753 ( 3.844 6.293 -9.038) 11.665 8.906 ( 7.889 -4.583 0.903) 9.168 ======================= Grid point 168 (70/185) ======================= q-point: (-0.11 -0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -23.296 -0.000 -4.020) 23.640 0.804 ( -22.660 -0.000 1.499) 22.710 1.451 ( -29.119 -0.000 16.760) 33.598 1.788 ( -0.107 -0.000 -3.581) 3.583 2.390 ( 1.358 0.000 -0.109) 1.362 3.001 ( 2.130 0.000 -2.419) 3.223 3.103 ( 7.575 0.000 3.160) 8.207 3.225 ( 4.209 0.000 2.100) 4.704 3.681 ( -11.354 -0.000 9.727) 14.951 3.706 ( 9.861 0.000 -1.182) 9.931 3.853 ( -4.663 -0.000 -2.218) 5.164 4.090 ( 0.893 0.000 -8.012) 8.062 4.356 ( -2.357 -0.000 3.473) 4.197 4.382 ( -0.237 -0.000 5.055) 5.060 4.686 ( 11.182 0.000 0.936) 11.221 4.708 ( -2.612 -0.000 -1.788) 3.166 5.193 ( 6.615 0.000 2.360) 7.023 5.453 ( -3.784 -0.000 -2.041) 4.300 5.736 ( -5.103 -0.000 -4.235) 6.631 5.851 ( 5.959 0.000 3.639) 6.983 5.873 ( 0.665 0.000 -7.184) 7.214 5.989 ( -4.508 -0.000 -5.154) 6.847 6.212 ( 1.532 0.000 2.263) 2.732 6.458 ( 0.469 0.000 1.556) 1.625 6.576 ( 1.018 0.000 -12.802) 12.843 7.171 ( 11.270 0.000 -11.035) 15.773 7.199 ( -7.087 -0.000 15.970) 17.472 7.860 ( -0.610 -0.000 7.172) 7.198 8.760 ( 3.580 0.000 -15.052) 15.472 9.022 ( 5.706 0.000 3.771) 6.840 ======================= Grid point 169 (71/185) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -9.436 -0.000 25.614) 27.297 1.262 ( 5.132 0.000 25.871) 26.375 1.770 ( -1.076 -0.000 21.115) 21.143 2.114 ( 7.380 0.000 27.432) 28.407 2.384 ( 0.324 0.000 0.112) 0.343 2.863 ( 1.021 0.000 -8.534) 8.595 3.044 ( -7.644 -0.000 -4.060) 8.655 3.316 ( -2.638 -0.000 -0.122) 2.641 3.357 ( -12.358 -0.000 1.168) 12.413 3.694 ( -0.962 -0.000 -5.159) 5.248 3.742 ( -3.752 -0.000 -5.883) 6.977 3.992 ( 6.982 0.000 -2.972) 7.588 4.324 ( 0.503 0.000 -0.501) 0.710 4.326 ( -3.327 -0.000 -9.640) 10.198 4.401 ( 0.388 0.000 -0.829) 0.915 4.980 ( -4.507 -0.000 2.235) 5.031 5.146 ( 13.333 0.000 -1.905) 13.468 5.364 ( -3.425 -0.000 -10.969) 11.492 5.502 ( 16.364 0.000 -8.667) 18.518 5.723 ( 2.813 0.000 -1.484) 3.180 6.012 ( 3.392 0.000 8.713) 9.350 6.251 ( -2.208 -0.000 1.143) 2.486 6.274 ( 0.541 0.000 10.864) 10.878 6.453 ( -1.325 -0.000 -1.708) 2.161 6.540 ( -0.017 -0.000 -4.615) 4.615 7.210 ( 2.277 0.000 -10.594) 10.836 7.767 ( 4.856 0.000 7.088) 8.592 7.884 ( -4.146 -0.000 4.729) 6.289 8.916 ( 5.637 0.000 2.585) 6.202 9.129 ( -3.066 -0.000 -0.579) 3.120 ======================= Grid point 170 (72/185) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -1.945 -1.112 25.185) 25.284 1.487 ( 7.334 5.554 21.501) 23.387 1.886 ( 2.837 -0.715 8.588) 9.073 2.314 ( 2.016 8.248 9.568) 12.792 2.564 ( 7.169 -15.684 22.711) 28.516 2.786 ( -1.799 5.998 -7.330) 9.640 2.909 ( -5.373 -2.671 -3.188) 6.795 3.199 ( -4.851 2.701 -3.529) 6.579 3.240 ( -5.225 -1.009 -1.629) 5.565 3.538 ( -1.792 7.943 -4.225) 9.173 3.774 ( -2.374 -12.914 -5.540) 14.251 4.074 ( 4.071 -1.620 -4.489) 6.273 4.250 ( -0.043 -0.424 -5.453) 5.469 4.343 ( 0.747 -1.438 -0.623) 1.736 4.385 ( -0.503 1.436 -1.547) 2.170 4.894 ( -5.632 0.745 2.386) 6.161 5.236 ( -1.889 2.322 -11.699) 12.076 5.369 ( 9.862 -0.230 0.223) 9.867 5.657 ( 9.887 5.938 -7.134) 13.561 5.799 ( 6.481 -3.829 -6.337) 9.840 6.129 ( 2.988 -2.868 7.522) 8.586 6.214 ( -2.082 0.310 1.899) 2.835 6.329 ( -2.936 -0.011 10.928) 11.316 6.417 ( -1.621 -0.787 -0.931) 2.028 6.512 ( -1.369 -1.249 -1.389) 2.316 7.101 ( -3.660 2.760 -13.892) 14.629 7.818 ( 3.292 8.605 7.243) 11.720 7.970 ( 4.794 -6.153 6.077) 9.888 8.930 ( -2.790 3.938 1.721) 5.124 9.002 ( -8.706 3.032 -2.975) 9.687 ======================= Grid point 171 (73/185) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 8.057 0.640 17.827) 19.574 1.660 ( 6.148 4.333 16.178) 17.841 1.977 ( 3.313 -0.089 4.052) 5.234 2.276 ( -0.562 10.000 6.053) 11.703 2.623 ( -2.313 6.857 -4.829) 8.700 2.824 ( -3.078 -2.380 -4.380) 5.858 2.966 ( 5.983 -3.889 9.669) 12.017 3.098 ( 1.475 2.997 -3.678) 4.969 3.165 ( -5.945 -2.777 -2.023) 6.867 3.524 ( 2.196 -7.820 5.696) 9.920 3.814 ( -3.851 -13.330 -6.946) 15.517 4.081 ( 0.725 2.251 -6.358) 6.784 4.269 ( 1.512 -3.147 -0.275) 3.502 4.356 ( -0.341 0.207 0.399) 0.564 4.369 ( 1.217 -1.118 -1.600) 2.301 4.817 ( -4.081 1.273 3.136) 5.302 5.125 ( -0.836 1.201 -10.731) 10.830 5.410 ( -2.841 2.433 -0.701) 3.806 5.679 ( 5.374 5.368 -9.166) 11.904 5.898 ( 5.286 -1.769 -5.535) 7.856 6.150 ( -2.197 0.917 1.479) 2.803 6.246 ( -3.780 1.145 4.504) 5.990 6.326 ( -1.436 -4.509 4.737) 6.696 6.415 ( -1.802 -6.028 -0.448) 6.307 6.533 ( 2.507 -0.101 5.042) 5.632 6.915 ( -4.181 2.343 -14.906) 15.658 7.835 ( 3.794 10.525 7.309) 13.364 8.178 ( 9.466 -2.972 7.858) 12.657 8.727 ( -13.064 5.903 -2.683) 14.584 8.830 ( -4.830 6.167 -2.851) 8.336 ======================= Grid point 172 (74/185) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 6.157 7.967 12.012) 15.674 1.833 ( 6.407 -3.870 6.637) 10.004 2.057 ( 4.771 0.156 1.901) 5.138 2.177 ( -2.786 10.812 7.210) 13.291 2.545 ( 2.595 4.423 -4.405) 6.760 2.759 ( 1.026 2.695 -2.548) 3.848 2.969 ( -0.460 4.696 -11.180) 12.135 3.046 ( -3.182 -2.597 -2.566) 4.843 3.198 ( 3.660 2.523 3.695) 5.780 3.705 ( -0.117 -8.330 2.711) 8.761 3.801 ( -6.953 -7.309 -8.293) 13.060 4.038 ( 1.501 -2.081 0.350) 2.590 4.313 ( -0.565 -3.237 0.483) 3.321 4.379 ( -1.293 -3.846 1.534) 4.337 4.408 ( 3.481 -1.509 -1.403) 4.045 4.804 ( 0.614 -2.418 5.748) 6.266 5.079 ( 0.998 -3.482 -7.210) 8.068 5.282 ( -6.542 3.490 -2.090) 7.704 5.620 ( -1.784 3.175 -5.856) 6.896 5.882 ( -7.635 -0.381 1.397) 7.771 6.134 ( 0.924 -0.445 -2.783) 2.966 6.165 ( -0.240 5.139 -0.777) 5.203 6.317 ( -4.796 -3.231 -1.723) 6.034 6.474 ( -0.454 -5.523 0.744) 5.592 6.654 ( 5.375 -3.596 4.700) 7.994 6.753 ( -2.657 1.060 -14.816) 15.090 7.792 ( 0.444 14.601 5.698) 15.680 8.402 ( 5.115 2.946 -0.041) 5.903 8.476 ( -3.323 0.610 4.739) 5.820 8.659 ( -4.446 7.652 -3.585) 9.548 ======================= Grid point 173 (75/185) ======================= q-point: (-0.56 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.072 12.014 11.187) 16.417 1.846 ( -7.058 1.429 -4.808) 8.659 2.138 ( -0.426 3.165 9.074) 9.619 2.206 ( 8.565 0.375 4.041) 9.478 2.550 ( 5.039 -1.281 -5.991) 7.933 2.809 ( 1.596 5.266 -4.041) 6.827 2.854 ( 6.521 2.091 -1.536) 7.018 3.044 ( 0.410 0.275 -4.732) 4.758 3.121 ( -0.237 12.354 -11.005) 16.546 3.643 ( -2.837 3.594 -1.153) 4.722 3.746 ( -5.662 -13.320 -7.894) 16.486 4.160 ( 1.684 -5.624 7.190) 9.282 4.332 ( -1.189 -1.988 1.841) 2.959 4.384 ( -2.590 -3.911 -0.242) 4.697 4.452 ( 1.901 -1.433 -3.558) 4.281 4.947 ( -0.863 -11.903 7.586) 14.141 5.098 ( -3.026 -0.617 -9.475) 9.965 5.177 ( 1.220 -3.229 5.505) 6.498 5.496 ( -6.964 4.000 3.217) 8.651 5.741 ( -8.146 -1.518 -0.305) 8.292 6.098 ( -1.809 0.512 -3.105) 3.630 6.170 ( 5.494 2.957 -5.253) 8.156 6.238 ( -5.411 -2.243 -4.032) 7.111 6.489 ( -1.230 -0.039 -0.038) 1.231 6.623 ( -1.937 -0.223 -14.237) 14.370 6.800 ( 5.081 -4.497 -0.620) 6.813 7.664 ( -2.073 12.184 5.577) 13.559 8.253 ( -2.741 10.474 -2.784) 11.179 8.516 ( -0.831 2.165 -8.745) 9.048 8.689 ( 9.237 0.283 12.412) 15.475 ======================= Grid point 174 (76/185) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -6.138 16.956 14.550) 23.171 1.687 ( -5.081 -0.422 -4.211) 6.613 2.088 ( -7.227 7.698 5.321) 11.824 2.294 ( 1.305 -1.110 0.652) 1.832 2.590 ( -7.908 11.045 -4.681) 14.368 2.701 ( 5.062 -1.355 -2.963) 6.020 2.857 ( 3.029 6.279 -7.852) 10.501 3.038 ( 9.869 0.755 3.782) 10.596 3.168 ( 13.902 -0.072 -11.194) 17.848 3.624 ( -1.418 -5.808 -2.482) 6.473 3.751 ( -1.251 -9.983 -5.389) 11.413 4.201 ( -8.905 -3.614 6.450) 11.574 4.314 ( -1.226 -0.580 3.089) 3.374 4.443 ( 2.853 -1.448 4.866) 5.823 4.466 ( 1.532 -5.020 -9.983) 11.279 4.920 ( -6.737 0.647 -2.229) 7.126 5.079 ( -2.396 -6.464 -1.645) 7.088 5.216 ( -8.079 -2.860 9.359) 12.690 5.473 ( 2.473 -3.432 5.531) 6.963 5.672 ( -1.833 -3.537 -2.331) 4.616 6.027 ( -2.460 2.494 -5.143) 6.223 6.135 ( -5.660 -2.352 -6.429) 8.883 6.225 ( 5.574 0.212 -1.053) 5.677 6.452 ( -1.713 0.716 -0.349) 1.889 6.533 ( 0.456 -0.096 -11.475) 11.485 6.896 ( 6.661 0.762 -5.910) 8.938 7.590 ( -0.909 6.330 8.128) 10.342 8.092 ( -1.279 11.753 -1.947) 11.982 8.478 ( 2.473 -0.386 -6.756) 7.205 8.887 ( 7.618 1.110 7.815) 10.970 ======================= Grid point 175 (77/185) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -7.590 15.119 17.892) 24.623 1.569 ( -10.625 7.742 1.099) 13.192 1.826 ( -5.330 11.439 -2.177) 12.807 2.250 ( -10.233 9.885 7.941) 16.294 2.358 ( -1.048 1.658 1.459) 2.444 2.826 ( 2.903 -5.710 -2.275) 6.797 2.910 ( 7.787 -3.667 -2.714) 9.025 3.177 ( 4.710 -0.651 2.882) 5.560 3.380 ( 15.173 -0.806 -7.169) 16.801 3.642 ( -0.970 -9.998 -7.802) 12.719 3.846 ( 4.076 -5.684 -3.014) 7.617 4.059 ( -13.600 -2.303 5.719) 14.932 4.353 ( 0.295 -2.024 2.488) 3.221 4.438 ( 1.226 -2.316 -5.621) 6.202 4.533 ( -0.292 -2.737 -2.109) 3.467 4.849 ( 2.441 3.163 0.040) 3.996 4.984 ( -6.348 1.840 -0.064) 6.609 5.239 ( -4.016 -10.146 3.930) 11.599 5.555 ( -2.304 -8.303 -1.305) 8.715 5.718 ( 3.139 -1.171 0.978) 3.490 5.913 ( -2.704 2.586 -4.867) 6.139 6.032 ( -3.845 -0.539 -3.347) 5.126 6.307 ( 3.064 0.839 0.018) 3.177 6.430 ( 0.016 -1.063 -2.324) 2.556 6.507 ( 1.764 0.234 -3.961) 4.342 6.961 ( 10.455 5.657 -7.098) 13.845 7.588 ( -0.553 3.398 9.766) 10.355 7.976 ( -1.885 5.033 0.571) 5.405 8.513 ( 7.019 1.618 -6.758) 9.877 9.011 ( 4.271 0.824 3.981) 5.896 ======================= Grid point 176 (78/185) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -3.923 11.596 22.991) 26.047 1.204 ( -15.651 13.716 10.498) 23.309 1.779 ( 2.957 3.107 2.400) 4.915 1.996 ( -15.943 10.958 21.612) 29.006 2.376 ( 0.486 -0.887 0.999) 1.422 2.869 ( 1.392 -3.701 -6.678) 7.761 3.099 ( 6.590 -4.990 0.902) 8.315 3.257 ( 2.244 -1.804 1.571) 3.280 3.536 ( 1.572 -10.469 -4.747) 11.602 3.745 ( 11.304 0.291 -4.886) 12.318 3.818 ( -12.894 -2.810 1.655) 13.300 3.951 ( -2.528 -1.711 -2.381) 3.871 4.334 ( -3.255 -3.264 -2.085) 5.059 4.478 ( -4.120 -0.124 -2.764) 4.962 4.546 ( 7.009 -0.987 -3.329) 7.822 4.816 ( 1.946 6.678 0.376) 6.966 4.995 ( 5.225 -4.204 -6.037) 9.023 5.274 ( -3.680 -8.320 -1.332) 9.194 5.541 ( -3.562 -6.355 -8.852) 11.464 5.734 ( 0.476 4.630 3.443) 5.789 5.870 ( 0.586 0.484 -3.097) 3.189 6.056 ( 3.079 -4.034 7.607) 9.144 6.297 ( -0.107 3.278 -0.663) 3.346 6.444 ( 1.371 -1.977 -2.463) 3.443 6.516 ( 1.326 1.095 -0.438) 1.775 7.055 ( 9.750 3.743 -4.777) 11.484 7.612 ( 0.040 2.945 10.143) 10.562 7.941 ( -2.031 -1.235 3.961) 4.619 8.596 ( 10.925 4.966 -4.844) 12.941 9.076 ( 1.749 -1.441 1.616) 2.784 ======================= Grid point 177 (79/185) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -5.490 -0.609 25.291) 25.887 1.176 ( -4.204 7.362 23.975) 25.430 1.749 ( -10.656 4.378 22.867) 25.605 1.913 ( 3.046 5.473 19.052) 20.055 2.387 ( 0.184 0.490 0.163) 0.548 2.878 ( 1.346 -2.440 -7.891) 8.369 3.154 ( -2.361 -1.421 -4.031) 4.883 3.316 ( 0.994 -1.458 1.714) 2.459 3.588 ( -15.536 -4.060 2.448) 16.243 3.649 ( -0.970 -9.490 -3.991) 10.340 3.884 ( -2.678 1.415 -3.710) 4.789 3.885 ( 10.331 5.778 -4.218) 12.566 4.317 ( -1.186 -2.798 -1.435) 3.361 4.409 ( -1.668 0.141 -1.392) 2.177 4.483 ( -4.122 5.046 -8.493) 10.705 4.922 ( 6.168 -4.907 -0.704) 7.913 5.054 ( 6.725 4.413 -5.105) 9.527 5.301 ( 3.246 -5.510 -2.729) 6.953 5.487 ( -1.208 -3.684 -15.803) 16.272 5.710 ( 2.352 6.596 2.343) 7.384 5.910 ( 2.522 -1.059 5.484) 6.129 6.187 ( 2.924 -1.123 6.363) 7.092 6.273 ( -0.699 1.005 1.796) 2.174 6.469 ( -0.517 -1.889 -0.889) 2.151 6.540 ( 3.042 0.243 -2.469) 3.926 7.153 ( 6.992 -1.793 -5.237) 8.918 7.660 ( 1.225 0.388 9.300) 9.389 7.940 ( -3.310 0.196 4.585) 5.658 8.742 ( 12.639 2.864 1.181) 13.013 9.127 ( 0.622 -2.822 0.767) 2.990 ======================= Grid point 179 (80/185) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 8.258 0.000 19.753) 21.410 1.729 ( 5.988 0.000 7.748) 9.792 1.975 ( 3.380 0.000 4.289) 5.461 2.497 ( 4.838 0.000 9.929) 11.045 2.636 ( -4.346 -0.000 15.306) 15.912 2.763 ( -0.237 -0.000 -10.836) 10.839 2.873 ( 5.887 0.000 10.641) 12.161 3.119 ( -6.386 -0.000 -1.178) 6.493 3.167 ( 1.731 0.000 -4.822) 5.124 3.521 ( -3.441 -0.000 -7.370) 8.133 3.598 ( -2.536 -0.000 -3.418) 4.256 4.110 ( 3.335 0.000 -3.899) 5.131 4.230 ( 0.788 0.000 -2.954) 3.057 4.340 ( -0.741 -0.000 0.494) 0.890 4.381 ( 0.883 0.000 -2.445) 2.599 4.816 ( -5.137 -0.000 3.515) 6.225 5.147 ( -1.210 -0.000 -12.490) 12.549 5.441 ( -1.308 -0.000 -0.903) 1.589 5.765 ( 1.197 0.000 -6.207) 6.322 5.863 ( 9.000 0.000 -8.709) 12.523 6.188 ( 1.004 0.000 6.083) 6.165 6.188 ( -1.889 -0.000 0.996) 2.135 6.308 ( -5.977 -0.000 7.632) 9.694 6.351 ( -3.165 -0.000 -3.682) 4.856 6.528 ( 2.407 0.000 5.505) 6.009 6.940 ( -4.913 -0.000 -15.817) 16.563 7.951 ( 2.576 0.000 7.718) 8.137 8.139 ( 11.358 0.000 10.431) 15.421 8.784 ( -15.085 -0.000 -5.660) 16.112 8.897 ( -4.198 -0.000 -0.115) 4.200 ======================= Grid point 180 (81/185) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 11.867 1.038 12.822) 17.502 1.798 ( 1.371 -0.157 0.136) 1.387 2.052 ( 4.319 -0.186 1.058) 4.451 2.487 ( 0.475 17.317 10.150) 20.077 2.647 ( 0.508 4.768 -4.840) 6.813 2.741 ( 2.763 -5.022 -1.836) 6.019 3.011 ( -2.779 0.152 0.587) 2.844 3.055 ( -0.698 -0.208 -2.138) 2.258 3.212 ( 7.325 0.279 2.980) 7.913 3.488 ( -0.667 -7.260 1.349) 7.414 3.595 ( -1.962 -9.815 -1.815) 10.173 4.094 ( -0.666 4.197 -4.567) 6.238 4.241 ( -0.503 -3.533 -0.854) 3.670 4.323 ( -1.844 -1.477 0.048) 2.363 4.406 ( 3.856 0.143 -1.896) 4.299 4.777 ( -3.162 -0.889 5.142) 6.102 5.058 ( 0.137 0.397 -11.351) 11.358 5.353 ( -4.642 2.857 -3.486) 6.470 5.676 ( -4.986 1.800 -5.094) 7.352 5.878 ( -5.317 -0.053 -0.734) 5.367 6.137 ( -2.807 1.194 -0.354) 3.071 6.243 ( 1.656 0.711 0.025) 1.803 6.258 ( -3.657 -0.806 -0.610) 3.794 6.306 ( -2.212 -7.293 -0.452) 7.634 6.632 ( 5.633 -0.191 3.963) 6.890 6.779 ( -3.005 0.835 -14.165) 14.504 7.998 ( -0.832 5.716 6.882) 8.985 8.412 ( 12.219 -0.231 10.239) 15.943 8.485 ( -12.455 0.160 -5.597) 13.655 8.796 ( -4.390 4.318 -2.256) 6.558 ======================= Grid point 181 (82/185) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -1.267 2.295 -1.162) 2.868 1.888 ( 1.053 1.878 7.671) 7.968 2.157 ( 7.042 -0.103 -1.711) 7.248 2.407 ( 3.742 17.561 12.438) 21.843 2.548 ( 0.010 0.980 -11.052) 11.095 2.858 ( 3.980 -0.653 -1.953) 4.482 2.926 ( 1.295 4.392 -2.681) 5.306 3.039 ( 4.392 1.848 -2.097) 5.206 3.310 ( 3.812 5.056 -1.421) 6.490 3.494 ( -5.498 -8.863 -6.751) 12.424 3.714 ( -0.689 -3.275 2.310) 4.067 4.016 ( -2.263 -4.043 3.007) 5.524 4.260 ( -1.265 -4.915 -0.006) 5.075 4.318 ( -1.040 -2.519 -1.295) 3.018 4.454 ( 2.406 0.187 -3.306) 4.093 4.790 ( -2.094 -3.971 5.946) 7.450 5.032 ( 2.448 -2.413 -8.574) 9.237 5.229 ( -3.292 4.986 1.095) 6.074 5.543 ( -6.595 0.319 -0.272) 6.608 5.723 ( -11.733 -0.249 2.088) 11.920 6.076 ( -3.205 -1.048 -1.899) 3.870 6.179 ( -5.343 -3.096 -5.774) 8.454 6.255 ( 3.877 3.721 -3.361) 6.338 6.374 ( -1.361 -9.191 0.614) 9.311 6.633 ( -3.808 1.384 -10.398) 11.159 6.755 ( 6.919 -0.454 -2.258) 7.292 7.850 ( -9.328 5.983 -0.501) 11.093 8.361 ( 0.216 1.980 1.047) 2.250 8.622 ( 2.416 5.614 -14.327) 15.576 8.708 ( 5.357 2.272 19.179) 20.042 ======================= Grid point 182 (83/185) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -3.508 -0.658 -3.852) 5.251 1.823 ( -3.544 13.772 9.873) 17.312 2.218 ( 2.420 2.795 2.240) 4.323 2.328 ( -2.907 8.503 2.636) 9.365 2.604 ( 6.764 -0.495 0.356) 6.792 2.760 ( -3.889 2.094 -7.235) 8.477 3.058 ( 5.259 3.873 -6.332) 9.097 3.072 ( 4.090 5.854 0.721) 7.178 3.238 ( 9.851 9.352 -10.283) 17.036 3.448 ( -4.436 -8.737 -6.828) 11.943 3.672 ( 0.240 0.548 -0.377) 0.707 4.078 ( -7.718 -8.251 5.802) 12.701 4.298 ( -1.276 -1.988 1.569) 2.836 4.366 ( 4.834 -5.749 3.097) 8.125 4.433 ( -0.786 -0.909 -6.975) 7.078 4.822 ( -5.324 -7.140 4.269) 9.876 5.036 ( 2.419 0.866 -5.994) 6.521 5.171 ( -6.320 -0.257 6.696) 9.211 5.488 ( -1.399 2.548 7.058) 7.633 5.583 ( -5.324 -5.441 -1.325) 7.727 6.033 ( -2.344 -1.473 -2.718) 3.879 6.070 ( -6.047 -3.354 -7.266) 10.030 6.266 ( 3.420 3.010 -1.779) 4.891 6.424 ( -1.539 -5.678 -1.423) 6.053 6.500 ( -4.177 -1.248 -7.663) 8.816 6.855 ( 6.876 -1.485 -5.999) 9.245 7.683 ( -4.263 1.562 -0.879) 4.625 8.344 ( 2.518 11.459 -5.053) 12.774 8.485 ( -1.808 2.339 -1.801) 3.462 8.918 ( 8.446 1.787 9.664) 12.958 ======================= Grid point 183 (84/185) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -6.478 5.814 1.532) 8.838 1.707 ( -1.898 12.304 9.741) 15.807 2.122 ( -5.472 15.996 4.259) 17.435 2.285 ( -0.544 -1.633 0.620) 1.830 2.570 ( -7.115 11.831 -3.590) 14.265 2.709 ( 3.442 -3.784 -0.487) 5.138 2.894 ( 1.577 3.258 -6.256) 7.227 3.174 ( 3.800 0.639 0.358) 3.870 3.333 ( 1.833 -3.673 -5.341) 6.736 3.514 ( 13.388 -1.736 -5.517) 14.583 3.731 ( 3.085 -5.172 -3.072) 6.761 3.975 ( -14.252 -5.834 4.232) 15.971 4.329 ( 0.793 -0.415 2.165) 2.343 4.381 ( 2.377 -3.176 -11.173) 11.856 4.520 ( 3.022 -0.478 4.785) 5.679 4.823 ( -3.587 -7.106 4.352) 9.072 5.010 ( -6.228 1.445 1.203) 6.506 5.115 ( -0.453 -1.940 2.410) 3.127 5.452 ( -3.941 -2.230 2.155) 5.015 5.668 ( 4.694 -3.693 1.930) 6.277 5.933 ( -4.653 -0.888 -5.191) 7.028 6.022 ( -1.784 -0.620 -1.614) 2.484 6.306 ( 3.287 -0.506 1.187) 3.531 6.400 ( -2.505 -1.437 -2.205) 3.634 6.469 ( -0.016 -4.619 -5.079) 6.866 6.954 ( 6.760 -3.350 -6.024) 9.655 7.659 ( 2.052 0.514 0.063) 2.116 8.153 ( -3.236 12.840 -8.576) 15.777 8.514 ( 3.691 -0.676 2.482) 4.499 9.052 ( 5.247 2.836 3.569) 6.951 ======================= Grid point 184 (85/185) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -4.341 9.898 10.249) 14.895 1.519 ( -11.496 16.762 6.511) 21.342 1.921 ( -0.229 12.818 3.321) 13.244 2.227 ( -8.289 7.500 7.232) 13.314 2.391 ( -0.985 5.038 6.244) 8.084 2.777 ( 0.465 -4.487 -3.139) 5.496 2.987 ( 8.181 -5.544 -1.514) 9.998 3.210 ( 0.319 -2.342 -1.386) 2.740 3.349 ( -1.348 -6.225 -2.152) 6.723 3.721 ( -1.999 -5.185 -0.449) 5.575 3.775 ( 4.982 -0.402 -1.746) 5.295 3.860 ( -1.810 -5.551 -1.769) 6.101 4.294 ( -1.373 -0.745 -5.113) 5.346 4.495 ( 4.753 0.796 -6.412) 8.021 4.522 ( 2.991 -0.349 1.906) 3.564 4.870 ( -8.717 -0.153 1.381) 8.827 4.930 ( 3.398 -7.493 4.720) 9.486 5.164 ( 3.174 0.401 -1.379) 3.484 5.435 ( -2.038 -3.557 -2.036) 4.577 5.766 ( 2.940 -1.402 3.822) 5.022 5.893 ( -0.140 1.029 -0.425) 1.122 6.001 ( 0.933 -0.710 3.599) 3.785 6.350 ( 0.342 1.694 -1.316) 2.173 6.386 ( 0.009 -3.998 -1.748) 4.364 6.494 ( 1.003 -3.471 -2.954) 4.667 7.069 ( 5.063 -3.015 -1.678) 6.127 7.709 ( 6.212 5.031 -2.608) 8.408 7.943 ( -6.188 3.013 -2.399) 7.289 8.630 ( 7.346 -1.686 0.782) 7.577 9.082 ( 0.972 2.357 -1.175) 2.807 ======================= Grid point 185 (86/185) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -10.919 14.132 13.742) 22.534 1.345 ( -4.792 9.371 17.213) 20.176 1.840 ( -5.064 5.263 8.836) 11.464 2.107 ( -0.804 10.166 16.977) 19.804 2.420 ( 2.301 3.507 7.771) 8.831 2.795 ( -0.099 -5.329 -6.889) 8.710 3.109 ( 0.094 -2.779 -4.554) 5.335 3.253 ( 2.157 -4.626 0.485) 5.127 3.384 ( -3.246 -8.469 -0.701) 9.097 3.596 ( -9.920 -1.420 1.751) 10.173 3.840 ( -0.145 -6.261 -2.041) 6.587 3.985 ( 10.435 3.963 -1.439) 11.254 4.266 ( -0.237 -1.672 -3.086) 3.518 4.423 ( -1.770 2.048 -4.059) 4.879 4.593 ( 0.156 4.439 -6.396) 7.787 4.805 ( -0.183 -5.850 -0.224) 5.857 5.112 ( 4.291 -10.231 3.329) 11.583 5.189 ( 5.960 6.018 -2.937) 8.965 5.432 ( 2.795 -1.370 -8.772) 9.308 5.839 ( -1.575 1.614 -2.337) 3.247 5.889 ( 6.271 2.799 10.668) 12.687 6.126 ( 3.956 -4.232 6.714) 8.867 6.318 ( 0.039 2.230 -1.743) 2.831 6.409 ( -0.227 -3.469 -1.189) 3.675 6.530 ( 1.715 -1.982 -1.475) 3.008 7.126 ( 0.162 -1.089 -0.585) 1.247 7.674 ( -0.984 2.424 -3.659) 4.498 7.937 ( 2.329 -1.628 3.857) 4.791 8.781 ( 7.888 -1.154 -0.744) 8.006 9.054 ( -2.201 -2.751 -1.596) 3.868 ======================= Grid point 186 (87/185) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -4.133 -0.653 23.491) 23.861 1.286 ( -5.235 5.553 25.534) 26.650 1.812 ( -0.656 2.490 12.486) 12.748 2.172 ( 3.610 3.177 14.071) 14.870 2.478 ( 4.820 9.171 12.940) 16.577 2.798 ( -0.983 -5.985 -7.797) 9.878 3.040 ( -5.103 -0.353 -5.042) 7.183 3.288 ( -3.829 -2.679 -1.657) 4.958 3.334 ( -8.190 -3.106 0.730) 8.789 3.521 ( -2.010 -4.436 -2.229) 5.356 3.877 ( 1.450 1.889 -1.198) 2.666 4.059 ( 6.354 6.115 -3.461) 9.473 4.278 ( 0.194 -1.978 -2.011) 2.827 4.369 ( -0.511 -0.918 -6.402) 6.488 4.439 ( -3.975 6.574 -3.208) 8.325 4.902 ( 0.346 -6.784 1.169) 6.893 5.203 ( 5.966 -0.212 -3.191) 6.769 5.289 ( 2.120 -2.091 -1.496) 3.333 5.477 ( 12.521 0.064 -12.776) 17.889 5.793 ( 1.305 3.032 -2.732) 4.284 6.032 ( 5.745 2.961 9.969) 11.880 6.218 ( -0.991 -2.165 4.345) 4.955 6.306 ( 0.356 1.742 3.941) 4.323 6.431 ( -0.573 -2.164 -0.537) 2.302 6.557 ( 0.592 0.600 -2.520) 2.657 7.138 ( -0.014 -5.601 -5.391) 7.774 7.673 ( -0.045 -5.623 3.361) 6.551 7.972 ( 1.141 5.077 2.423) 5.740 8.888 ( 2.566 -3.167 0.560) 4.114 9.059 ( -3.228 -6.503 -0.826) 7.307 ======================= Grid point 189 (88/185) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -3.146 -0.000 -4.585) 5.560 1.904 ( 4.204 0.000 11.302) 12.058 2.158 ( 8.904 0.000 -1.450) 9.021 2.564 ( -2.838 -0.000 -14.178) 14.459 2.638 ( 6.436 0.000 -1.728) 6.663 2.845 ( -1.600 -0.000 7.891) 8.052 2.982 ( 3.548 0.000 4.510) 5.738 3.069 ( 2.624 0.000 -7.101) 7.570 3.313 ( 3.825 0.000 0.729) 3.894 3.506 ( 4.274 0.000 7.184) 8.359 3.526 ( -0.168 -0.000 2.321) 2.327 4.035 ( -6.791 -0.000 -3.122) 7.474 4.188 ( -2.075 -0.000 -1.368) 2.485 4.290 ( -0.308 -0.000 -2.097) 2.120 4.454 ( 3.114 0.000 -4.703) 5.640 4.759 ( -2.679 -0.000 5.932) 6.509 5.015 ( 2.264 0.000 -8.667) 8.958 5.300 ( -0.977 -0.000 -1.017) 1.411 5.528 ( -9.958 -0.000 -1.817) 10.122 5.724 ( -12.190 -0.000 2.867) 12.522 6.070 ( -3.973 -0.000 -2.070) 4.480 6.146 ( -5.217 -0.000 -7.366) 9.026 6.247 ( -1.660 -0.000 3.482) 3.858 6.305 ( 3.756 0.000 -1.942) 4.228 6.650 ( -4.303 -0.000 -11.321) 12.111 6.753 ( 7.759 0.000 -1.901) 7.989 7.904 ( -13.067 -0.000 -4.409) 13.791 8.380 ( 1.005 0.000 4.235) 4.353 8.662 ( 10.031 0.000 -7.365) 12.445 8.754 ( -1.572 -0.000 12.556) 12.654 ======================= Grid point 190 (89/185) ======================= q-point: (-0.67 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -3.959 -0.348 -4.139) 5.738 1.964 ( -1.073 2.179 7.795) 8.165 2.263 ( 4.486 2.569 -1.190) 5.305 2.431 ( -3.125 -0.453 -12.483) 12.876 2.708 ( 2.966 8.446 5.545) 10.530 2.785 ( -1.746 0.018 -4.113) 4.469 3.091 ( 9.321 1.734 -5.417) 10.919 3.128 ( 5.013 -0.484 1.844) 5.363 3.366 ( 2.372 -0.027 -0.244) 2.385 3.458 ( 2.040 11.292 -1.409) 11.561 3.689 ( 0.413 -2.952 2.113) 3.653 3.915 ( -6.517 -5.588 4.463) 9.675 4.173 ( -1.669 -7.395 -0.819) 7.625 4.288 ( 1.188 -1.506 -1.105) 2.214 4.430 ( -0.831 0.164 -8.423) 8.466 4.748 ( -3.402 -1.053 4.553) 5.780 5.041 ( 5.124 0.033 -4.245) 6.654 5.249 ( -6.610 7.413 4.451) 10.884 5.420 ( -3.973 -8.725 1.668) 9.731 5.555 ( -7.766 1.418 4.316) 8.998 6.004 ( -3.094 -1.279 -5.890) 6.775 6.018 ( -4.734 -1.205 -4.262) 6.483 6.266 ( -0.915 -4.287 2.293) 4.947 6.335 ( 1.536 0.533 -1.851) 2.464 6.494 ( -6.686 -0.025 -7.938) 10.378 6.858 ( 8.244 0.784 -7.346) 11.070 7.674 ( -7.962 -1.170 -7.812) 11.216 8.451 ( 2.542 1.539 7.243) 7.829 8.586 ( -1.241 4.520 -13.913) 14.681 8.947 ( 7.698 0.934 13.539) 15.603 ======================= Grid point 191 (90/185) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -3.401 -0.059 -1.500) 3.717 1.935 ( -2.004 7.469 6.593) 10.162 2.272 ( 0.166 1.408 0.274) 1.444 2.329 ( -1.237 3.391 -4.252) 5.578 2.637 ( -5.280 -0.137 -2.784) 5.971 2.772 ( 2.665 5.717 1.827) 6.567 3.052 ( -4.782 10.080 -9.793) 14.846 3.200 ( 5.299 0.426 -3.555) 6.396 3.338 ( -0.553 6.819 5.824) 8.985 3.530 ( 14.342 2.068 -2.580) 14.718 3.671 ( 1.413 -0.455 -4.564) 4.799 3.856 ( -11.683 -5.708 1.462) 13.085 4.273 ( 3.301 -7.495 -0.685) 8.218 4.356 ( -1.002 0.941 -6.791) 6.928 4.424 ( 5.675 -8.651 9.059) 13.752 4.709 ( -4.876 -1.469 1.653) 5.354 5.050 ( -12.588 2.611 5.651) 14.044 5.125 ( 7.768 2.254 -1.634) 8.252 5.398 ( -7.229 -5.485 2.041) 9.301 5.606 ( 6.287 -1.364 5.292) 8.330 5.894 ( -4.613 -2.390 -6.057) 7.980 6.000 ( -0.157 -1.205 0.825) 1.469 6.312 ( -0.173 0.863 -0.671) 1.107 6.329 ( -1.371 -7.105 -0.519) 7.255 6.379 ( -2.967 -1.498 -3.034) 4.500 6.930 ( 7.889 1.071 -9.598) 12.470 7.594 ( -0.474 -5.424 -6.674) 8.613 8.398 ( -2.657 10.109 -14.196) 17.629 8.511 ( 1.057 0.332 6.038) 6.139 9.102 ( 4.855 1.952 6.600) 8.423 ======================= Grid point 192 (91/185) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -2.384 2.547 3.022) 4.615 1.822 ( -5.093 13.326 7.557) 16.144 2.214 ( -2.958 8.794 1.105) 9.344 2.272 ( -2.501 4.314 3.348) 6.006 2.487 ( -4.369 2.437 -10.032) 11.211 2.767 ( -2.156 2.884 4.372) 5.664 2.909 ( 4.246 -1.568 -5.228) 6.916 3.227 ( 1.573 1.071 -3.343) 3.847 3.320 ( 0.923 6.417 8.195) 10.449 3.596 ( -4.020 -5.843 -4.474) 8.385 3.697 ( -9.990 -5.539 1.227) 11.488 3.845 ( 15.235 1.705 -1.065) 15.367 4.301 ( 1.015 1.233 -7.673) 7.837 4.439 ( 8.275 -5.028 0.591) 9.701 4.582 ( 0.079 3.849 0.855) 3.943 4.700 ( -1.622 -12.934 6.195) 14.433 4.861 ( -11.332 -0.015 3.643) 11.903 5.228 ( 8.805 3.842 -1.681) 9.752 5.383 ( -1.971 -3.445 3.641) 5.386 5.725 ( 3.404 -1.546 2.114) 4.295 5.872 ( 0.844 -2.562 2.144) 3.446 6.022 ( 1.126 1.363 3.009) 3.490 6.299 ( -1.190 -4.006 -1.019) 4.301 6.345 ( -1.515 -3.914 -3.531) 5.485 6.407 ( 1.481 -3.181 1.987) 4.032 7.006 ( 6.647 -1.473 -5.668) 8.859 7.665 ( 4.957 -8.170 -5.815) 11.186 8.123 ( -6.870 12.689 -12.863) 19.330 8.575 ( 2.387 -3.143 2.323) 4.579 9.142 ( 0.257 2.961 0.083) 2.973 ======================= Grid point 193 (92/185) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -3.317 7.928 7.440) 11.367 1.581 ( -8.272 18.738 9.139) 22.429 2.006 ( -7.783 12.904 3.638) 15.502 2.195 ( -3.174 0.065 1.717) 3.609 2.472 ( 4.006 -0.687 3.284) 5.226 2.719 ( -3.871 -1.837 0.196) 4.290 3.042 ( 4.536 -4.688 -3.126) 7.234 3.211 ( 0.668 -1.852 -4.675) 5.072 3.333 ( 0.477 6.050 11.063) 12.618 3.559 ( -4.578 -2.250 1.246) 5.251 3.655 ( -1.550 -10.278 -1.208) 10.464 4.052 ( 10.156 2.834 2.681) 10.879 4.265 ( 0.903 1.422 -5.907) 6.143 4.489 ( -2.376 4.228 -4.395) 6.545 4.613 ( 7.490 -3.528 -5.185) 9.769 4.721 ( -8.663 -1.813 3.712) 9.597 4.871 ( 1.909 -12.083 3.919) 12.846 5.324 ( 9.831 5.843 -1.970) 11.605 5.429 ( 3.594 0.305 1.396) 3.867 5.790 ( -0.210 -2.843 -0.158) 2.856 5.971 ( 5.415 0.299 10.289) 11.631 6.075 ( 4.555 1.314 5.135) 6.989 6.301 ( -1.461 -3.615 -2.504) 4.634 6.361 ( -0.098 -3.349 -1.715) 3.764 6.464 ( 1.561 -2.984 -0.100) 3.369 7.088 ( 1.238 -2.340 0.130) 2.650 7.799 ( -9.625 7.692 -9.717) 15.691 7.834 ( 9.343 -6.851 -5.319) 12.748 8.683 ( 3.259 -7.408 -0.668) 8.120 9.059 ( -5.065 2.476 -3.575) 6.676 ======================= Grid point 194 (93/185) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -7.618 15.445 12.560) 21.315 1.448 ( -5.544 9.765 19.114) 22.168 1.862 ( -3.105 3.474 8.740) 9.905 2.187 ( 0.010 -1.280 0.269) 1.308 2.604 ( 5.810 -0.713 6.815) 8.984 2.683 ( -2.493 -2.995 -0.367) 3.914 3.026 ( -3.988 -2.421 -6.845) 8.284 3.225 ( -2.215 -2.460 -4.263) 5.397 3.343 ( -0.732 5.087 10.174) 11.398 3.517 ( 0.163 3.460 2.073) 4.037 3.806 ( 5.118 -8.808 1.721) 10.331 4.155 ( 4.483 2.834 -0.343) 5.315 4.242 ( 0.693 -0.555 -1.395) 1.653 4.388 ( -1.553 3.337 -5.070) 6.265 4.574 ( -4.153 5.691 -4.114) 8.158 4.749 ( 1.102 -8.408 -0.742) 8.512 5.035 ( 2.864 -9.860 0.608) 10.286 5.405 ( 7.911 6.789 -3.506) 10.998 5.511 ( 9.006 3.510 -3.949) 10.442 5.784 ( -0.952 -2.879 -2.515) 3.940 6.135 ( 7.595 5.235 11.338) 14.617 6.171 ( 2.147 -1.411 2.298) 3.446 6.315 ( 0.799 -2.043 -0.737) 2.314 6.376 ( -0.277 -2.277 2.260) 3.220 6.531 ( 2.373 -3.238 -0.022) 4.014 7.057 ( -5.789 -2.110 -1.123) 6.263 7.602 ( -3.792 -1.078 -3.724) 5.423 8.010 ( 7.199 -2.577 -3.260) 8.312 8.780 ( -1.464 -8.374 -2.594) 8.888 8.936 ( -5.800 -3.667 -1.904) 7.121 ======================= Grid point 195 (94/185) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -1.050 1.224 20.672) 20.734 1.451 ( 0.712 4.476 24.497) 24.913 1.897 ( 2.255 0.393 6.804) 7.179 2.211 ( -0.151 -3.595 0.198) 3.604 2.637 ( -3.496 -7.763 -6.558) 10.746 2.797 ( 7.925 4.903 15.278) 17.896 2.932 ( -4.525 -1.611 -6.043) 7.720 3.143 ( -4.024 -0.722 -5.219) 6.630 3.293 ( -4.356 3.926 1.680) 6.100 3.519 ( 2.747 6.672 5.054) 8.809 3.924 ( 2.725 0.910 -1.347) 3.173 4.148 ( -0.123 3.288 -6.487) 7.273 4.267 ( 0.821 1.317 0.224) 1.568 4.334 ( 1.187 -0.342 -2.138) 2.469 4.423 ( -2.540 5.835 -2.384) 6.795 4.821 ( -2.317 -7.055 1.158) 7.516 5.148 ( 0.891 -6.112 -3.625) 7.162 5.411 ( 4.200 4.557 -4.885) 7.891 5.589 ( 6.852 -0.405 -8.477) 10.907 5.828 ( 6.293 -0.459 -4.551) 7.780 6.182 ( -1.659 0.516 1.080) 2.046 6.236 ( 2.785 2.464 5.436) 6.587 6.336 ( -0.729 1.695 6.678) 6.928 6.427 ( 1.161 -0.311 4.908) 5.053 6.544 ( -1.975 1.455 -1.407) 2.828 7.006 ( -2.863 -6.241 -8.213) 10.705 7.639 ( 1.960 -8.836 3.608) 9.744 8.077 ( 4.687 4.203 0.911) 6.361 8.786 ( -6.331 -10.101 1.321) 11.994 8.899 ( -5.676 -6.738 -4.057) 9.699 ======================= Grid point 199 (95/185) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -2.928 -0.000 -1.382) 3.237 1.994 ( -0.631 -0.000 4.187) 4.234 2.313 ( -1.352 -0.000 -9.368) 9.465 2.337 ( 2.963 0.000 -0.143) 2.966 2.628 ( -9.521 -0.000 1.900) 9.708 2.833 ( 1.373 0.000 -1.790) 2.256 3.163 ( -1.224 -0.000 -7.535) 7.634 3.193 ( 5.188 0.000 -6.709) 8.481 3.517 ( 12.672 0.000 4.491) 13.444 3.522 ( -2.796 -0.000 6.344) 6.932 3.697 ( -3.158 -0.000 -4.564) 5.550 3.782 ( -6.254 -0.000 3.503) 7.168 4.117 ( 4.984 0.000 -2.041) 5.386 4.339 ( 4.866 0.000 5.237) 7.149 4.370 ( -0.639 -0.000 -5.837) 5.872 4.710 ( -3.116 -0.000 2.033) 3.720 5.096 ( -9.237 -0.000 6.874) 11.514 5.173 ( 2.816 0.000 -3.122) 4.205 5.285 ( -6.205 -0.000 2.682) 6.760 5.604 ( 5.689 0.000 6.497) 8.635 5.865 ( -4.522 -0.000 -6.588) 7.991 5.989 ( 0.175 0.000 1.069) 1.083 6.239 ( -1.195 -0.000 1.878) 2.226 6.343 ( -5.829 -0.000 -4.632) 7.445 6.352 ( 0.927 0.000 -0.314) 0.979 6.952 ( 8.955 0.000 -10.867) 14.082 7.526 ( -2.345 -0.000 -9.257) 9.549 8.506 ( -0.440 -0.000 -16.512) 16.518 8.512 ( -1.667 -0.000 7.186) 7.376 9.121 ( 4.359 0.000 8.308) 9.382 ======================= Grid point 201 (96/185) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.929 0.378 2.610) 2.796 1.991 ( -0.475 3.487 2.264) 4.184 2.261 ( -2.987 1.473 1.102) 3.508 2.362 ( 2.216 3.649 0.909) 4.365 2.511 ( -6.316 -2.751 1.398) 7.029 2.820 ( -0.511 1.629 -0.561) 1.797 2.983 ( -5.447 6.786 -13.088) 15.717 3.196 ( -0.220 -1.778 -9.126) 9.300 3.469 ( -3.795 2.684 3.181) 5.632 3.551 ( -7.826 -2.273 -4.789) 9.452 3.674 ( 1.391 8.607 7.643) 11.595 3.842 ( 11.172 -3.869 5.179) 12.908 4.294 ( 10.461 -6.460 -5.134) 13.323 4.336 ( -0.800 0.626 -0.517) 1.140 4.500 ( 4.753 -4.893 8.025) 10.533 4.664 ( -1.359 2.531 0.262) 2.884 4.894 ( -12.833 3.043 7.490) 15.167 5.255 ( -1.334 -5.021 4.202) 6.681 5.296 ( 8.432 -0.068 -2.669) 8.845 5.730 ( 4.713 1.576 3.657) 6.170 5.815 ( 0.376 -2.774 0.692) 2.883 6.034 ( 3.032 0.211 5.052) 5.896 6.235 ( -2.365 -4.324 -1.574) 5.174 6.253 ( -3.147 -0.814 -1.056) 3.418 6.384 ( 1.956 -0.372 2.971) 3.577 7.026 ( 8.987 2.263 -10.956) 14.350 7.494 ( 1.216 -6.694 -8.880) 11.187 8.344 ( -3.441 8.597 -15.282) 17.868 8.507 ( -3.182 -4.019 1.198) 5.265 9.183 ( -0.141 1.145 2.017) 2.323 ======================= Grid point 202 (97/185) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.310 2.220 5.909) 6.320 1.903 ( -5.026 11.797 6.749) 14.490 2.174 ( -6.050 -1.118 3.168) 6.920 2.330 ( -6.721 16.512 -2.006) 17.940 2.440 ( 4.763 -0.908 -0.952) 4.941 2.719 ( -6.821 2.710 2.678) 7.813 2.933 ( 4.728 -5.814 -4.573) 8.779 3.120 ( -2.476 -6.054 -14.126) 15.567 3.428 ( -4.308 -2.601 2.635) 5.680 3.475 ( -1.594 -3.852 0.441) 4.192 3.665 ( 3.204 10.741 9.347) 14.594 4.075 ( 7.350 -1.576 6.905) 10.207 4.304 ( 0.321 2.009 -3.629) 4.161 4.475 ( 5.515 -6.058 -5.198) 9.702 4.569 ( -1.013 0.987 -1.135) 1.814 4.682 ( -3.074 -4.193 5.749) 7.751 4.762 ( 1.546 4.470 5.818) 7.498 5.347 ( 1.636 -5.458 5.897) 8.200 5.438 ( 11.543 1.836 -2.085) 11.873 5.777 ( 1.581 1.896 0.643) 2.551 5.916 ( 4.235 -3.900 6.444) 8.641 6.138 ( 5.818 2.599 8.396) 10.540 6.222 ( -2.506 -4.555 -2.447) 5.745 6.248 ( -0.544 -4.732 0.819) 4.833 6.445 ( 1.710 -0.326 3.364) 3.788 7.080 ( 5.561 2.246 -5.870) 8.392 7.581 ( 2.629 -13.740 -9.169) 16.727 8.049 ( -6.401 13.224 -14.434) 20.596 8.521 ( -1.920 -9.121 -3.286) 9.883 9.117 ( -4.944 2.774 -3.174) 6.497 ======================= Grid point 203 (98/185) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -2.127 7.821 8.512) 11.754 1.702 ( -5.912 18.131 9.967) 21.518 1.998 ( -8.857 12.419 3.530) 15.657 2.144 ( -1.263 -2.534 -2.098) 3.524 2.530 ( -0.064 -3.441 -1.123) 3.620 2.675 ( 2.539 1.017 7.341) 7.834 2.934 ( -4.866 -5.894 -10.520) 13.003 3.175 ( 4.698 -3.941 -5.193) 8.035 3.384 ( -4.335 -1.764 2.300) 5.215 3.588 ( 3.893 -10.907 3.569) 12.119 3.683 ( 4.096 8.829 8.805) 13.124 4.180 ( 0.068 0.225 3.296) 3.305 4.271 ( 1.157 2.733 0.593) 3.026 4.466 ( -2.223 2.888 -2.140) 4.227 4.594 ( -0.787 -2.605 1.821) 3.274 4.653 ( 1.896 0.570 -4.285) 4.720 4.900 ( 7.505 -2.832 1.869) 8.237 5.459 ( 3.637 -1.647 3.369) 5.224 5.612 ( 12.124 4.790 -0.194) 13.037 5.744 ( -1.370 0.756 -3.575) 3.903 6.086 ( 3.994 -4.623 6.838) 9.170 6.214 ( -0.550 -5.008 -0.445) 5.057 6.262 ( 3.285 -0.860 1.988) 3.935 6.344 ( 6.078 0.965 9.556) 11.366 6.481 ( 1.382 -0.577 1.588) 2.183 7.051 ( -5.053 1.659 -3.029) 6.121 7.595 ( -7.240 -3.696 -11.302) 13.921 7.902 ( 8.024 -3.424 -8.264) 12.017 8.567 ( -3.556 -12.662 -4.480) 13.894 8.948 ( -7.318 3.563 -4.702) 9.399 ======================= Grid point 204 (99/185) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -4.949 16.876 10.652) 20.561 1.599 ( -0.754 9.080 17.526) 19.753 1.911 ( 0.016 1.561 7.364) 7.528 2.145 ( -0.525 -3.309 -3.034) 4.519 2.511 ( -2.656 -4.706 -4.795) 7.224 2.826 ( 6.390 -0.899 6.888) 9.439 2.846 ( -4.144 -4.200 -4.993) 7.730 3.163 ( -1.562 1.311 -8.237) 8.485 3.332 ( -4.804 0.169 0.062) 4.807 3.700 ( 2.189 4.380 6.105) 7.826 3.833 ( 6.404 -9.105 2.656) 11.444 4.146 ( -2.220 1.716 0.690) 2.889 4.303 ( 1.968 2.143 4.155) 5.072 4.395 ( -1.194 3.400 -0.528) 3.642 4.566 ( -0.122 7.304 1.403) 7.439 4.682 ( 2.049 -3.813 -4.788) 6.454 5.043 ( 4.769 -3.592 0.310) 5.979 5.499 ( -0.638 2.636 -2.491) 3.683 5.629 ( 1.899 4.090 -4.860) 6.630 5.817 ( 10.047 0.251 -4.027) 10.827 6.163 ( -0.286 -2.555 0.837) 2.704 6.243 ( -2.454 -1.200 -1.573) 3.152 6.335 ( 1.872 -3.726 3.012) 5.144 6.457 ( 2.899 2.906 9.747) 10.576 6.563 ( 2.765 1.572 4.352) 5.390 6.902 ( -5.339 -2.851 -3.831) 7.163 7.491 ( -2.264 -6.341 -7.067) 9.761 8.075 ( 8.070 -5.577 -4.193) 10.668 8.567 ( -8.761 -11.905 0.131) 14.782 8.802 ( -4.550 -1.205 -5.338) 7.116 ======================= Grid point 205 (100/185) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 3.249 1.036 16.116) 16.473 1.676 ( 5.623 5.360 17.272) 18.938 1.975 ( 2.686 -0.385 5.067) 5.748 2.148 ( -1.911 -4.271 -1.499) 4.914 2.501 ( -0.025 -4.549 -5.109) 6.840 2.776 ( -4.205 -5.478 -5.093) 8.580 2.994 ( 4.656 0.712 5.714) 7.405 3.061 ( -0.814 -0.911 -9.737) 9.813 3.218 ( -5.673 2.146 -1.812) 6.330 3.719 ( 1.201 4.326 4.974) 6.700 3.967 ( 2.557 0.036 -1.429) 2.930 4.066 ( -4.373 2.583 -3.883) 6.394 4.331 ( 1.814 3.205 3.589) 5.143 4.359 ( 0.047 2.029 1.472) 2.507 4.475 ( 0.932 10.180 -2.414) 10.503 4.748 ( 1.507 -3.795 2.783) 4.941 5.119 ( 1.749 -0.344 -2.774) 3.298 5.385 ( -6.628 0.869 -1.087) 6.772 5.622 ( 4.905 0.098 -12.230) 13.177 5.927 ( 5.413 1.313 -3.866) 6.780 6.143 ( -4.786 -0.276 -0.039) 4.794 6.181 ( -4.335 -3.894 2.303) 6.266 6.395 ( -0.138 1.011 2.059) 2.298 6.497 ( -2.620 -1.766 0.677) 3.232 6.574 ( 4.588 5.962 7.507) 10.628 6.870 ( -1.084 -0.905 -10.402) 10.498 7.581 ( 2.312 -14.525 1.573) 14.792 8.222 ( 8.815 -0.010 1.098) 8.883 8.545 ( -9.955 -11.669 4.807) 16.074 8.717 ( -4.770 -3.983 -7.733) 9.920 ======================= Grid point 210 (101/185) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.996 0.000 5.772) 5.858 2.018 ( 1.075 0.000 -1.281) 1.673 2.165 ( -12.680 -0.000 8.568) 15.304 2.443 ( 1.044 0.000 4.180) 4.309 2.487 ( 3.019 0.000 6.295) 6.981 2.805 ( -3.230 -0.000 0.180) 3.235 2.861 ( -1.933 -0.000 -13.172) 13.313 3.037 ( -5.052 -0.000 -17.053) 17.786 3.390 ( -4.162 -0.000 -3.148) 5.218 3.430 ( -1.203 -0.000 0.154) 1.213 3.799 ( -2.664 -0.000 5.454) 6.070 4.022 ( 6.898 0.000 13.349) 15.026 4.327 ( -1.473 -0.000 2.653) 3.034 4.427 ( 13.910 0.000 -12.029) 18.389 4.550 ( 1.667 0.000 1.576) 2.294 4.655 ( -6.346 -0.000 5.755) 8.566 4.868 ( 1.934 0.000 13.037) 13.179 5.234 ( 1.304 0.000 3.780) 3.999 5.461 ( 11.618 0.000 -2.759) 11.941 5.837 ( 2.996 0.000 3.067) 4.287 5.843 ( 3.641 0.000 3.800) 5.263 6.152 ( -3.109 -0.000 -3.121) 4.405 6.162 ( 5.009 0.000 5.922) 7.757 6.221 ( 0.459 0.000 7.708) 7.721 6.439 ( 1.882 0.000 4.091) 4.503 7.138 ( 9.935 0.000 -10.459) 14.425 7.402 ( -1.230 -0.000 -10.032) 10.107 8.258 ( -1.515 -0.000 -22.760) 22.810 8.357 ( -9.583 -0.000 2.857) 10.000 9.147 ( -4.311 -0.000 -2.960) 5.230 ======================= Grid point 212 (102/185) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.743 1.419 7.240) 7.415 1.959 ( -5.449 8.224 8.805) 13.224 2.071 ( -3.392 -3.952 1.840) 5.524 2.370 ( -4.868 18.257 -6.117) 19.860 2.498 ( -4.720 1.061 5.117) 7.042 2.685 ( -2.511 -3.892 -0.789) 4.698 2.848 ( 2.109 -0.364 -6.584) 6.923 3.039 ( 7.587 -8.246 -4.482) 12.068 3.329 ( -2.544 -2.598 -3.529) 5.067 3.450 ( 0.140 -3.214 2.347) 3.982 3.733 ( -5.611 -1.643 0.114) 5.847 4.168 ( 0.940 -0.781 10.672) 10.742 4.319 ( 0.117 1.611 2.531) 3.002 4.511 ( -2.913 2.902 -0.492) 4.141 4.591 ( 9.308 -0.857 -8.838) 12.864 4.654 ( 2.355 -0.597 6.507) 6.945 4.978 ( 7.232 9.605 10.050) 15.670 5.347 ( 2.424 -8.440 5.524) 10.374 5.656 ( 13.538 0.707 -2.314) 13.753 5.832 ( -0.265 6.223 0.586) 6.256 5.979 ( 4.155 -6.165 5.363) 9.166 6.103 ( -2.564 -3.869 -2.711) 5.375 6.200 ( 0.029 -2.325 2.697) 3.561 6.416 ( 9.611 3.098 16.442) 19.295 6.482 ( 0.547 -0.145 3.521) 3.566 7.146 ( -0.082 8.506 -8.881) 12.297 7.382 ( -0.817 -14.085 -12.505) 18.853 7.998 ( -3.161 9.524 -18.076) 20.675 8.312 ( -5.841 -12.068 -1.797) 13.527 9.015 ( -6.088 2.242 -6.715) 9.337 ======================= Grid point 213 (103/185) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 0.993 5.809 9.488) 11.170 1.851 ( -2.272 15.784 6.719) 17.305 2.009 ( -6.692 11.403 3.013) 13.561 2.089 ( -0.704 -1.108 -3.897) 4.112 2.445 ( -4.158 -2.525 2.213) 5.344 2.711 ( -1.219 -7.596 -9.658) 12.347 2.880 ( 4.811 3.640 5.831) 8.390 3.158 ( 0.499 -2.580 -7.689) 8.126 3.310 ( -1.986 -2.508 -1.883) 3.712 3.547 ( 0.519 -11.422 2.653) 11.738 3.699 ( -0.929 -6.412 -0.494) 6.498 4.208 ( -1.962 1.238 7.774) 8.113 4.338 ( 1.704 1.510 2.785) 3.597 4.426 ( -3.859 1.073 1.502) 4.278 4.684 ( 8.304 4.323 -4.114) 10.226 4.734 ( 5.094 5.295 4.612) 8.675 5.056 ( 6.872 6.976 3.805) 10.506 5.477 ( -0.156 -4.935 4.165) 6.460 5.734 ( -1.353 6.407 -2.539) 7.023 5.846 ( 11.307 1.991 -2.948) 11.854 6.095 ( -1.475 -3.811 0.359) 4.102 6.150 ( 2.248 -8.208 2.824) 8.966 6.263 ( 1.631 -3.330 2.942) 4.734 6.463 ( -2.801 0.079 2.934) 4.058 6.626 ( 2.712 2.635 10.953) 11.587 6.940 ( -2.641 6.696 -7.001) 10.041 7.371 ( -3.808 -6.630 -15.949) 17.687 7.912 ( 4.491 -8.217 -10.630) 14.167 8.340 ( -4.906 -10.105 3.736) 11.838 8.843 ( -4.819 3.455 -9.007) 10.783 ======================= Grid point 214 (104/185) ======================= q-point: (-0.22 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -3.478 17.728 6.555) 19.218 1.801 ( 6.421 5.752 10.329) 13.454 1.972 ( 0.705 0.921 6.583) 6.685 2.082 ( -1.273 -2.601 -2.251) 3.668 2.443 ( -0.051 -2.649 0.211) 2.658 2.680 ( -1.212 -3.122 -7.808) 8.496 2.970 ( 0.645 -4.956 2.831) 5.744 3.069 ( -2.794 1.887 -10.827) 11.340 3.246 ( -4.019 0.458 -4.352) 5.942 3.612 ( -3.933 -9.608 -0.878) 10.419 3.856 ( 5.700 -9.281 1.030) 10.940 4.179 ( -2.121 5.507 5.334) 7.954 4.369 ( 0.668 -0.522 2.393) 2.539 4.385 ( -1.549 1.144 2.526) 3.176 4.705 ( 2.719 8.540 -6.725) 11.205 4.800 ( 8.810 10.718 11.637) 18.108 5.119 ( 4.520 2.569 2.054) 5.590 5.429 ( -7.721 2.319 0.217) 8.064 5.671 ( 2.445 4.071 -8.554) 9.784 5.953 ( 5.371 1.429 -3.259) 6.443 6.085 ( -8.191 -3.958 2.187) 9.356 6.164 ( -0.925 0.361 -5.858) 5.942 6.345 ( 1.842 -4.518 4.351) 6.537 6.454 ( -4.789 -3.103 1.620) 5.932 6.579 ( -1.823 -4.997 -0.959) 5.405 6.960 ( 5.917 9.615 0.621) 11.307 7.308 ( -0.271 -12.228 -10.170) 15.907 8.071 ( 3.754 -15.383 -6.063) 16.955 8.386 ( -2.973 -3.685 12.094) 12.988 8.695 ( -2.722 1.519 -10.938) 11.374 ======================= Grid point 215 (105/185) ======================= q-point: (-0.11 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -1.668 -0.187 11.263) 11.388 1.934 ( 4.874 5.436 2.853) 7.839 2.016 ( 2.980 -2.099 3.363) 4.959 2.091 ( 0.795 -1.109 4.490) 4.693 2.492 ( 3.554 -1.747 -1.731) 4.322 2.683 ( 2.650 -2.991 -1.543) 4.284 2.915 ( -3.249 -1.117 -13.733) 14.156 3.045 ( -2.001 -8.302 -1.113) 8.612 3.144 ( -2.469 0.832 -7.143) 7.603 3.633 ( -2.776 -7.071 -0.537) 7.615 3.961 ( -1.066 2.322 -3.243) 4.128 4.119 ( 1.572 5.506 4.026) 7.000 4.362 ( -1.400 1.801 2.209) 3.175 4.399 ( 0.224 -0.898 2.333) 2.510 4.560 ( -1.307 11.962 -5.918) 13.409 4.926 ( 8.336 10.117 11.625) 17.521 5.167 ( 2.919 3.632 -0.738) 4.718 5.251 ( -9.354 1.901 0.506) 9.559 5.583 ( -2.846 0.110 -10.132) 10.525 5.887 ( -9.707 -0.142 3.176) 10.214 6.058 ( 2.410 -4.247 -3.629) 6.084 6.156 ( 1.426 0.558 -4.323) 4.586 6.355 ( -5.244 0.163 -2.439) 5.785 6.453 ( 0.717 -5.163 3.090) 6.059 6.657 ( 3.371 -4.609 -5.300) 7.791 6.856 ( -1.107 8.605 -7.599) 11.533 7.480 ( 3.029 -14.841 3.968) 15.658 8.210 ( -2.657 -15.269 -3.654) 15.923 8.485 ( 5.100 1.209 13.380) 14.370 8.586 ( -1.997 -0.222 -10.116) 10.314 ======================= Grid point 221 (106/185) ======================= q-point: ( 0.56 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.343 0.000 8.071) 8.404 1.998 ( -2.455 -0.000 13.050) 13.279 2.027 ( 1.260 0.000 -4.910) 5.069 2.364 ( -11.008 -0.000 -9.945) 14.835 2.417 ( -5.223 -0.000 4.879) 7.147 2.512 ( -0.053 -0.000 -5.863) 5.864 2.933 ( -0.603 -0.000 -1.093) 1.248 3.106 ( 7.427 0.000 -2.272) 7.767 3.263 ( -0.297 -0.000 -2.785) 2.801 3.434 ( -0.744 -0.000 2.095) 2.223 3.624 ( -2.786 -0.000 -0.154) 2.790 4.207 ( -1.637 -0.000 7.741) 7.912 4.358 ( 1.353 0.000 2.569) 2.903 4.439 ( -5.218 -0.000 1.527) 5.437 4.729 ( 11.213 0.000 -8.427) 14.027 4.773 ( 6.165 0.000 6.101) 8.674 5.252 ( 7.346 0.000 14.445) 16.205 5.339 ( 1.156 0.000 1.463) 1.864 5.846 ( -3.741 -0.000 -0.668) 3.800 5.858 ( 11.361 0.000 -3.057) 11.765 6.009 ( 2.598 0.000 2.788) 3.811 6.057 ( -0.679 -0.000 2.045) 2.154 6.225 ( 1.598 0.000 5.258) 5.495 6.472 ( -3.283 -0.000 1.927) 3.807 6.647 ( -1.333 -0.000 9.848) 9.937 7.066 ( -0.168 -0.000 -11.083) 11.085 7.260 ( 1.641 0.000 -13.150) 13.252 7.827 ( -5.178 -0.000 -21.291) 21.911 8.230 ( 0.058 0.000 9.863) 9.863 8.883 ( -4.711 -0.000 -10.777) 11.762 ======================= Grid point 223 (107/185) ======================= q-point: (-0.33 0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 8.136 1.712 6.790) 10.735 1.961 ( -4.674 11.213 -5.321) 13.263 2.045 ( -1.856 7.634 5.442) 9.557 2.073 ( 0.074 5.396 -0.263) 5.403 2.369 ( -4.665 -3.498 5.289) 7.872 2.571 ( -0.080 -13.322 -7.028) 15.062 2.838 ( -6.655 -3.128 -6.514) 9.824 3.110 ( -2.635 1.571 -8.474) 9.012 3.250 ( -0.805 0.501 -3.884) 3.998 3.500 ( 3.215 -1.811 4.938) 6.165 3.674 ( 3.892 -6.971 2.276) 8.301 4.231 ( -0.607 0.400 7.201) 7.237 4.370 ( -1.394 1.163 1.074) 2.110 4.394 ( -1.150 -0.425 3.031) 3.270 4.833 ( 8.285 4.363 -5.981) 11.111 4.922 ( 7.111 0.981 8.221) 10.914 5.280 ( 2.101 9.712 3.705) 10.605 5.449 ( -0.167 -0.303 6.157) 6.166 5.747 ( -2.512 3.070 -1.911) 4.403 5.974 ( 2.524 0.048 -1.317) 2.848 6.032 ( -2.187 0.114 1.619) 2.723 6.119 ( -0.129 -5.873 1.778) 6.137 6.300 ( 2.273 -0.530 3.027) 3.822 6.381 ( -6.942 -0.904 -0.448) 7.015 6.475 ( -8.505 -4.653 -11.074) 14.718 7.121 ( -4.966 -1.521 -24.343) 24.891 7.188 ( 13.288 6.480 6.300) 16.071 7.758 ( -1.235 -12.830 -4.409) 13.623 8.344 ( 3.341 -1.044 13.558) 14.003 8.736 ( -2.608 1.590 -14.310) 14.633 ======================= Grid point 224 (108/185) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -8.279 16.588 1.253) 18.581 1.959 ( -4.054 -0.554 -4.295) 5.932 2.039 ( 10.451 -0.418 2.115) 10.671 2.113 ( 2.728 5.974 9.726) 11.736 2.411 ( 1.127 -6.515 3.064) 7.287 2.665 ( 0.391 -14.100 -7.202) 15.837 2.742 ( -3.247 -3.163 -5.503) 7.130 2.943 ( -6.698 0.863 -11.708) 13.516 3.190 ( -0.405 2.424 -6.763) 7.196 3.575 ( 2.178 1.257 4.607) 5.248 3.858 ( 5.188 -9.460 0.352) 10.795 4.243 ( -0.605 4.910 6.948) 8.530 4.364 ( 0.072 -1.711 0.897) 1.933 4.387 ( -2.448 0.663 3.967) 4.708 4.812 ( 2.113 12.359 -6.383) 14.069 5.069 ( 4.804 2.563 8.810) 10.357 5.251 ( -0.417 1.655 4.088) 4.430 5.359 ( -4.165 11.733 3.968) 13.068 5.638 ( -5.862 4.551 -10.133) 12.560 5.878 ( -8.700 -0.554 3.730) 9.482 6.010 ( -0.113 -0.665 -1.480) 1.626 6.146 ( 4.218 -1.469 -8.490) 9.593 6.294 ( -6.953 -6.130 -0.048) 9.269 6.369 ( 1.947 -2.015 1.826) 3.344 6.511 ( 4.716 -10.159 -4.952) 12.246 6.904 ( -5.248 -3.789 -23.809) 24.674 7.364 ( 8.188 4.650 9.098) 13.093 7.888 ( -1.538 -16.282 1.562) 16.429 8.507 ( 5.704 0.844 14.854) 15.934 8.604 ( -0.400 1.351 -15.859) 15.922 ======================= Grid point 225 (109/185) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -8.264 -0.018 8.700) 11.999 1.829 ( -7.329 -0.506 -5.781) 9.348 2.111 ( -3.794 -0.698 7.256) 8.218 2.230 ( 7.488 1.391 2.050) 7.887 2.565 ( 9.988 -1.629 0.270) 10.124 2.678 ( -11.370 -17.369 -10.289) 23.170 2.787 ( 4.009 -3.625 -8.838) 10.360 2.844 ( 7.241 0.988 0.990) 7.375 3.125 ( 2.692 3.041 -9.696) 10.512 3.615 ( 1.781 1.161 2.625) 3.378 3.942 ( -1.543 2.651 -4.455) 5.409 4.224 ( 0.895 3.931 6.896) 7.988 4.348 ( -3.806 0.017 3.214) 4.982 4.401 ( 0.764 -0.852 2.866) 3.086 4.615 ( -1.959 14.059 -8.052) 16.319 5.062 ( -7.008 -1.624 -3.956) 8.209 5.215 ( -1.114 13.837 4.200) 14.503 5.273 ( -3.882 -0.304 10.432) 11.135 5.458 ( -1.092 4.393 -2.009) 4.953 5.778 ( -4.990 2.012 -0.934) 5.461 6.030 ( 1.061 -4.203 -3.874) 5.814 6.161 ( 2.033 -0.122 -4.563) 4.997 6.254 ( -2.287 -1.236 -3.915) 4.699 6.436 ( 0.392 -3.380 2.407) 4.168 6.598 ( 1.752 -2.801 -14.600) 14.969 6.805 ( 1.504 -7.981 -10.063) 12.931 7.486 ( 1.587 -2.049 10.192) 10.516 8.007 ( -2.540 -12.936 1.696) 13.291 8.513 ( 1.486 0.574 -14.100) 14.190 8.694 ( 7.644 0.789 12.529) 14.698 ======================= Grid point 232 (110/185) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -5.147 -0.000 -5.599) 7.606 1.989 ( 2.720 0.000 2.257) 3.535 2.051 ( -5.526 -0.000 -6.058) 8.200 2.210 ( 7.010 0.000 4.158) 8.150 2.294 ( -4.962 -0.000 5.979) 7.769 2.334 ( -3.728 -0.000 -4.038) 5.496 2.789 ( 4.071 0.000 -2.069) 4.567 2.956 ( -6.494 -0.000 -11.722) 13.401 3.217 ( -0.162 -0.000 -6.961) 6.963 3.651 ( 7.693 0.000 6.562) 10.111 3.689 ( 2.386 0.000 0.181) 2.393 4.287 ( 1.637 0.000 6.764) 6.960 4.350 ( -1.627 -0.000 1.229) 2.039 4.393 ( -2.679 -0.000 5.199) 5.849 4.959 ( 7.346 0.000 -5.963) 9.462 5.086 ( 3.659 0.000 12.286) 12.820 5.242 ( -7.593 -0.000 -2.042) 7.863 5.547 ( -0.711 -0.000 3.558) 3.628 5.681 ( -4.115 -0.000 -1.814) 4.497 5.865 ( -10.414 -0.000 2.409) 10.689 6.050 ( -5.743 -0.000 6.586) 8.738 6.076 ( 2.537 0.000 -2.093) 3.289 6.253 ( -4.511 -0.000 -5.627) 7.212 6.318 ( 8.034 0.000 -18.220) 19.913 6.377 ( 2.654 0.000 3.104) 4.084 6.850 ( -5.161 -0.000 -29.049) 29.504 7.502 ( 11.958 0.000 6.760) 13.737 7.652 ( -3.784 -0.000 7.343) 8.261 8.515 ( 6.187 0.000 15.334) 16.535 8.620 ( -0.377 -0.000 -18.038) 18.042 ======================= Grid point 233 (111/185) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -13.061 17.273 -1.696) 21.722 1.823 ( -7.168 -0.083 -4.674) 8.557 2.003 ( -12.176 -14.574 -3.874) 19.382 2.253 ( 0.611 1.036 4.754) 4.904 2.317 ( -2.615 -9.798 -0.367) 10.148 2.526 ( 16.110 -1.860 0.320) 16.220 2.822 ( -0.207 1.659 -7.699) 7.879 2.888 ( 8.636 2.547 2.239) 9.277 3.172 ( 2.154 1.417 -9.839) 10.172 3.684 ( 3.762 5.608 0.922) 6.816 3.858 ( 4.693 -7.744 1.298) 9.148 4.315 ( -1.162 3.488 4.340) 5.688 4.341 ( -3.455 -0.420 2.343) 4.196 4.382 ( -0.894 -1.054 8.375) 8.488 4.925 ( -0.869 14.661 -6.374) 16.011 5.055 ( -8.307 0.683 -3.305) 8.966 5.159 ( -9.408 -7.820 5.255) 13.315 5.464 ( -0.534 9.366 2.442) 9.694 5.593 ( 0.511 4.546 -1.472) 4.806 5.801 ( -2.696 0.050 0.526) 2.748 5.972 ( -3.337 -0.862 1.748) 3.864 6.157 ( 1.455 -7.090 0.734) 7.275 6.171 ( 1.049 2.086 -6.307) 6.725 6.406 ( 3.747 -0.551 -0.709) 3.854 6.481 ( 8.393 -8.720 -9.354) 15.296 6.621 ( -4.534 -4.263 -25.031) 25.793 7.571 ( -0.334 7.830 11.079) 13.571 7.776 ( 2.084 -10.352 5.800) 12.047 8.520 ( 2.028 0.116 -18.865) 18.974 8.711 ( 6.663 0.633 13.978) 15.498 ======================= Grid point 234 (112/185) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -14.283 0.755 9.395) 17.113 1.687 ( -7.432 -1.054 -2.892) 8.045 1.889 ( -13.203 -14.353 -5.330) 20.217 2.272 ( -5.766 -5.776 5.704) 9.957 2.350 ( -1.228 -3.935 -0.122) 4.123 2.773 ( 10.078 2.144 0.848) 10.338 2.828 ( 7.067 2.081 -3.992) 8.379 3.047 ( 8.989 1.413 4.380) 10.099 3.186 ( 11.343 1.204 -12.734) 17.096 3.717 ( 5.253 5.030 0.558) 7.294 3.908 ( -1.830 2.436 -5.232) 6.055 4.231 ( -9.094 0.901 6.040) 10.954 4.329 ( 0.303 0.800 3.962) 4.053 4.440 ( 0.386 -0.534 6.768) 6.800 4.674 ( -2.338 14.180 -9.723) 17.351 4.883 ( -7.685 -1.723 -4.779) 9.212 5.075 ( -8.358 -4.436 -0.189) 9.464 5.376 ( -2.325 11.271 6.168) 13.057 5.609 ( 5.514 7.160 2.165) 9.293 5.724 ( -2.946 2.425 -1.898) 4.262 5.959 ( -2.055 -3.660 -4.236) 5.963 6.130 ( -3.327 -1.755 -3.278) 4.989 6.250 ( 3.800 -0.149 -2.388) 4.490 6.430 ( 0.727 -1.254 -2.809) 3.161 6.500 ( 0.713 -3.001 -9.534) 10.021 6.719 ( 10.879 -13.900 -9.975) 20.275 7.555 ( -3.450 2.764 13.330) 14.044 7.912 ( 0.836 -6.855 3.420) 7.706 8.472 ( 4.388 -0.992 -15.558) 16.196 8.883 ( 5.877 0.511 9.790) 11.430 ======================= Grid point 242 (113/185) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -20.705 -0.000 -3.488) 20.997 1.518 ( -19.214 -0.000 0.325) 19.217 1.729 ( -1.270 -0.000 -3.733) 3.943 2.208 ( -8.920 -0.000 9.268) 12.863 2.334 ( 2.695 0.000 1.577) 3.123 2.787 ( 12.746 0.000 -0.974) 12.783 2.862 ( 6.479 0.000 -0.372) 6.490 3.067 ( 8.129 0.000 3.815) 8.980 3.200 ( 10.235 0.000 -12.942) 16.500 3.802 ( 7.291 0.000 -2.928) 7.857 3.881 ( 0.924 0.000 0.731) 1.178 4.245 ( -10.382 -0.000 6.283) 12.136 4.338 ( 0.579 0.000 2.419) 2.487 4.434 ( 0.477 0.000 8.945) 8.958 4.853 ( -14.708 -0.000 -1.735) 14.810 4.868 ( -9.244 -0.000 -5.978) 11.009 5.027 ( 2.603 0.000 -7.886) 8.305 5.541 ( -1.012 -0.000 1.151) 1.533 5.630 ( 3.687 0.000 2.391) 4.394 5.793 ( 0.763 0.000 -4.405) 4.471 5.920 ( -4.325 -0.000 2.684) 5.090 6.111 ( -4.014 -0.000 -6.051) 7.261 6.170 ( 2.474 0.000 3.005) 3.892 6.429 ( -0.202 -0.000 -16.105) 16.106 6.462 ( 0.791 0.000 3.319) 3.412 6.569 ( 16.217 0.000 -13.259) 20.947 7.603 ( -7.255 -0.000 14.606) 16.309 7.836 ( 5.011 0.000 3.912) 6.357 8.458 ( 4.288 0.000 -18.834) 19.316 8.891 ( 5.317 0.000 10.892) 12.120 ======================= Grid point 243 (114/185) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -14.346 0.595 15.074) 20.818 1.321 ( -19.157 -13.894 4.109) 24.019 1.720 ( 1.238 -1.485 -2.196) 2.926 2.092 ( -14.997 -4.158 14.172) 21.049 2.370 ( 1.101 0.734 0.898) 1.599 2.891 ( 3.554 1.472 -4.396) 5.842 2.994 ( 8.856 3.106 2.722) 9.772 3.192 ( 4.681 0.582 3.879) 6.107 3.388 ( 18.427 0.207 -9.813) 20.878 3.812 ( -2.740 5.707 -4.203) 7.599 3.914 ( 5.552 0.841 -4.183) 7.002 4.074 ( -13.991 0.085 6.753) 15.535 4.393 ( 2.871 1.283 3.965) 5.061 4.471 ( -0.768 1.595 4.814) 5.129 4.614 ( -6.838 3.436 -6.672) 10.153 4.739 ( -3.432 -6.362 -4.549) 8.541 5.021 ( 4.078 4.706 -6.628) 9.094 5.437 ( -4.189 8.215 -1.510) 9.345 5.714 ( 0.975 -0.981 -0.894) 1.646 5.720 ( -2.578 6.325 -6.516) 9.439 5.848 ( -1.153 -3.848 -3.941) 5.627 6.047 ( -2.081 1.474 2.860) 3.832 6.256 ( 1.043 -4.649 1.136) 4.898 6.410 ( 3.886 -2.222 -5.530) 7.115 6.488 ( 0.119 -0.711 2.028) 2.152 6.811 ( 16.183 -5.027 -7.917) 18.704 7.571 ( -6.185 0.112 15.967) 17.124 7.926 ( 1.835 -0.722 3.553) 4.064 8.459 ( 7.113 -2.529 -14.258) 16.134 9.015 ( 3.644 0.578 6.417) 7.402 ======================= Grid point 252 (115/185) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -7.463 -0.000 24.972) 26.063 1.058 ( -12.103 -0.000 20.106) 23.468 1.753 ( 2.868 0.000 2.063) 3.533 1.883 ( -19.130 -0.000 23.555) 30.345 2.387 ( 0.154 0.000 0.111) 0.190 2.906 ( 1.959 0.000 -7.004) 7.273 3.153 ( 4.906 0.000 1.556) 5.147 3.276 ( 2.845 0.000 2.836) 4.017 3.641 ( 16.229 0.000 -5.824) 17.242 3.757 ( -2.091 -0.000 -4.823) 5.257 3.854 ( -16.274 -0.000 6.178) 17.407 3.947 ( -0.200 -0.000 -5.579) 5.583 4.392 ( -4.686 -0.000 -0.501) 4.713 4.463 ( -4.139 -0.000 2.121) 4.650 4.576 ( -3.247 -0.000 -9.852) 10.374 4.706 ( 14.508 0.000 1.058) 14.546 5.071 ( 3.159 0.000 -14.167) 14.515 5.378 ( -4.088 -0.000 -5.283) 6.680 5.629 ( -2.058 -0.000 1.290) 2.429 5.652 ( -3.212 -0.000 -12.746) 13.144 5.863 ( 2.566 0.000 1.237) 2.849 6.106 ( 2.240 0.000 6.095) 6.494 6.261 ( 0.470 0.000 2.530) 2.573 6.465 ( 5.548 0.000 -0.232) 5.552 6.489 ( -0.527 -0.000 0.942) 1.080 7.006 ( 13.752 0.000 -5.582) 14.842 7.580 ( -3.729 -0.000 17.938) 18.322 7.963 ( -0.834 -0.000 3.913) 4.001 8.522 ( 10.788 0.000 -6.642) 12.669 9.098 ( 2.513 0.000 3.223) 4.087 ======================= Grid point 253 (116/185) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -1.758 -0.000 14.411) 14.518 1.656 ( 2.039 0.000 11.379) 11.560 2.047 ( -2.707 -0.000 13.769) 14.032 2.460 ( 1.266 0.000 8.298) 8.394 2.656 ( 1.691 0.000 -11.366) 11.491 2.770 ( 5.244 0.000 27.897) 28.386 2.956 ( -3.209 -0.000 -5.661) 6.507 3.279 ( -3.890 -0.000 -3.607) 5.305 3.436 ( -16.417 -0.000 7.735) 18.148 3.578 ( -4.348 -0.000 -4.289) 6.107 3.629 ( -1.342 -0.000 -5.549) 5.709 3.904 ( 8.281 0.000 -5.812) 10.117 4.207 ( -2.632 -0.000 -0.303) 2.649 4.304 ( 1.915 0.000 -1.065) 2.192 4.383 ( -1.022 -0.000 -1.165) 1.550 4.896 ( 3.219 0.000 -23.746) 23.963 5.087 ( -3.758 -0.000 3.165) 4.913 5.149 ( 14.712 0.000 1.424) 14.781 5.485 ( 8.501 0.000 1.330) 8.605 5.646 ( -1.568 -0.000 -5.565) 5.781 6.174 ( 2.721 0.000 6.830) 7.352 6.275 ( -2.468 -0.000 1.058) 2.686 6.406 ( -2.199 -0.000 -2.567) 3.380 6.426 ( 3.424 0.000 -2.051) 3.991 6.527 ( 2.368 0.000 9.414) 9.707 6.981 ( -2.011 -0.000 -11.498) 11.673 7.899 ( 3.091 0.000 5.417) 6.237 7.962 ( -2.562 -0.000 2.454) 3.548 8.977 ( 5.097 0.000 3.304) 6.074 9.101 ( -4.421 -0.000 -2.188) 4.933 ======================= Grid point 254 (117/185) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.841 2.048 14.549) 14.717 1.746 ( 2.537 -1.428 3.967) 4.921 2.073 ( -3.518 0.042 12.398) 12.887 2.507 ( 2.842 8.094 7.433) 11.351 2.599 ( 0.927 4.224 -5.291) 6.833 2.848 ( -3.211 3.958 -6.765) 8.470 3.031 ( 4.640 -2.876 15.871) 16.783 3.146 ( -8.227 5.165 -2.465) 10.021 3.258 ( -11.353 -5.542 7.779) 14.836 3.510 ( 0.652 -4.199 3.457) 5.478 3.638 ( -2.814 -11.056 -7.349) 13.571 3.973 ( 4.804 2.004 -5.051) 7.254 4.215 ( 0.826 -3.088 2.028) 3.785 4.346 ( 2.149 -1.066 1.027) 2.610 4.364 ( -0.753 -0.126 0.205) 0.791 4.829 ( 2.123 -3.173 -17.651) 18.059 4.988 ( -4.675 4.483 -3.027) 7.150 5.368 ( 11.842 4.497 -0.876) 12.697 5.535 ( -0.575 3.813 -6.571) 7.619 5.657 ( 5.952 -4.409 -4.851) 8.854 6.225 ( -2.009 1.302 1.968) 3.100 6.277 ( 1.665 -4.023 4.279) 6.105 6.355 ( -2.406 -1.819 -3.033) 4.277 6.448 ( -0.050 -0.612 -1.414) 1.541 6.617 ( 0.328 0.297 11.246) 11.255 6.828 ( -6.041 0.981 -12.557) 13.969 7.938 ( 3.223 6.214 4.004) 8.064 8.040 ( 7.979 -1.091 1.077) 8.125 8.932 ( -11.577 3.225 -3.759) 12.592 8.992 ( -2.731 4.061 3.887) 6.250 ======================= Grid point 255 (118/185) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 2.365 3.459 6.893) 8.066 1.829 ( 2.687 -3.061 3.838) 5.596 2.082 ( -2.586 0.191 9.000) 9.366 2.442 ( -0.727 7.074 -4.936) 8.656 2.593 ( 0.709 10.230 13.015) 16.569 2.721 ( -0.127 3.663 -4.440) 5.757 2.932 ( -6.199 6.504 -5.463) 10.515 3.095 ( -5.805 -1.415 2.135) 6.345 3.239 ( 1.348 0.447 5.305) 5.491 3.601 ( -4.526 -11.609 -7.565) 14.577 3.733 ( 1.614 -10.328 5.288) 11.715 3.981 ( 3.258 1.502 -2.187) 4.202 4.277 ( 0.333 -3.856 0.099) 3.872 4.383 ( -0.223 -1.932 3.982) 4.432 4.403 ( 0.939 -3.058 4.147) 5.237 4.825 ( 3.195 -5.270 -12.268) 13.730 4.851 ( -1.143 4.032 -4.831) 6.396 5.365 ( -4.896 2.102 -3.770) 6.527 5.506 ( 8.614 7.462 -7.406) 13.592 5.763 ( 4.317 -4.456 -5.065) 8.009 6.175 ( -2.814 1.634 1.168) 3.457 6.306 ( -4.590 -4.303 -5.665) 8.466 6.341 ( -2.637 1.059 3.224) 4.297 6.441 ( -1.531 -4.506 1.965) 5.149 6.647 ( -4.408 2.117 -10.784) 11.841 6.675 ( -0.571 -1.586 7.724) 7.906 7.952 ( 4.165 10.073 3.824) 11.552 8.193 ( 11.338 3.318 -4.896) 12.788 8.639 ( -15.399 2.222 -4.590) 16.221 8.896 ( -4.418 6.652 6.939) 10.580 ======================= Grid point 256 (119/185) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -0.528 1.553 -1.238) 2.055 1.938 ( 4.410 1.710 5.618) 7.344 2.092 ( -0.533 0.248 3.854) 3.899 2.373 ( 1.632 1.701 -0.172) 2.364 2.493 ( -5.975 5.999 4.110) 9.412 2.742 ( 1.475 6.787 -6.177) 9.295 2.791 ( 3.329 4.791 4.487) 7.359 3.020 ( -2.809 -0.027 0.546) 2.862 3.210 ( -3.247 9.119 -2.829) 10.085 3.568 ( -5.901 -12.130 -11.022) 17.419 3.718 ( -2.838 4.641 -2.228) 5.879 4.122 ( 6.068 -5.212 5.635) 9.784 4.303 ( -0.424 -2.572 -0.860) 2.745 4.407 ( -2.316 -4.917 3.371) 6.396 4.456 ( -0.770 -0.997 2.196) 2.532 4.873 ( 4.722 -6.033 -10.831) 13.266 4.906 ( 1.807 -9.340 4.207) 10.402 5.247 ( -2.258 2.896 -1.231) 3.873 5.526 ( 5.261 4.636 -3.530) 7.851 5.803 ( -0.991 -2.949 -5.202) 6.061 6.122 ( -2.946 -0.019 0.297) 2.961 6.178 ( -7.688 1.756 -4.049) 8.864 6.267 ( -4.685 0.562 1.017) 4.827 6.455 ( -2.371 -2.701 -4.358) 5.649 6.528 ( -1.108 2.028 -5.179) 5.672 6.731 ( -0.457 -4.212 2.718) 5.034 7.893 ( -0.693 12.667 4.126) 13.340 8.240 ( 6.912 8.530 -13.265) 17.219 8.392 ( -8.714 -0.696 -3.557) 9.438 8.865 ( 1.041 4.047 12.223) 12.918 ======================= Grid point 257 (120/185) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -1.857 -0.116 -3.282) 3.773 1.922 ( -3.785 12.468 12.333) 17.941 2.157 ( 5.306 -3.431 -1.573) 6.512 2.373 ( -4.171 -0.649 -1.715) 4.556 2.490 ( 7.449 -0.347 5.218) 9.101 2.648 ( 0.296 3.244 -6.840) 7.576 2.783 ( -1.086 8.490 -8.587) 12.124 2.954 ( -4.785 10.017 -2.664) 11.417 3.066 ( 6.186 3.504 5.757) 9.148 3.520 ( -6.036 -11.890 -10.550) 17.003 3.665 ( 0.821 0.783 0.602) 1.284 4.238 ( 1.536 -1.879 -2.160) 3.249 4.312 ( -0.140 -1.895 -1.170) 2.232 4.435 ( -4.067 -0.970 2.531) 4.888 4.481 ( 1.233 -4.995 7.411) 9.022 4.904 ( -0.745 -2.463 -7.870) 8.280 5.008 ( -2.359 -9.604 -1.260) 9.969 5.295 ( 5.029 -2.204 5.702) 7.916 5.567 ( 3.166 0.655 2.785) 4.267 5.710 ( -8.617 -0.253 -2.055) 8.862 6.013 ( -4.454 2.138 -7.491) 8.974 6.086 ( -2.566 -1.567 -2.681) 4.028 6.217 ( -0.628 1.047 4.433) 4.598 6.405 ( 0.389 0.976 -5.508) 5.607 6.469 ( -2.337 0.288 -2.764) 3.631 6.755 ( 0.155 -1.941 -3.995) 4.444 7.786 ( -3.449 5.531 5.999) 8.859 8.127 ( 0.070 8.241 -10.214) 13.125 8.318 ( 2.897 3.023 -5.640) 7.024 8.960 ( 3.759 1.658 10.680) 11.443 ======================= Grid point 258 (121/185) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -3.133 -0.067 -1.869) 3.649 1.806 ( -3.411 13.041 15.946) 20.881 2.159 ( -9.666 13.820 2.464) 17.044 2.295 ( 0.567 -1.501 -0.706) 1.753 2.514 ( -2.538 1.200 -6.154) 6.764 2.646 ( 8.189 -7.529 -2.867) 11.488 2.790 ( 5.449 3.776 4.154) 7.824 2.906 ( 10.757 0.774 -8.222) 13.562 3.178 ( 5.370 1.328 3.195) 6.388 3.477 ( -5.287 -11.339 -9.334) 15.609 3.722 ( 3.373 -2.431 0.711) 4.219 4.216 ( -1.979 -1.714 -6.481) 6.990 4.319 ( -2.980 -5.535 -1.255) 6.411 4.382 ( -4.402 -0.524 3.865) 5.882 4.580 ( 0.528 -0.418 6.552) 6.586 4.842 ( -0.086 2.821 -3.217) 4.280 5.021 ( -2.141 -2.547 -4.258) 5.403 5.372 ( -5.890 -4.259 4.350) 8.471 5.558 ( -6.091 -0.587 1.053) 6.210 5.666 ( 4.215 -2.019 3.648) 5.929 5.892 ( -1.756 1.503 -7.942) 8.271 6.043 ( -1.858 -0.896 -0.867) 2.237 6.283 ( 3.959 1.385 5.338) 6.789 6.383 ( 0.350 0.935 -2.661) 2.842 6.443 ( 0.036 -3.299 -1.262) 3.533 6.750 ( 5.756 3.203 -8.006) 10.367 7.751 ( -3.535 -1.383 7.569) 8.467 8.011 ( -0.807 3.708 -5.286) 6.507 8.329 ( 7.560 5.984 -5.636) 11.167 9.049 ( 1.718 0.521 5.993) 6.256 ======================= Grid point 259 (122/185) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -3.640 2.543 5.836) 7.333 1.697 ( -10.096 10.636 11.262) 18.490 1.895 ( -0.936 12.593 10.494) 16.419 2.334 ( -0.729 -1.956 2.046) 2.923 2.481 ( -0.752 -1.117 2.861) 3.162 2.762 ( -1.858 3.548 0.729) 4.071 2.906 ( 10.014 -9.905 1.750) 14.194 3.144 ( 13.131 -3.663 -6.253) 14.998 3.269 ( 9.009 0.673 -3.708) 9.766 3.471 ( -0.540 -9.729 -7.939) 12.568 3.781 ( -0.373 -5.089 -4.516) 6.814 4.151 ( -6.506 -1.503 1.478) 6.839 4.282 ( -5.043 -4.853 -0.624) 7.027 4.388 ( 1.355 -1.152 0.006) 1.779 4.555 ( -3.312 0.972 -0.070) 3.452 4.854 ( 5.754 4.622 -0.638) 7.408 4.914 ( -3.855 7.038 -4.447) 9.174 5.301 ( -7.442 -4.623 1.875) 8.959 5.470 ( -6.324 -3.588 -5.380) 9.045 5.798 ( 4.989 -1.143 7.353) 8.959 5.831 ( 0.486 4.109 -3.337) 5.315 6.066 ( 1.469 -3.477 3.942) 5.457 6.315 ( 0.554 2.802 0.544) 2.907 6.379 ( 1.073 -1.194 -0.718) 1.758 6.487 ( 0.559 -3.071 -0.746) 3.209 6.834 ( 12.950 5.294 -4.827) 14.799 7.769 ( -4.761 -5.880 8.554) 11.419 7.974 ( -0.107 -1.440 -0.286) 1.472 8.394 ( 11.624 7.063 -4.037) 14.188 9.080 ( -0.674 -1.146 1.556) 2.047 ======================= Grid point 260 (123/185) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -7.228 3.423 15.016) 17.013 1.549 ( -3.580 3.640 12.947) 13.918 1.929 ( 3.202 5.256 12.554) 13.982 2.334 ( -3.990 -2.611 7.415) 8.816 2.527 ( 0.661 2.910 12.760) 13.105 2.702 ( -0.096 1.178 -5.809) 5.928 3.086 ( 0.758 -4.796 -3.333) 5.890 3.273 ( 2.633 -5.743 0.841) 6.373 3.427 ( 6.675 -5.675 -5.280) 10.229 3.589 ( 13.204 -2.239 -11.436) 17.610 3.768 ( -3.098 -4.230 -2.918) 6.001 4.015 ( -11.870 1.397 4.636) 12.819 4.267 ( -1.076 -2.905 -1.813) 3.589 4.368 ( -2.545 -0.100 -3.714) 4.503 4.549 ( -0.316 -0.122 0.681) 0.760 4.737 ( 0.707 4.584 -9.194) 10.297 4.928 ( 9.469 8.707 0.036) 12.864 5.228 ( -5.287 -1.025 -2.908) 6.121 5.377 ( -6.271 -7.034 -4.257) 10.341 5.766 ( 0.124 6.360 -1.589) 6.556 5.940 ( 5.083 -0.163 9.189) 10.502 6.176 ( 4.508 -2.631 3.978) 6.562 6.302 ( -0.478 -0.096 1.139) 1.239 6.426 ( 1.364 -2.553 0.737) 2.987 6.505 ( 0.404 -0.102 -0.925) 1.015 6.954 ( 9.803 4.347 -5.484) 12.045 7.798 ( -5.377 -6.782 8.797) 12.340 8.016 ( -0.556 -3.725 3.198) 4.941 8.544 ( 15.359 5.131 -0.475) 16.201 9.091 ( -0.417 -3.560 -0.827) 3.678 ======================= Grid point 261 (124/185) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -3.223 -2.122 16.379) 16.827 1.568 ( -0.994 2.194 14.800) 14.995 2.000 ( -0.161 1.586 12.825) 12.924 2.376 ( -1.782 -6.055 8.752) 10.790 2.594 ( 1.837 8.852 25.551) 27.103 2.677 ( 2.241 -2.049 -11.335) 11.735 3.045 ( -3.712 -1.867 -6.750) 7.926 3.330 ( -0.836 -1.661 -0.982) 2.103 3.527 ( -1.522 -11.349 -4.845) 12.433 3.688 ( -12.007 -1.843 5.211) 13.218 3.741 ( 10.749 6.895 -9.618) 15.987 3.826 ( -2.297 4.954 -3.266) 6.363 4.265 ( -1.656 -1.907 -1.640) 3.012 4.312 ( -1.564 1.253 -2.226) 2.995 4.437 ( -4.332 3.621 -1.242) 5.781 4.856 ( 12.583 -6.803 -7.064) 15.953 4.983 ( 8.974 6.571 -13.894) 17.798 5.129 ( -3.542 2.837 4.181) 6.171 5.370 ( -0.981 -6.729 0.755) 6.842 5.702 ( 0.001 4.442 -2.356) 5.028 6.073 ( 4.425 0.839 8.898) 9.973 6.297 ( 0.374 -1.099 0.253) 1.188 6.319 ( 4.037 -1.616 5.254) 6.820 6.454 ( -0.496 -0.263 0.653) 0.861 6.487 ( 0.235 1.850 -1.867) 2.639 7.015 ( 4.665 0.258 -8.018) 9.280 7.833 ( -2.860 -4.939 7.576) 9.485 8.015 ( -3.877 -0.097 2.599) 4.668 8.787 ( 13.863 -0.151 2.927) 14.169 9.123 ( -0.002 -3.500 -1.372) 3.760 ======================= Grid point 263 (125/185) ======================= q-point: ( 0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.459 0.000 -2.557) 2.598 1.780 ( 4.677 0.000 13.396) 14.189 2.084 ( -3.174 -0.000 10.047) 10.537 2.501 ( -0.589 -0.000 -14.230) 14.242 2.759 ( -7.210 -0.000 -2.182) 7.534 2.762 ( 6.292 0.000 13.537) 14.928 3.025 ( -6.717 -0.000 -0.361) 6.726 3.087 ( -4.511 -0.000 -3.423) 5.663 3.212 ( 3.383 0.000 11.494) 11.982 3.501 ( 0.828 0.000 6.212) 6.267 3.536 ( -0.334 -0.000 -1.626) 1.660 4.023 ( 2.795 0.000 -4.606) 5.388 4.226 ( 0.354 0.000 1.477) 1.519 4.368 ( -0.385 -0.000 2.366) 2.397 4.370 ( 0.945 0.000 2.773) 2.930 4.772 ( 3.595 0.000 -11.984) 12.512 4.907 ( -3.629 -0.000 -6.429) 7.383 5.384 ( -5.018 -0.000 -4.922) 7.029 5.642 ( 12.064 0.000 -10.404) 15.931 5.666 ( 0.462 0.000 -2.849) 2.886 6.213 ( -3.181 -0.000 1.577) 3.551 6.255 ( -4.385 -0.000 -5.919) 7.366 6.289 ( 0.483 0.000 3.587) 3.619 6.422 ( -4.179 -0.000 2.795) 5.028 6.667 ( -4.458 -0.000 -10.886) 11.763 6.668 ( -0.763 -0.000 7.769) 7.807 8.051 ( 5.016 0.000 1.972) 5.389 8.224 ( 11.984 0.000 -1.005) 12.026 8.662 ( -17.812 -0.000 -6.019) 18.801 8.967 ( -5.139 -0.000 5.958) 7.868 ======================= Grid point 264 (126/185) ======================= q-point: ( 0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -1.699 0.213 -4.214) 4.549 1.957 ( 8.934 0.431 5.485) 10.493 2.093 ( -2.387 -0.056 9.569) 9.863 2.387 ( -1.687 0.097 -14.485) 14.583 2.613 ( -5.880 3.217 -0.237) 6.706 2.894 ( -2.290 7.019 -6.695) 9.967 2.913 ( 5.492 6.509 11.795) 14.548 3.010 ( -1.947 -2.313 -2.214) 3.747 3.302 ( 1.368 0.455 2.411) 2.809 3.469 ( -0.903 5.274 -0.105) 5.352 3.697 ( 1.696 -10.677 6.784) 12.763 4.017 ( 1.148 -0.633 -0.840) 1.557 4.236 ( -1.388 -3.690 0.078) 3.943 4.351 ( -3.283 -0.239 2.550) 4.164 4.425 ( 0.693 -2.187 3.351) 4.061 4.798 ( 3.755 -2.287 -5.649) 7.158 4.829 ( 0.924 0.357 -7.187) 7.254 5.291 ( -1.433 1.297 -1.911) 2.718 5.611 ( -0.815 3.308 -1.501) 3.723 5.744 ( 2.897 -2.574 -8.211) 9.079 6.125 ( -6.093 -0.992 -3.198) 6.953 6.149 ( -4.863 -0.161 -4.433) 6.583 6.313 ( -2.770 0.331 3.246) 4.280 6.361 ( -4.272 -3.101 3.384) 6.271 6.558 ( -1.923 0.815 -7.623) 7.904 6.695 ( 0.387 -0.276 2.175) 2.226 8.059 ( -7.072 4.050 -0.585) 8.170 8.355 ( 7.702 3.043 -10.161) 13.108 8.380 ( -6.041 -0.253 -4.277) 7.406 8.939 ( -1.034 2.533 10.516) 10.866 ======================= Grid point 265 (127/185) ======================= q-point: ( 0.33 0.11 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -2.626 -0.223 -3.753) 4.586 2.091 ( 3.340 -2.575 -3.144) 5.260 2.119 ( 2.111 6.566 10.458) 12.528 2.305 ( -0.947 -4.112 -12.772) 13.451 2.550 ( 4.000 3.035 0.699) 5.069 2.753 ( -1.431 7.187 -4.690) 8.700 2.913 ( -0.329 4.676 0.279) 4.696 3.072 ( 3.359 1.230 -0.446) 3.605 3.237 ( -1.223 10.568 -3.222) 11.115 3.402 ( -1.459 2.571 -0.297) 2.971 3.710 ( -1.637 3.146 0.091) 3.548 4.127 ( -1.159 -7.994 1.842) 8.285 4.301 ( -4.939 -4.446 1.449) 6.801 4.317 ( 4.319 -5.737 7.529) 10.404 4.439 ( -2.387 -1.386 1.470) 3.127 4.824 ( -1.748 -5.088 -2.458) 5.915 4.875 ( 6.050 -1.620 -5.487) 8.327 5.308 ( 3.369 2.173 5.523) 6.825 5.574 ( -1.598 0.002 3.151) 3.533 5.697 ( -5.740 -0.966 -3.575) 6.831 5.999 ( -6.415 -2.716 -9.265) 11.592 6.066 ( -3.311 -0.536 0.326) 3.370 6.263 ( -0.690 3.398 2.905) 4.524 6.369 ( -1.713 -4.395 -0.807) 4.786 6.474 ( -3.252 0.259 -5.417) 6.324 6.710 ( 0.988 -1.031 -2.986) 3.310 7.813 ( -13.946 -1.912 -1.884) 14.202 8.287 ( 0.736 7.263 -13.162) 15.051 8.395 ( 6.761 3.600 -3.273) 8.330 9.010 ( 3.747 2.807 10.354) 11.363 ======================= Grid point 266 (128/185) ======================= q-point: (-0.56 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -2.025 -0.284 -1.584) 2.587 2.042 ( -4.763 8.404 10.091) 13.969 2.212 ( 5.370 -1.356 -2.544) 6.094 2.279 ( 0.216 -5.799 -5.087) 7.717 2.586 ( -0.006 4.298 -7.846) 8.946 2.662 ( -1.984 9.927 -0.598) 10.142 2.880 ( 11.718 4.623 -10.060) 16.122 2.953 ( -2.135 3.876 -3.670) 5.749 3.237 ( 6.479 4.101 0.862) 7.716 3.366 ( -0.473 2.291 1.519) 2.789 3.683 ( -1.280 -1.041 0.613) 1.760 4.121 ( -6.221 -7.327 -2.294) 9.882 4.252 ( -2.922 -1.499 -0.320) 3.299 4.397 ( -2.242 1.127 4.314) 4.991 4.554 ( 4.437 -3.815 9.998) 11.585 4.815 ( -3.122 -6.786 -2.401) 7.846 4.960 ( 5.288 -0.066 -2.510) 5.854 5.332 ( -5.998 0.642 7.199) 9.392 5.570 ( -6.698 0.247 0.241) 6.707 5.624 ( 2.590 -1.956 6.395) 7.172 5.884 ( -2.663 -2.046 -8.169) 8.832 6.043 ( -1.192 -0.113 1.341) 1.798 6.280 ( 2.218 -0.375 2.738) 3.543 6.378 ( -0.659 -2.126 -2.526) 3.366 6.396 ( -2.189 -1.585 -2.038) 3.385 6.728 ( 3.495 -2.702 -6.968) 8.251 7.673 ( -7.843 -6.960 0.707) 10.510 8.123 ( -1.289 7.672 -13.018) 15.165 8.449 ( 7.079 5.318 -2.855) 9.303 9.089 ( 2.736 3.104 5.223) 6.663 ======================= Grid point 267 (129/185) ======================= q-point: (-0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -1.261 0.857 2.208) 2.683 1.919 ( -6.449 10.895 9.150) 15.621 2.199 ( -6.331 15.043 4.283) 16.874 2.288 ( 2.601 -3.646 -2.749) 5.256 2.415 ( -2.557 -1.390 -5.633) 6.340 2.714 ( 9.701 -6.856 -2.494) 12.138 2.864 ( -2.622 2.994 1.561) 4.275 3.084 ( 10.697 -1.922 -7.554) 13.235 3.322 ( 8.354 6.840 1.610) 10.916 3.383 ( 8.101 -0.096 -5.234) 9.645 3.668 ( -2.991 -5.648 -3.541) 7.306 4.049 ( -11.472 -8.067 2.665) 14.275 4.238 ( -0.218 -0.117 0.527) 0.582 4.402 ( 1.707 2.221 3.955) 4.847 4.592 ( -2.528 2.361 0.688) 3.527 4.886 ( 1.714 -6.436 4.969) 8.310 4.980 ( 0.589 4.623 -4.043) 6.170 5.226 ( -8.952 -2.385 5.872) 10.969 5.461 ( -4.936 1.902 -1.785) 5.583 5.749 ( 3.860 -2.889 6.239) 7.885 5.882 ( 3.180 -0.518 0.159) 3.226 6.034 ( 0.183 0.945 2.106) 2.316 6.334 ( -0.523 -3.925 -1.084) 4.105 6.355 ( -0.843 -0.698 0.115) 1.100 6.417 ( 1.208 -1.535 -0.003) 1.954 6.845 ( 10.636 -4.465 -4.471) 12.372 7.660 ( -3.543 -6.780 1.325) 7.763 7.960 ( -3.578 2.435 -9.223) 10.188 8.507 ( 7.784 3.838 -2.791) 9.116 9.095 ( -0.258 2.705 -0.188) 2.724 ======================= Grid point 268 (130/185) ======================= q-point: (-0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -1.193 2.705 6.822) 7.435 1.693 ( -9.671 12.432 8.922) 18.102 2.065 ( -0.807 7.935 9.237) 12.204 2.309 ( -3.391 0.386 4.347) 5.526 2.446 ( 3.979 -7.975 -4.950) 10.195 2.779 ( -3.430 2.279 1.966) 4.563 2.969 ( 6.579 -7.337 -0.867) 9.893 3.159 ( 2.417 -4.375 -3.369) 6.028 3.376 ( 3.044 4.388 6.969) 8.780 3.580 ( 15.112 -1.540 -14.620) 21.083 3.696 ( 5.289 -2.230 -2.064) 6.100 3.946 ( -12.099 -7.382 6.556) 15.616 4.236 ( -0.930 -0.433 1.281) 1.641 4.395 ( -1.174 3.157 -2.702) 4.319 4.550 ( 0.779 1.338 1.125) 1.914 4.839 ( -5.586 4.663 -5.482) 9.110 5.025 ( 4.400 -3.923 5.252) 7.895 5.188 ( -1.700 -0.199 4.156) 4.495 5.338 ( -3.222 4.197 -7.843) 9.461 5.830 ( -0.282 -0.878 -0.317) 0.975 5.975 ( 6.648 4.135 10.067) 12.753 6.100 ( 3.530 -4.327 4.609) 7.241 6.313 ( -1.781 0.196 -1.340) 2.237 6.373 ( 0.679 -2.818 0.110) 2.900 6.465 ( 1.386 -3.094 0.238) 3.398 7.035 ( 9.344 1.315 -2.944) 9.884 7.673 ( -2.882 -4.351 1.784) 5.516 7.891 ( -2.579 -8.438 -3.175) 9.377 8.614 ( 9.314 0.739 -2.016) 9.558 9.043 ( -2.335 -0.149 -3.210) 3.972 ======================= Grid point 269 (131/185) ======================= q-point: (-0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -6.264 3.920 15.655) 17.311 1.620 ( 0.172 3.163 9.433) 9.951 2.054 ( -2.110 3.540 11.510) 12.226 2.286 ( -3.682 -2.786 6.913) 8.313 2.559 ( 3.726 -7.026 -8.875) 11.917 2.752 ( 0.406 2.119 9.547) 9.787 2.999 ( -2.354 -2.590 -7.057) 7.877 3.261 ( 0.943 -5.295 0.091) 5.379 3.428 ( 2.676 4.046 7.628) 9.040 3.645 ( -5.956 -2.253 2.143) 6.719 3.790 ( 5.961 -1.283 -7.037) 9.311 3.924 ( 4.100 3.179 -1.762) 5.479 4.244 ( 0.411 -0.775 1.614) 1.837 4.321 ( -2.246 1.300 -1.524) 3.009 4.533 ( -3.508 4.263 -1.346) 5.683 4.749 ( 5.307 -2.653 -4.761) 7.607 5.123 ( -0.425 -1.719 -4.726) 5.047 5.165 ( -2.985 3.044 -11.690) 12.443 5.255 ( 8.221 2.829 6.994) 11.158 5.783 ( -2.058 2.289 -3.375) 4.568 6.110 ( 5.588 3.063 10.063) 11.911 6.255 ( 4.937 -3.967 5.802) 8.589 6.287 ( -0.810 -0.421 -0.355) 0.979 6.425 ( 1.318 -2.515 2.590) 3.844 6.511 ( 1.366 -0.722 -0.562) 1.644 7.054 ( 1.218 4.001 -7.062) 8.208 7.697 ( -3.150 -7.437 5.738) 9.907 7.957 ( 0.232 -7.033 -1.377) 7.171 8.767 ( 8.238 -2.591 -0.288) 8.640 9.016 ( -1.923 -5.891 -2.617) 6.727 ======================= Grid point 270 (132/185) ======================= q-point: (-0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -2.295 -2.134 15.877) 16.183 1.673 ( 2.067 2.022 10.319) 10.717 2.058 ( -3.415 1.069 13.097) 13.577 2.342 ( -1.042 -7.295 9.814) 12.273 2.594 ( 1.321 -6.062 -11.644) 13.194 2.856 ( 4.138 1.107 9.443) 10.370 2.934 ( -2.223 -0.460 -1.139) 2.540 3.246 ( -5.643 -3.494 -3.342) 7.431 3.445 ( -6.898 5.210 12.640) 15.313 3.517 ( -5.149 0.650 2.441) 5.735 3.837 ( -0.739 7.072 -3.616) 7.977 3.905 ( 7.735 3.650 -11.054) 13.977 4.242 ( -1.190 3.151 1.840) 3.838 4.310 ( 1.717 -0.334 0.539) 1.830 4.405 ( -2.856 3.146 -1.709) 4.580 4.949 ( 7.943 -7.488 -7.122) 13.034 4.968 ( -1.058 4.389 -13.197) 13.948 5.148 ( 3.618 -4.268 -3.031) 6.364 5.441 ( 9.032 -0.020 4.681) 10.173 5.698 ( -1.432 2.498 -6.139) 6.781 6.208 ( 3.158 2.821 6.820) 8.028 6.273 ( -1.767 -0.418 1.456) 2.327 6.366 ( 2.082 -1.492 0.460) 2.603 6.493 ( 0.047 3.706 -3.019) 4.780 6.515 ( 2.821 -1.102 9.075) 9.567 6.968 ( -3.131 -0.741 -10.493) 10.975 7.789 ( 0.351 -8.530 6.967) 11.019 7.985 ( 0.911 -0.329 -1.277) 1.603 8.919 ( 3.317 -5.753 2.285) 7.022 9.027 ( -4.300 -6.937 -2.270) 8.472 ======================= Grid point 273 (133/185) ======================= q-point: ( 0.22 0.22 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -2.819 -0.000 -3.643) 4.607 2.066 ( 2.705 0.000 -4.325) 5.102 2.186 ( 4.595 0.000 11.750) 12.616 2.253 ( -1.974 -0.000 -15.935) 16.057 2.579 ( 3.042 0.000 -2.834) 4.157 2.870 ( -5.411 -0.000 -4.724) 7.183 2.908 ( 1.933 0.000 -6.649) 6.924 3.087 ( 3.541 0.000 2.822) 4.528 3.323 ( 0.462 0.000 -0.769) 0.897 3.575 ( 0.174 0.000 2.348) 2.355 3.711 ( 2.731 0.000 9.898) 10.268 4.008 ( -0.950 -0.000 3.519) 3.645 4.162 ( -3.950 -0.000 0.326) 3.963 4.317 ( -2.684 -0.000 4.202) 4.986 4.413 ( -1.513 -0.000 0.608) 1.631 4.784 ( -0.980 -0.000 -2.631) 2.807 4.866 ( 7.539 0.000 -5.822) 9.526 5.337 ( 4.366 0.000 4.321) 6.142 5.571 ( -5.690 -0.000 5.130) 7.661 5.685 ( -3.937 -0.000 -5.113) 6.453 5.963 ( -6.250 -0.000 -8.200) 10.310 6.065 ( -4.257 -0.000 0.210) 4.262 6.302 ( -2.072 -0.000 3.219) 3.828 6.309 ( -0.809 -0.000 0.752) 1.104 6.476 ( -3.808 -0.000 -6.427) 7.470 6.707 ( 1.393 0.000 -3.072) 3.373 7.782 ( -17.342 -0.000 -5.871) 18.309 8.365 ( 1.401 0.000 -15.463) 15.526 8.431 ( 6.931 0.000 -0.328) 6.939 9.043 ( 3.636 0.000 10.078) 10.714 ======================= Grid point 274 (134/185) ======================= q-point: (-0.67 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -1.936 -0.169 -1.123) 2.244 2.078 ( -0.578 -1.224 0.339) 1.396 2.174 ( 1.497 -3.156 -11.079) 11.616 2.260 ( 2.171 3.161 1.648) 4.174 2.672 ( 5.478 4.042 -4.873) 8.372 2.755 ( -1.683 -0.246 -1.205) 2.085 2.936 ( 7.473 0.844 -8.409) 11.281 3.048 ( -3.897 2.923 -11.142) 12.161 3.315 ( 3.598 3.618 -3.417) 6.141 3.553 ( 2.718 11.348 9.315) 14.931 3.706 ( -4.225 3.058 -1.191) 5.349 3.996 ( -7.331 -2.930 3.080) 8.474 4.195 ( -2.062 -7.085 6.396) 9.765 4.393 ( 4.574 -7.075 9.896) 12.997 4.407 ( -0.024 -0.556 5.459) 5.487 4.735 ( -2.983 -0.679 -4.337) 5.308 4.979 ( 8.540 0.842 -2.472) 8.931 5.388 ( -4.925 4.257 6.985) 9.548 5.517 ( -7.273 -4.775 7.098) 11.228 5.613 ( 0.431 0.132 2.101) 2.149 5.841 ( -3.183 -1.521 -6.885) 7.736 6.031 ( -1.072 -0.454 3.277) 3.478 6.295 ( -1.671 -1.280 -1.756) 2.741 6.313 ( 1.009 0.003 1.704) 1.980 6.369 ( -3.881 -1.503 -4.295) 5.981 6.707 ( 2.909 0.201 -7.641) 8.178 7.541 ( -9.586 -4.617 -4.228) 11.449 8.248 ( -0.976 3.759 -16.771) 17.215 8.520 ( 4.835 1.838 -1.278) 5.328 9.143 ( 3.236 1.782 4.897) 6.134 ======================= Grid point 275 (135/185) ======================= q-point: (-0.56 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.143 0.206 2.104) 2.119 2.055 ( -3.595 1.884 4.179) 5.825 2.210 ( 4.751 -2.691 -6.835) 8.748 2.304 ( 3.103 1.029 3.388) 4.708 2.566 ( -6.343 7.912 -2.517) 10.448 2.685 ( 1.181 4.751 -9.941) 11.081 2.898 ( -2.951 1.186 -4.716) 5.688 3.045 ( 7.253 -1.516 -9.826) 12.306 3.385 ( 13.987 1.810 -12.517) 18.857 3.546 ( 0.638 6.021 7.919) 9.968 3.615 ( -0.117 4.966 3.370) 6.002 3.894 ( -11.341 -5.379 3.510) 13.033 4.243 ( -0.079 -0.436 4.007) 4.031 4.450 ( 2.358 1.814 9.114) 9.587 4.634 ( 0.278 1.332 2.265) 2.643 4.671 ( -1.506 -12.126 4.977) 13.194 5.074 ( 5.422 3.839 -2.771) 7.198 5.226 ( -10.764 2.884 7.885) 13.651 5.468 ( -5.966 -3.128 3.837) 7.753 5.705 ( 3.998 -0.852 5.155) 6.580 5.833 ( 2.436 -3.243 0.221) 4.062 6.064 ( 1.588 0.794 4.529) 4.865 6.258 ( -0.955 -1.923 -3.185) 3.842 6.300 ( -2.819 -3.538 -1.985) 4.940 6.408 ( 2.441 -1.369 4.376) 5.195 6.745 ( 7.639 -3.337 -8.502) 11.907 7.488 ( -3.224 -9.005 -2.655) 9.926 8.068 ( -2.924 6.277 -16.362) 17.767 8.548 ( 2.039 0.793 -2.366) 3.222 9.160 ( 0.254 3.121 -1.182) 3.347 ======================= Grid point 276 (136/185) ======================= q-point: (-0.44 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.945 1.442 5.049) 5.335 1.955 ( -5.841 10.300 4.826) 12.787 2.209 ( -4.653 7.683 -4.392) 9.998 2.320 ( 5.249 -2.972 -1.474) 6.209 2.379 ( -3.952 6.645 6.349) 10.004 2.772 ( 2.641 -2.860 -2.922) 4.867 2.838 ( 3.558 -3.490 -1.722) 5.273 3.043 ( -1.996 -7.300 -12.231) 14.383 3.504 ( 4.761 -4.673 -5.831) 8.860 3.600 ( 5.008 13.209 14.388) 20.164 3.690 ( 12.190 -0.280 -6.685) 13.906 3.791 ( -6.399 -5.252 3.183) 8.870 4.251 ( -0.574 1.575 3.646) 4.013 4.482 ( -1.303 4.978 0.300) 5.155 4.581 ( -0.249 0.855 3.409) 3.524 4.814 ( -1.949 -8.878 4.694) 10.230 4.955 ( -9.615 3.217 2.339) 10.405 5.223 ( 6.180 2.561 2.474) 7.133 5.435 ( -0.320 2.615 0.459) 2.675 5.785 ( 0.004 -2.122 3.178) 3.822 5.972 ( 5.958 -4.709 7.013) 10.337 6.109 ( 4.198 4.550 4.447) 7.623 6.280 ( -2.763 -4.826 -1.903) 5.878 6.283 ( 0.897 -3.845 -0.221) 3.954 6.452 ( 1.177 1.308 1.884) 2.578 6.954 ( 11.017 -8.108 0.180) 13.680 7.553 ( 1.488 -10.769 -3.826) 11.525 7.831 ( -7.296 5.080 -14.040) 16.618 8.574 ( 1.733 -3.843 -2.415) 4.859 9.083 ( -2.934 3.188 -5.775) 7.220 ======================= Grid point 277 (137/185) ======================= q-point: (-0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -1.116 4.698 8.057) 9.394 1.741 ( -4.693 12.789 6.601) 15.138 2.106 ( -2.931 1.139 2.706) 4.148 2.280 ( -6.113 2.053 8.522) 10.687 2.447 ( 4.704 -2.352 -5.254) 7.434 2.730 ( -0.557 -1.869 1.015) 2.199 2.925 ( -1.701 -5.026 -8.673) 10.167 3.120 ( 4.311 -8.632 -0.487) 9.661 3.587 ( -1.718 -2.842 2.589) 4.210 3.651 ( 5.851 12.696 13.185) 19.216 3.682 ( -4.484 -8.695 2.053) 9.996 3.959 ( 15.632 1.073 -10.237) 18.717 4.256 ( 1.254 2.524 4.509) 5.317 4.384 ( -2.480 4.730 -1.079) 5.449 4.586 ( -0.734 1.564 2.044) 2.676 4.751 ( -5.669 1.631 -2.340) 6.346 4.925 ( -2.273 -9.705 1.299) 10.052 5.313 ( 4.201 6.158 -3.366) 8.179 5.400 ( 7.202 8.952 -0.981) 11.531 5.778 ( -3.887 -2.049 -0.505) 4.423 6.140 ( 3.214 -3.785 3.207) 5.911 6.213 ( 7.615 2.908 9.982) 12.888 6.266 ( -1.170 -2.625 -0.726) 2.964 6.364 ( 3.542 -3.173 3.366) 5.826 6.480 ( 1.667 -0.862 1.272) 2.267 7.122 ( 0.289 0.769 0.107) 0.829 7.603 ( -4.965 -0.668 -4.754) 6.907 7.725 ( 4.395 -15.763 -6.549) 17.626 8.658 ( 1.963 -8.380 -1.511) 8.738 8.957 ( -4.731 0.110 -6.347) 7.917 ======================= Grid point 278 (138/185) ======================= q-point: (-0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -4.763 5.589 14.508) 16.260 1.732 ( 2.876 3.819 7.492) 8.888 2.077 ( -3.526 0.229 7.202) 8.022 2.246 ( -4.357 -1.904 11.286) 12.247 2.460 ( 0.259 -5.979 -11.420) 12.894 2.809 ( 1.470 -3.772 -3.849) 5.586 2.910 ( 1.720 -2.304 3.900) 4.845 3.166 ( -5.246 -3.886 -2.585) 7.021 3.494 ( -11.150 -0.800 5.101) 12.287 3.688 ( 4.902 11.703 12.016) 17.475 3.804 ( 5.417 -5.330 -3.332) 8.298 4.054 ( 5.418 5.360 -9.370) 12.078 4.306 ( 3.591 2.697 5.367) 6.998 4.322 ( -0.157 4.371 4.690) 6.413 4.501 ( -4.196 5.680 -3.072) 7.701 4.751 ( 0.830 -9.833 -0.141) 9.869 4.997 ( 2.419 -6.798 -4.064) 8.281 5.168 ( 2.795 11.813 -18.035) 21.740 5.512 ( 8.479 5.879 4.018) 11.072 5.709 ( -3.024 -1.225 -4.525) 5.578 6.219 ( -0.572 -2.282 2.890) 3.726 6.262 ( 1.316 -1.157 1.218) 2.134 6.358 ( 3.612 -0.374 3.986) 5.392 6.503 ( 3.913 0.893 7.653) 8.642 6.532 ( 4.037 0.314 2.015) 4.523 6.980 ( -7.980 2.093 -8.113) 11.571 7.602 ( -2.654 -10.146 4.785) 11.527 7.911 ( 6.406 -7.839 -6.496) 12.028 8.763 ( -0.326 -9.979 0.835) 10.019 8.879 ( -4.865 -6.479 -3.541) 8.842 ======================= Grid point 279 (139/185) ======================= q-point: (-0.11 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -0.406 -1.688 14.672) 14.775 1.794 ( 3.326 3.254 5.256) 7.020 2.071 ( -3.199 -0.348 9.363) 9.901 2.319 ( -1.356 -7.945 13.581) 15.793 2.479 ( 1.048 -7.365 -7.126) 10.302 2.770 ( -2.347 -3.359 -10.066) 10.868 3.043 ( -8.054 -3.965 -1.784) 9.153 3.056 ( 3.516 -0.688 7.733) 8.523 3.323 ( -10.859 1.348 2.658) 11.260 3.713 ( 3.011 11.115 9.963) 15.227 3.872 ( 0.408 6.222 -4.069) 7.446 3.943 ( 1.280 3.697 -11.215) 11.878 4.307 ( 0.659 5.934 4.416) 7.426 4.368 ( 0.422 1.490 4.157) 4.436 4.399 ( 1.158 4.051 0.946) 4.318 4.838 ( -2.300 -9.452 -2.009) 9.933 4.941 ( 0.987 7.550 -15.887) 17.618 5.226 ( 13.283 -7.316 -7.723) 17.018 5.512 ( -4.378 0.893 -1.836) 4.831 5.723 ( 7.084 2.444 -3.912) 8.453 6.205 ( -3.053 -1.175 0.972) 3.413 6.319 ( 1.341 -1.288 2.210) 2.888 6.407 ( 0.348 2.598 2.061) 3.335 6.490 ( -1.044 2.732 -3.635) 4.666 6.628 ( 1.572 2.823 11.713) 12.151 6.798 ( -6.515 -1.554 -11.476) 13.288 7.748 ( 1.935 -12.952 6.391) 14.572 8.030 ( 7.822 -2.470 -5.397) 9.819 8.824 ( -9.247 -7.073 -2.818) 11.978 8.848 ( -3.093 -9.833 4.041) 11.072 ======================= Grid point 283 (140/185) ======================= q-point: (-0.67 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 0.253 0.000 2.365) 2.379 2.059 ( -1.785 -0.000 1.459) 2.305 2.175 ( 6.352 0.000 -4.238) 7.636 2.330 ( 4.660 0.000 -0.395) 4.677 2.631 ( -6.056 -0.000 -1.404) 6.217 2.768 ( 2.033 0.000 -3.842) 4.347 2.888 ( -5.676 -0.000 -16.093) 17.064 3.048 ( 6.274 0.000 -8.548) 10.604 3.427 ( 12.911 0.000 -12.811) 18.189 3.572 ( -5.502 -0.000 -3.319) 6.425 3.648 ( -5.056 -0.000 4.692) 6.898 3.949 ( -4.280 -0.000 13.323) 13.993 4.192 ( 0.173 0.000 8.032) 8.034 4.462 ( 0.692 0.000 12.106) 12.126 4.512 ( 5.189 0.000 9.234) 10.592 4.666 ( -1.017 -0.000 -3.369) 3.519 5.112 ( 7.683 0.000 -2.664) 8.132 5.335 ( -13.795 -0.000 12.790) 18.812 5.345 ( -6.447 -0.000 3.392) 7.284 5.710 ( 5.926 0.000 3.712) 6.993 5.791 ( 0.641 0.000 -0.294) 0.705 6.069 ( 2.351 0.000 6.162) 6.595 6.235 ( -2.892 -0.000 -2.013) 3.524 6.272 ( -1.838 -0.000 -2.040) 2.746 6.382 ( 3.516 0.000 2.797) 4.493 6.722 ( 6.081 0.000 -11.714) 13.198 7.386 ( -3.604 -0.000 -3.277) 4.871 8.138 ( -1.810 -0.000 -18.301) 18.390 8.554 ( -0.455 -0.000 -2.614) 2.653 9.194 ( 0.181 0.000 -1.331) 1.343 ======================= Grid point 285 (141/185) ======================= q-point: (-0.56 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 1.825 0.576 5.049) 5.399 2.030 ( -2.467 0.345 1.151) 2.744 2.284 ( 5.790 0.129 -1.147) 5.904 2.403 ( 2.369 6.085 3.816) 7.564 2.523 ( -3.816 6.041 0.452) 7.160 2.701 ( 4.601 -0.404 -8.485) 9.660 2.807 ( -1.830 -5.429 -5.551) 7.978 2.953 ( -7.508 1.132 -12.426) 14.562 3.442 ( 1.550 -0.990 -2.681) 3.252 3.560 ( -10.304 -6.848 2.963) 12.722 3.725 ( 20.797 1.067 -10.867) 23.490 3.920 ( -2.127 9.664 11.541) 15.202 4.252 ( -0.254 -2.599 5.001) 5.642 4.526 ( -3.747 0.098 6.390) 7.408 4.563 ( -0.634 -2.417 4.505) 5.151 4.726 ( 3.577 0.606 6.173) 7.161 5.081 ( -8.446 8.950 6.986) 14.151 5.268 ( 6.898 1.779 1.494) 7.278 5.369 ( -2.136 -8.540 7.061) 11.285 5.791 ( 2.680 2.610 2.613) 4.563 5.874 ( 4.298 -4.681 4.517) 7.797 6.152 ( 2.981 -0.017 3.063) 4.274 6.184 ( -2.742 -3.140 -2.453) 4.837 6.284 ( 3.456 2.548 5.746) 7.173 6.463 ( 2.149 -0.574 3.754) 4.364 6.811 ( 11.353 -4.532 -9.931) 15.750 7.363 ( -1.406 -6.063 -2.524) 6.716 7.957 ( -4.087 4.800 -19.586) 20.575 8.501 ( -4.046 -2.724 -2.892) 5.670 9.133 ( -3.392 1.519 -6.659) 7.626 ======================= Grid point 286 (142/185) ======================= q-point: (-0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 1.949 1.535 6.305) 6.776 1.976 ( -2.695 4.460 0.759) 5.265 2.207 ( -4.558 13.710 -4.426) 15.110 2.308 ( -4.119 1.094 5.264) 6.773 2.517 ( 3.253 7.482 5.038) 9.589 2.715 ( -4.454 -0.505 -6.413) 7.824 2.806 ( -1.286 -5.866 -4.961) 7.790 2.938 ( 9.968 -9.821 -0.647) 14.008 3.489 ( -8.177 -9.161 4.389) 13.040 3.510 ( 1.112 -3.889 1.823) 4.437 3.847 ( -3.512 5.456 6.885) 9.461 3.984 ( 19.307 1.410 -15.379) 24.724 4.298 ( 1.130 0.031 5.676) 5.787 4.471 ( -1.560 3.207 0.678) 3.630 4.577 ( -4.640 -1.851 5.457) 7.398 4.767 ( -2.809 -1.302 0.935) 3.234 4.924 ( -0.454 12.387 8.692) 15.140 5.407 ( 9.649 3.316 0.285) 10.207 5.479 ( 2.933 -3.516 4.929) 6.728 5.772 ( -2.068 3.500 -0.767) 4.137 6.037 ( 4.493 -6.013 4.539) 8.772 6.167 ( -2.440 -6.121 -1.332) 6.723 6.227 ( 2.452 -1.919 2.592) 4.051 6.398 ( 9.716 6.406 9.615) 15.096 6.492 ( 0.968 1.300 1.007) 1.909 7.050 ( 7.977 -7.344 2.889) 11.221 7.400 ( -2.663 -13.578 -8.100) 16.033 7.689 ( -4.485 6.565 -17.872) 19.561 8.481 ( -2.900 -8.538 -1.114) 9.085 8.985 ( -6.006 1.864 -9.357) 11.274 ======================= Grid point 287 (143/185) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -0.979 6.707 8.019) 10.500 1.844 ( -1.493 10.111 4.120) 11.020 2.066 ( -2.878 0.439 -0.104) 2.914 2.260 ( -5.398 2.191 12.097) 13.427 2.420 ( -2.300 2.636 -7.733) 8.487 2.715 ( -1.606 -6.249 -5.721) 8.623 2.875 ( 5.937 -0.569 7.546) 9.618 3.100 ( -0.169 -3.544 -2.916) 4.593 3.443 ( -8.668 -4.725 4.601) 10.892 3.645 ( 5.506 -9.642 0.770) 11.130 3.786 ( -4.268 -1.319 2.085) 4.930 4.140 ( 10.862 3.746 -10.685) 15.691 4.358 ( 1.686 0.863 6.129) 6.415 4.434 ( 0.412 4.450 2.813) 5.281 4.556 ( -1.318 -2.381 0.818) 2.841 4.678 ( -1.739 6.029 0.908) 6.340 4.946 ( 5.833 4.338 3.544) 8.087 5.413 ( 2.905 11.631 -10.219) 15.752 5.620 ( 9.731 1.167 0.953) 9.847 5.672 ( -5.662 1.092 -1.545) 5.969 6.155 ( 0.304 -3.682 2.062) 4.231 6.198 ( 0.428 -5.679 -0.279) 5.702 6.314 ( 2.224 -3.297 4.262) 5.830 6.504 ( 1.167 -0.340 -0.149) 1.225 6.600 ( 12.479 6.246 12.535) 18.758 7.029 ( -12.622 2.168 -3.602) 13.304 7.393 ( -6.428 -11.737 -4.118) 14.001 7.701 ( 10.803 -11.381 -10.813) 19.057 8.549 ( -1.510 -10.845 2.454) 11.221 8.813 ( -6.627 -0.623 -8.037) 10.436 ======================= Grid point 288 (144/185) ======================= q-point: (-0.22 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -3.441 7.552 12.401) 14.922 1.859 ( 3.349 2.841 4.759) 6.476 2.044 ( -2.034 -2.412 1.582) 3.529 2.246 ( -4.553 0.383 16.593) 17.211 2.374 ( 2.197 -1.968 -5.897) 6.593 2.691 ( -2.778 -5.152 -6.696) 8.894 2.998 ( -7.728 -0.498 -7.391) 10.705 3.038 ( 4.523 -1.380 8.418) 9.656 3.329 ( -9.864 -0.774 1.249) 9.973 3.753 ( -3.891 -4.704 -0.546) 6.129 3.838 ( 5.851 -7.369 -0.569) 9.426 4.121 ( 1.354 9.625 -7.704) 12.402 4.397 ( -0.639 -0.385 3.935) 4.005 4.412 ( -1.090 2.919 1.448) 3.436 4.539 ( 1.677 7.461 1.222) 7.745 4.722 ( 7.566 2.332 7.375) 10.820 5.028 ( 4.542 1.212 -1.649) 4.981 5.245 ( 5.837 10.886 -20.060) 23.558 5.540 ( -7.057 1.365 -2.673) 7.668 5.763 ( 8.569 1.836 -1.064) 8.827 6.169 ( -2.220 -2.671 0.826) 3.570 6.256 ( -0.832 -4.262 1.220) 4.511 6.403 ( 1.516 -2.731 3.497) 4.689 6.512 ( -0.445 -0.093 -2.690) 2.728 6.707 ( -7.197 1.620 0.667) 7.407 6.821 ( 2.159 6.196 0.762) 6.605 7.443 ( -2.818 -17.680 3.509) 18.243 7.922 ( 9.482 -9.057 -10.457) 16.771 8.648 ( -2.242 -9.284 6.752) 11.697 8.696 ( -6.529 -5.128 -4.304) 9.352 ======================= Grid point 289 (145/185) ======================= q-point: (-0.11 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.228 -1.382 10.108) 10.205 1.895 ( 2.144 3.362 1.035) 4.120 2.063 ( -0.911 -2.475 4.395) 5.125 2.294 ( -2.424 -3.858 12.757) 13.546 2.459 ( 2.996 -4.236 5.365) 7.464 2.657 ( -0.251 -3.355 -6.975) 7.744 2.829 ( -6.666 -3.179 -8.261) 11.081 3.119 ( -4.308 0.044 3.561) 5.589 3.192 ( -4.383 -3.748 -0.767) 5.818 3.734 ( -3.476 -5.358 -1.888) 6.660 3.867 ( -4.946 10.620 -9.716) 15.220 4.021 ( 6.262 2.988 0.125) 6.940 4.353 ( -0.812 3.589 -1.480) 3.967 4.414 ( -0.138 -0.259 2.287) 2.306 4.501 ( -0.554 7.213 5.308) 8.973 4.857 ( 7.169 6.849 7.256) 12.287 4.966 ( 2.421 8.512 -11.580) 14.574 5.285 ( 4.290 -4.598 -7.922) 10.114 5.416 ( -0.397 -1.573 -5.350) 5.590 5.837 ( 4.135 3.149 -3.346) 6.181 6.154 ( -2.145 -0.982 0.720) 2.467 6.257 ( -6.596 -5.688 3.265) 9.302 6.383 ( -4.537 2.551 -4.344) 6.780 6.493 ( 0.730 -0.781 -0.235) 1.095 6.586 ( -3.977 -3.919 -10.347) 11.758 6.782 ( -1.221 8.736 6.557) 10.991 7.669 ( 3.007 -18.031 6.065) 19.260 8.088 ( 9.449 -7.599 -11.835) 16.944 8.580 ( -10.623 -3.774 -2.264) 11.499 8.752 ( -1.360 -6.638 9.977) 12.061 ======================= Grid point 294 (146/185) ======================= q-point: (-0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 2.054 0.000 5.936) 6.281 1.996 ( -1.666 -0.000 -1.230) 2.070 2.311 ( -1.553 -0.000 2.591) 3.020 2.509 ( -4.355 -0.000 -3.696) 5.712 2.517 ( -1.353 -0.000 1.814) 2.263 2.720 ( -4.782 -0.000 -10.983) 11.979 2.767 ( 9.447 0.000 5.507) 10.935 2.789 ( 2.534 0.000 -2.650) 3.666 3.379 ( -8.111 -0.000 2.907) 8.616 3.468 ( 1.175 0.000 2.284) 2.569 3.893 ( -10.389 -0.000 4.506) 11.325 3.999 ( 20.007 0.000 -17.331) 26.470 4.277 ( 1.362 0.000 6.162) 6.311 4.529 ( 0.707 0.000 -2.905) 2.989 4.536 ( -5.197 -0.000 11.006) 12.171 4.751 ( -3.055 -0.000 2.427) 3.902 5.193 ( 2.743 0.000 15.949) 16.183 5.315 ( 1.102 0.000 4.657) 4.786 5.444 ( 9.514 0.000 2.083) 9.739 5.866 ( 1.148 0.000 -1.298) 1.733 5.928 ( 3.527 0.000 4.659) 5.844 6.100 ( -2.313 -0.000 -1.249) 2.629 6.202 ( 1.725 0.000 2.340) 2.907 6.495 ( 10.302 0.000 13.206) 16.749 6.506 ( 1.162 0.000 1.541) 1.930 6.933 ( 13.320 0.000 -9.148) 16.159 7.267 ( -6.133 -0.000 -1.832) 6.401 7.774 ( -5.718 -0.000 -23.687) 24.368 8.382 ( -5.291 -0.000 0.686) 5.335 9.006 ( -6.167 -0.000 -10.394) 12.086 ======================= Grid point 296 (147/185) ======================= q-point: (-0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 2.265 0.547 6.267) 6.686 1.961 ( -0.917 0.392 -3.018) 3.178 2.254 ( -6.328 16.199 -2.673) 17.595 2.307 ( -3.089 1.972 11.018) 11.612 2.492 ( -5.962 -2.342 -8.686) 10.792 2.589 ( -3.821 -2.353 2.243) 5.017 2.893 ( 7.773 2.493 3.999) 9.090 2.994 ( 4.879 -7.086 -1.421) 8.720 3.325 ( -4.495 -5.283 4.600) 8.323 3.500 ( -0.135 -3.918 1.726) 4.284 3.738 ( -9.142 -1.860 1.569) 9.460 4.174 ( 13.214 0.173 -15.999) 20.751 4.342 ( -0.050 -0.798 5.973) 6.026 4.491 ( -1.543 1.832 -1.045) 2.613 4.539 ( 0.482 -0.096 4.296) 4.324 4.741 ( 1.957 0.391 0.519) 2.062 5.204 ( 4.550 17.549 11.214) 21.318 5.488 ( 1.635 -9.702 8.465) 12.979 5.587 ( 8.934 3.272 -5.148) 10.818 5.790 ( -1.135 6.779 -4.721) 8.339 6.053 ( 2.196 -7.622 2.131) 8.214 6.094 ( 0.104 -2.015 1.097) 2.296 6.262 ( 1.889 -1.576 4.868) 5.455 6.513 ( -0.003 0.784 -0.616) 0.997 6.736 ( 13.026 6.588 12.611) 19.290 7.054 ( -10.904 0.708 0.418) 10.935 7.145 ( -1.595 -11.302 -10.165) 15.285 7.555 ( 0.616 -3.183 -21.258) 21.504 8.384 ( -0.309 -4.940 6.816) 8.424 8.820 ( -7.127 0.598 -11.790) 13.790 ======================= Grid point 297 (148/185) ======================= q-point: (-0.33 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.766 6.858 6.555) 9.517 1.901 ( -0.846 3.237 -0.452) 3.376 2.027 ( -4.565 4.476 0.855) 6.450 2.296 ( -5.330 3.557 18.219) 19.313 2.410 ( 3.500 3.920 -5.606) 7.684 2.577 ( -3.510 -5.896 -1.366) 6.996 2.952 ( -6.570 -6.217 -4.644) 10.168 3.024 ( 0.859 0.734 -1.536) 1.907 3.297 ( -7.135 -1.914 1.982) 7.648 3.602 ( -1.097 -9.955 3.206) 10.516 3.690 ( 1.774 -4.525 -0.958) 4.953 4.259 ( 7.335 2.814 -10.431) 13.058 4.344 ( -2.959 -0.985 4.680) 5.624 4.443 ( -1.782 0.171 -0.246) 1.807 4.615 ( 5.767 2.529 1.719) 6.528 4.826 ( 9.602 2.455 1.122) 9.974 5.186 ( 4.590 14.349 8.815) 17.455 5.506 ( 1.926 13.210 -14.589) 19.775 5.553 ( -5.158 0.289 -1.026) 5.267 5.789 ( 7.408 0.247 -2.004) 7.679 6.100 ( -1.741 -3.882 0.635) 4.302 6.169 ( 0.636 -4.634 0.140) 4.680 6.343 ( 1.371 -2.587 4.923) 5.728 6.498 ( -1.061 -0.921 -1.198) 1.846 6.706 ( -17.580 -0.216 -4.463) 18.139 6.986 ( 8.760 8.505 6.914) 14.032 7.097 ( -6.894 -15.803 -4.931) 17.933 7.689 ( 10.221 -13.133 -10.402) 19.625 8.511 ( 2.147 -4.659 11.186) 12.306 8.638 ( -6.478 -1.128 -9.716) 11.732 ======================= Grid point 298 (149/185) ======================= q-point: (-0.22 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -4.689 7.614 7.105) 11.420 1.942 ( 0.638 1.369 -0.231) 1.528 2.002 ( 1.205 -2.631 3.441) 4.496 2.303 ( -3.535 2.505 18.991) 19.479 2.448 ( 6.578 3.673 0.488) 7.549 2.573 ( -1.524 -4.911 -2.369) 5.662 2.802 ( -7.032 -1.675 -10.774) 12.974 3.000 ( -7.671 -10.168 -3.838) 13.302 3.173 ( -7.588 1.058 -0.841) 7.708 3.636 ( -2.054 -3.297 2.093) 4.412 3.843 ( 5.267 -8.254 -1.652) 9.930 4.204 ( 1.367 11.073 -6.430) 12.877 4.368 ( 0.631 -2.765 0.822) 2.953 4.413 ( -0.821 1.823 -1.200) 2.331 4.646 ( 0.977 6.790 2.742) 7.388 5.011 ( 10.445 2.697 6.162) 12.423 5.164 ( 4.285 14.116 1.619) 14.841 5.309 ( 4.139 7.704 -19.196) 21.094 5.417 ( -6.432 2.403 -2.301) 7.242 5.885 ( 4.455 1.477 -2.373) 5.259 6.107 ( -2.115 -4.035 -0.260) 4.563 6.161 ( -6.685 -3.456 3.529) 8.312 6.379 ( -4.295 -2.773 -2.823) 5.840 6.458 ( -2.464 -2.159 0.818) 3.377 6.509 ( -2.878 -3.374 -9.391) 10.386 6.889 ( -9.054 -3.323 -0.693) 9.669 7.341 ( 9.175 -9.833 8.523) 15.922 7.897 ( 7.580 -11.431 -11.856) 18.129 8.505 ( -6.722 -3.188 -4.066) 8.478 8.667 ( 2.835 -2.311 12.898) 13.407 ======================= Grid point 299 (150/185) ======================= q-point: (-0.11 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -1.653 -1.820 5.606) 6.121 1.891 ( -5.042 -2.175 0.857) 5.557 2.095 ( 5.063 0.686 1.336) 5.281 2.351 ( -1.426 0.315 16.899) 16.962 2.475 ( -0.418 3.283 -2.552) 4.179 2.627 ( 2.409 -4.876 -5.858) 7.994 2.727 ( 3.261 -2.262 -0.742) 4.037 2.949 ( -9.287 -16.463 -5.886) 19.797 3.040 ( -4.410 1.901 -1.773) 5.119 3.640 ( -1.143 -2.148 0.155) 2.438 3.835 ( -4.833 10.914 -9.733) 15.402 4.147 ( 6.826 1.281 -1.709) 7.152 4.363 ( -0.907 3.164 -1.539) 3.634 4.414 ( 1.609 -1.298 1.313) 2.449 4.566 ( -3.850 7.226 4.648) 9.415 5.021 ( 0.034 7.347 -9.814) 12.259 5.154 ( 2.797 14.173 6.984) 16.046 5.208 ( 0.653 0.583 -4.620) 4.702 5.441 ( 8.073 -3.921 -2.507) 9.319 5.850 ( -3.989 1.683 -3.593) 5.627 6.074 ( -6.438 -5.221 0.442) 8.301 6.131 ( -1.922 -0.460 2.439) 3.139 6.280 ( -5.212 -0.670 -4.284) 6.779 6.438 ( -1.274 -2.848 -11.362) 11.783 6.484 ( -0.197 -2.413 -0.140) 2.425 6.802 ( -3.906 -0.956 -0.157) 4.024 7.621 ( 4.946 -11.959 8.086) 15.260 8.042 ( 6.015 -10.976 -13.384) 18.324 8.392 ( -7.273 -0.879 -2.041) 7.605 8.813 ( 3.485 -0.938 13.343) 13.823 ======================= Grid point 305 (151/185) ======================= q-point: ( 0.56 -0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 3.564 0.000 6.347) 7.279 1.927 ( -0.475 -0.000 -5.023) 5.045 2.206 ( -7.780 -0.000 -3.772) 8.646 2.337 ( -5.776 -0.000 18.162) 19.058 2.415 ( 3.530 0.000 -2.104) 4.109 2.516 ( -4.954 -0.000 3.381) 5.998 2.855 ( -8.966 -0.000 -6.082) 10.834 3.033 ( 1.493 0.000 -5.106) 5.320 3.277 ( -4.163 -0.000 4.559) 6.173 3.483 ( 2.031 0.000 1.790) 2.707 3.651 ( -1.124 -0.000 2.038) 2.328 4.254 ( 5.739 0.000 -8.052) 9.888 4.376 ( 2.126 0.000 3.125) 3.780 4.432 ( -3.357 -0.000 -1.905) 3.860 4.642 ( 6.989 0.000 1.735) 7.201 4.842 ( 9.122 0.000 -0.034) 9.122 5.377 ( -1.869 -0.000 2.063) 2.784 5.543 ( 3.732 0.000 12.616) 13.157 5.702 ( 8.352 0.000 -11.246) 14.008 5.747 ( -2.633 -0.000 -7.140) 7.610 6.063 ( 1.747 0.000 2.236) 2.838 6.098 ( 0.996 0.000 -0.701) 1.219 6.317 ( 1.216 0.000 5.766) 5.893 6.488 ( -3.066 -0.000 -0.983) 3.220 6.716 ( -22.147 -0.000 1.672) 22.210 6.903 ( -12.028 -0.000 -19.287) 22.730 7.103 ( 14.950 0.000 9.520) 17.724 7.522 ( 9.568 0.000 -9.747) 13.658 8.465 ( 4.360 0.000 13.294) 13.991 8.631 ( -6.633 -0.000 -12.573) 14.216 ======================= Grid point 307 (152/185) ======================= q-point: (-0.33 0.56 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -3.502 3.197 -5.161) 7.008 1.970 ( 4.271 -0.803 4.953) 6.590 2.026 ( -4.584 9.822 2.803) 11.196 2.355 ( -3.579 2.398 17.866) 18.378 2.476 ( -2.141 -5.847 0.151) 6.228 2.488 ( -1.508 -4.263 4.559) 6.421 2.694 ( -5.029 -2.208 -6.800) 8.741 2.909 ( -8.222 -0.255 -10.903) 13.658 3.196 ( -5.741 0.974 -0.307) 5.831 3.598 ( 4.431 -1.392 3.645) 5.904 3.687 ( 3.274 -5.163 -1.377) 6.267 4.306 ( 3.671 -1.046 -2.642) 4.643 4.364 ( -1.166 3.017 0.557) 3.282 4.441 ( 2.455 0.942 0.896) 2.778 4.746 ( 5.546 2.944 -0.654) 6.313 5.029 ( 12.220 0.583 0.371) 12.240 5.310 ( -4.162 0.767 -1.570) 4.514 5.541 ( -2.436 7.457 -8.850) 11.826 5.570 ( 0.395 15.120 -4.916) 15.904 5.851 ( 5.933 -6.032 -3.676) 9.225 6.065 ( -0.847 1.204 0.049) 1.473 6.109 ( -4.050 -1.590 0.014) 4.351 6.314 ( -8.095 -2.984 0.507) 8.642 6.409 ( -6.090 -3.157 3.493) 7.698 6.460 ( -4.636 -1.530 0.040) 4.882 6.642 ( -11.822 -12.318 -16.100) 23.467 7.362 ( 12.822 5.812 8.906) 16.659 7.682 ( 7.641 -8.757 -6.237) 13.189 8.467 ( -5.248 -0.841 -8.941) 10.401 8.643 ( 5.402 -0.497 15.052) 15.999 ======================= Grid point 308 (153/185) ======================= q-point: (-0.22 -0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -5.941 5.532 2.397) 8.464 1.879 ( -7.421 1.627 -0.114) 7.598 2.099 ( 5.761 -0.843 2.482) 6.329 2.369 ( -5.083 0.842 13.507) 14.457 2.505 ( -0.607 -3.909 5.537) 6.805 2.531 ( -6.006 -14.392 -3.327) 15.946 2.648 ( 1.848 5.342 -7.696) 9.549 2.765 ( 1.815 -0.476 -1.788) 2.592 3.084 ( -3.895 2.369 -2.568) 5.233 3.629 ( 0.432 0.791 0.002) 0.902 3.843 ( 4.758 -6.631 -1.500) 8.298 4.288 ( 1.511 7.355 -5.970) 9.592 4.384 ( 1.045 -1.291 3.249) 3.648 4.440 ( 1.483 4.993 -0.122) 5.210 4.713 ( -2.312 8.315 -1.435) 8.749 5.099 ( -4.302 2.254 -4.260) 6.461 5.273 ( -0.442 -1.323 -14.968) 15.033 5.363 ( 5.198 7.572 -0.330) 9.191 5.467 ( 4.083 10.240 3.098) 11.451 5.860 ( -6.403 -0.776 -3.874) 7.524 6.025 ( -2.627 1.058 0.470) 2.871 6.090 ( -0.583 -3.595 4.013) 5.419 6.223 ( -4.102 -4.423 -3.643) 7.047 6.385 ( -2.601 -1.810 -13.034) 13.413 6.441 ( -0.032 -3.144 3.746) 4.891 6.593 ( -5.755 -17.224 -2.658) 18.354 7.540 ( 8.272 3.006 7.538) 11.588 7.836 ( 5.621 -9.627 -9.187) 14.445 8.365 ( -4.703 -1.435 -2.615) 5.569 8.817 ( 4.876 0.749 14.139) 14.974 ======================= Grid point 309 (154/185) ======================= q-point: (-0.11 -0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -1.748 -2.389 5.828) 6.537 1.741 ( -9.565 -3.383 3.278) 10.662 2.178 ( -1.146 -3.843 0.098) 4.012 2.323 ( -6.646 -3.497 3.639) 8.345 2.535 ( -4.190 -8.773 -2.486) 10.035 2.605 ( 7.669 6.528 -0.149) 10.073 2.618 ( 6.116 -1.747 -1.594) 6.557 2.858 ( 2.818 -1.167 -2.294) 3.817 3.048 ( 4.217 1.267 3.838) 5.841 3.641 ( 1.867 0.715 0.125) 2.003 3.799 ( -4.770 10.283 -9.871) 15.031 4.240 ( 4.320 1.874 -5.932) 7.574 4.370 ( -0.547 2.663 -1.064) 2.919 4.462 ( 1.196 2.804 3.204) 4.423 4.571 ( -4.850 4.392 3.766) 7.550 4.932 ( -7.112 0.568 -6.761) 9.829 5.134 ( -3.753 2.088 -8.899) 9.881 5.408 ( 5.104 7.756 3.257) 9.840 5.557 ( 4.143 0.466 6.200) 7.471 5.713 ( -7.073 0.376 -3.952) 8.111 5.964 ( -3.249 -1.335 -4.225) 5.494 6.124 ( -1.066 2.109 -4.758) 5.312 6.177 ( -0.622 -3.452 2.816) 4.498 6.354 ( 1.624 -4.130 -5.099) 6.760 6.469 ( 0.036 0.437 0.300) 0.531 6.672 ( -0.093 -11.877 -5.397) 13.046 7.686 ( 3.690 -1.873 8.732) 9.662 7.957 ( 4.130 -8.874 -8.505) 12.967 8.292 ( -2.734 -0.381 -2.288) 3.585 8.955 ( 3.630 0.946 10.992) 11.614 ======================= Grid point 316 (155/185) ======================= q-point: (-0.33 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -3.938 -0.000 -5.625) 6.866 2.007 ( -9.007 -0.000 2.171) 9.265 2.015 ( -4.183 -0.000 1.064) 4.316 2.273 ( -5.818 -0.000 2.038) 6.164 2.435 ( -3.654 -0.000 7.233) 8.103 2.450 ( 1.910 0.000 13.301) 13.438 2.734 ( -2.594 -0.000 -9.168) 9.528 2.766 ( 7.702 0.000 -0.160) 7.704 3.115 ( -3.246 -0.000 -1.941) 3.782 3.657 ( 0.664 0.000 -3.105) 3.175 3.737 ( 7.640 0.000 1.535) 7.793 4.355 ( -0.507 -0.000 -0.782) 0.932 4.358 ( 2.806 0.000 1.445) 3.156 4.506 ( 1.591 0.000 2.622) 3.068 4.831 ( 3.691 0.000 -5.725) 6.812 5.160 ( -8.909 -0.000 -5.704) 10.578 5.186 ( 2.689 0.000 -8.864) 9.263 5.473 ( 0.044 0.000 -5.306) 5.307 5.615 ( -0.901 -0.000 -3.696) 3.804 5.842 ( -2.875 -0.000 -6.302) 6.927 6.038 ( 0.618 0.000 7.727) 7.752 6.083 ( 0.590 0.000 -7.377) 7.401 6.204 ( -10.974 -0.000 3.527) 11.527 6.228 ( -0.992 -0.000 4.619) 4.724 6.372 ( -3.674 -0.000 -16.123) 16.536 6.464 ( 0.686 0.000 3.284) 3.355 7.628 ( 9.231 0.000 6.502) 11.291 7.695 ( 4.596 0.000 -7.396) 8.707 8.349 ( -3.777 -0.000 -3.544) 5.179 8.826 ( 5.396 0.000 14.598) 15.564 ======================= Grid point 317 (156/185) ======================= q-point: (-0.22 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -4.794 4.342 1.723) 6.693 1.740 ( -11.843 3.168 1.327) 12.331 1.954 ( -14.965 -14.843 0.528) 21.084 2.299 ( 3.098 0.138 1.300) 3.363 2.441 ( -2.387 -1.417 8.758) 9.188 2.600 ( 8.381 -0.376 6.104) 10.375 2.728 ( 6.728 3.623 -0.720) 7.675 2.855 ( 4.414 0.310 -6.519) 7.879 3.095 ( 2.615 2.340 3.681) 5.085 3.664 ( 3.782 1.487 -1.991) 4.525 3.852 ( 2.314 -2.090 -2.427) 3.951 4.329 ( 0.332 3.992 -2.464) 4.703 4.392 ( -0.843 -0.498 1.178) 1.531 4.532 ( 2.312 2.165 3.936) 5.052 4.724 ( -3.775 11.891 -10.306) 16.182 4.945 ( -10.168 1.197 -6.258) 11.999 5.058 ( -8.054 -8.823 -13.168) 17.780 5.533 ( 4.028 4.039 2.022) 6.052 5.603 ( 2.902 2.655 2.409) 4.612 5.725 ( -3.599 0.549 -6.471) 7.425 5.978 ( -5.502 2.036 -6.669) 8.882 6.118 ( 1.369 -0.517 3.689) 3.969 6.164 ( 2.390 0.865 1.234) 2.825 6.255 ( 0.781 -4.050 -6.670) 7.843 6.365 ( 2.620 -13.121 0.686) 13.398 6.493 ( 0.642 -0.012 1.739) 1.853 7.705 ( 4.650 2.016 -0.991) 5.164 7.815 ( 5.721 -4.650 -1.176) 7.466 8.285 ( -3.579 -0.277 0.879) 3.696 8.978 ( 3.661 0.875 11.410) 12.015 ======================= Grid point 318 (157/185) ======================= q-point: (-0.11 -0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -9.701 -3.912 12.018) 15.933 1.649 ( -0.526 -1.382 3.809) 4.086 1.856 ( -13.871 -14.644 3.140) 20.413 2.338 ( 1.872 2.299 1.068) 3.151 2.467 ( -3.264 -2.803 8.486) 9.514 2.757 ( 5.392 0.987 -1.226) 5.617 2.828 ( 7.067 7.155 1.642) 10.189 2.905 ( 15.155 0.248 -8.976) 17.615 3.178 ( 4.683 1.149 4.588) 6.656 3.700 ( -1.040 7.737 -4.501) 9.011 3.780 ( 1.683 3.904 -4.687) 6.327 4.248 ( -1.851 3.566 -5.974) 7.199 4.384 ( 0.057 1.093 0.893) 1.413 4.476 ( -6.708 8.133 -4.318) 11.392 4.594 ( 0.282 1.142 5.864) 5.981 4.774 ( -4.188 -3.663 -5.087) 7.539 4.966 ( -5.141 -7.567 -9.504) 13.191 5.464 ( -6.582 4.380 0.939) 7.962 5.622 ( -1.719 4.764 -2.474) 5.637 5.695 ( 4.136 0.678 2.155) 4.713 5.849 ( -3.428 -2.110 -7.031) 8.102 6.085 ( -1.565 3.239 0.899) 3.708 6.243 ( 4.421 -1.509 1.775) 4.998 6.342 ( 2.961 -3.349 -0.475) 4.495 6.502 ( 0.474 1.552 0.538) 1.710 6.582 ( 9.641 -10.931 -3.271) 14.937 7.781 ( 1.640 0.740 8.274) 8.467 7.927 ( 4.169 -3.678 -2.222) 5.987 8.255 ( 0.983 -1.746 -2.233) 3.000 9.063 ( 1.356 1.402 6.716) 6.994 ======================= Grid point 326 (158/185) ======================= q-point: (-0.22 -0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -13.222 -0.000 9.159) 16.084 1.638 ( -13.769 -0.000 10.568) 17.357 1.671 ( 0.631 0.000 1.049) 1.225 2.369 ( 2.612 0.000 1.774) 3.157 2.433 ( -5.199 -0.000 12.212) 13.273 2.769 ( 4.341 0.000 -2.489) 5.004 2.900 ( 14.269 0.000 -11.308) 18.206 2.910 ( 9.962 0.000 4.955) 11.126 3.198 ( 3.682 0.000 5.208) 6.378 3.764 ( 7.373 0.000 -0.498) 7.390 3.821 ( -2.680 -0.000 -6.010) 6.580 4.333 ( -6.230 -0.000 1.263) 6.357 4.377 ( 2.861 0.000 0.877) 2.993 4.593 ( 0.455 0.000 4.094) 4.119 4.652 ( -6.468 -0.000 -12.027) 13.655 4.691 ( -11.407 -0.000 -13.037) 17.323 4.844 ( -1.045 -0.000 -7.634) 7.705 5.515 ( -5.880 -0.000 -2.898) 6.555 5.679 ( -0.519 -0.000 -5.998) 6.020 5.692 ( 3.152 0.000 3.894) 5.010 5.827 ( -4.984 -0.000 -7.320) 8.856 6.145 ( -1.932 -0.000 2.143) 2.885 6.241 ( 2.478 0.000 3.629) 4.395 6.273 ( 6.149 0.000 0.686) 6.187 6.428 ( 10.525 0.000 -2.512) 10.820 6.536 ( 3.462 0.000 3.951) 5.253 7.762 ( 4.875 0.000 -1.159) 5.011 7.913 ( 4.721 0.000 5.153) 6.989 8.239 ( -2.206 -0.000 0.844) 2.362 9.081 ( 1.412 0.000 7.004) 7.145 ======================= Grid point 327 (159/185) ======================= q-point: (-0.11 -0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -6.302 -2.502 14.212) 15.747 1.539 ( -11.024 -4.662 15.592) 19.656 1.749 ( 3.849 -2.934 8.126) 9.458 2.379 ( -2.797 2.715 6.484) 7.565 2.441 ( -3.839 -3.493 12.793) 13.806 2.747 ( 0.923 0.574 -9.724) 9.785 3.063 ( 8.116 5.192 2.592) 9.977 3.174 ( 19.687 -0.788 -8.012) 21.270 3.274 ( 4.076 0.974 1.818) 4.568 3.681 ( -3.447 7.532 -7.468) 11.153 3.853 ( 2.693 2.106 -2.608) 4.300 4.169 ( -10.073 1.737 0.153) 10.222 4.393 ( -4.454 7.008 -6.423) 10.498 4.438 ( -0.056 2.842 -0.648) 2.916 4.537 ( -2.028 -2.392 -3.250) 4.516 4.674 ( -1.365 -12.453 -0.430) 12.535 4.822 ( 3.041 -0.431 -9.873) 10.340 5.372 ( -6.651 1.996 -4.164) 8.097 5.567 ( -5.410 4.947 -5.343) 9.071 5.715 ( -1.622 -5.170 0.040) 5.419 5.834 ( 4.481 0.747 3.001) 5.445 6.127 ( 1.109 1.854 2.043) 2.973 6.287 ( 1.158 0.036 2.325) 2.598 6.391 ( 4.320 0.255 1.774) 4.677 6.502 ( 0.666 -1.054 -1.182) 1.718 6.731 ( 13.681 -3.107 -1.093) 14.072 7.850 ( -0.960 0.828 10.916) 10.990 7.996 ( 2.860 1.809 4.324) 5.491 8.278 ( 8.309 -3.779 -2.933) 9.587 9.113 ( 0.047 1.358 2.489) 2.836 ======================= Grid point 336 (160/185) ======================= q-point: (-0.11 -0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -3.296 -0.000 14.734) 15.098 1.492 ( -5.792 -0.000 20.315) 21.124 1.875 ( 4.636 0.000 11.770) 12.650 2.410 ( -6.670 -0.000 26.471) 27.299 2.415 ( -1.181 -0.000 3.397) 3.597 2.715 ( 2.542 0.000 -11.971) 12.238 3.141 ( -1.201 -0.000 -3.468) 3.670 3.325 ( 2.227 0.000 1.203) 2.531 3.469 ( 19.255 0.000 -10.437) 21.902 3.669 ( 0.435 0.000 -3.267) 3.295 3.847 ( -2.194 -0.000 -5.356) 5.788 3.942 ( -15.645 -0.000 1.102) 15.684 4.335 ( -2.758 -0.000 -4.433) 5.221 4.358 ( -3.019 -0.000 -4.792) 5.664 4.516 ( -6.688 -0.000 0.116) 6.689 4.700 ( 16.086 0.000 -3.649) 16.494 4.835 ( 4.497 0.000 -6.701) 8.070 5.236 ( -6.531 -0.000 -6.127) 8.955 5.480 ( -5.554 -0.000 -2.842) 6.239 5.672 ( 0.356 0.000 0.395) 0.532 5.944 ( 4.602 0.000 6.998) 8.375 6.201 ( 4.901 0.000 3.860) 6.239 6.309 ( -0.250 -0.000 1.931) 1.947 6.463 ( 2.158 0.000 -0.245) 2.172 6.486 ( -0.933 -0.000 -1.126) 1.462 6.913 ( 11.020 0.000 -4.342) 11.844 7.874 ( -4.931 -0.000 10.940) 11.999 8.049 ( -1.688 -0.000 4.831) 5.118 8.481 ( 17.897 0.000 1.519) 17.961 9.133 ( 0.755 0.000 -0.202) 0.781 ======================= Grid point 337 (161/185) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -0.849 -0.000 -2.560) 2.697 1.730 ( 0.849 0.000 2.560) 2.697 2.359 ( 2.584 0.000 -15.319) 15.535 2.359 ( -2.584 -0.000 15.319) 15.535 2.735 ( -1.978 -0.000 -13.671) 13.814 2.735 ( 1.978 0.000 13.671) 13.814 3.156 ( -3.115 -0.000 -9.799) 10.282 3.156 ( 3.115 0.000 9.799) 10.282 3.524 ( -0.243 -0.000 -3.585) 3.593 3.524 ( 0.243 0.000 3.585) 3.593 3.727 ( 14.694 0.000 -12.589) 19.350 3.727 ( -14.694 -0.000 12.589) 19.350 4.281 ( 4.232 0.000 -2.712) 5.026 4.281 ( -4.232 -0.000 2.712) 5.026 4.449 ( 2.821 0.000 -13.927) 14.210 4.449 ( -2.821 -0.000 13.927) 14.210 5.159 ( -11.477 -0.000 1.545) 11.580 5.159 ( 11.477 0.000 -1.545) 11.580 5.536 ( -6.000 -0.000 -4.242) 7.348 5.536 ( 6.000 0.000 4.242) 7.348 6.273 ( -1.592 -0.000 -2.388) 2.870 6.273 ( 1.592 0.000 2.388) 2.870 6.376 ( -3.839 -0.000 0.759) 3.914 6.376 ( 3.839 0.000 -0.759) 3.914 6.750 ( -3.830 -0.000 -11.321) 11.952 6.750 ( 3.830 0.000 11.321) 11.952 7.972 ( -2.365 -0.000 -1.603) 2.857 7.972 ( 2.365 0.000 1.603) 2.857 9.045 ( -5.043 -0.000 -3.240) 5.994 9.045 ( 5.043 0.000 3.240) 5.994 ======================= Grid point 339 (162/185) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.271 -0.303 -4.955) 4.972 1.761 ( 3.078 0.492 -2.835) 4.213 2.290 ( 0.623 0.646 -14.544) 14.571 2.383 ( -4.074 2.179 15.612) 16.281 2.606 ( -0.042 4.632 -13.814) 14.570 2.833 ( 3.546 4.221 11.539) 12.788 3.029 ( -3.229 1.648 -10.461) 11.071 3.250 ( 1.965 0.178 7.346) 7.606 3.484 ( -16.238 -0.796 9.913) 19.042 3.498 ( -2.479 1.029 -0.602) 2.751 3.692 ( 1.428 -11.106 8.814) 14.250 3.855 ( 8.795 1.199 -6.942) 11.268 4.260 ( -0.932 -0.998 0.892) 1.631 4.386 ( 5.607 -3.140 2.004) 6.732 4.434 ( 5.276 -1.630 -14.829) 15.824 4.509 ( -2.778 -2.700 16.005) 16.467 4.947 ( -9.069 4.177 -2.767) 10.361 5.290 ( 8.469 2.335 -8.000) 11.882 5.405 ( -4.339 2.383 -3.340) 5.972 5.646 ( 3.052 -3.164 2.299) 4.961 6.227 ( -2.455 -1.261 -4.995) 5.707 6.282 ( -2.511 1.796 0.527) 3.131 6.351 ( -0.533 -3.379 1.003) 3.564 6.434 ( 2.109 -1.316 0.872) 2.634 6.598 ( -4.988 1.052 -9.940) 11.171 6.834 ( -1.553 0.033 9.834) 9.956 7.950 ( 3.015 3.213 -3.256) 5.478 8.042 ( 6.381 2.953 -0.282) 7.037 8.855 ( -13.231 2.177 -3.675) 13.903 9.071 ( -0.953 3.893 3.536) 5.345 ======================= Grid point 340 (163/185) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.333 -0.442 -5.322) 5.351 1.797 ( 5.972 -0.390 -8.400) 10.314 2.209 ( -0.607 -1.517 -13.036) 13.138 2.372 ( -4.890 3.827 14.713) 15.970 2.505 ( 2.119 3.941 -10.731) 11.626 2.862 ( -0.787 3.443 -4.015) 5.347 2.958 ( 1.751 5.354 9.148) 10.743 3.227 ( -16.786 -1.584 12.960) 21.266 3.298 ( -3.020 4.580 0.758) 5.538 3.444 ( -2.186 0.074 -3.343) 3.995 3.767 ( -1.630 2.045 -1.483) 3.006 4.022 ( 8.799 -6.046 3.693) 11.297 4.268 ( 0.636 -0.851 -0.335) 1.114 4.422 ( 1.950 -1.054 -6.600) 6.962 4.527 ( -5.919 0.020 7.252) 9.361 4.579 ( 8.345 -5.986 -1.369) 10.361 4.865 ( -1.466 -7.355 3.945) 8.473 5.260 ( -2.067 -0.161 -5.690) 6.056 5.385 ( 8.720 8.312 -3.783) 12.627 5.729 ( 0.737 -4.978 1.076) 5.146 6.141 ( -5.187 -2.524 -9.295) 10.940 6.204 ( -4.466 1.447 0.551) 4.727 6.353 ( -0.990 0.843 -2.323) 2.662 6.455 ( -2.111 0.994 -1.541) 2.797 6.498 ( -0.322 -0.419 -1.877) 1.950 6.829 ( -6.023 -2.772 6.923) 9.586 7.956 ( 6.024 6.871 -4.859) 10.350 8.076 ( 4.166 8.128 -4.029) 9.983 8.566 ( -16.356 -1.275 -2.455) 16.588 9.029 ( -0.470 4.874 5.202) 7.144 ======================= Grid point 341 (164/185) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( -0.948 -0.237 -4.175) 4.288 1.898 ( 9.174 -5.029 -7.652) 12.962 2.160 ( 0.161 -5.637 -11.528) 12.833 2.305 ( -5.279 6.461 8.653) 12.020 2.466 ( 1.946 2.369 -5.574) 6.361 2.789 ( -4.301 2.618 6.448) 8.181 2.931 ( -5.396 7.281 1.245) 9.148 3.056 ( -10.231 2.294 1.343) 10.571 3.168 ( -1.632 6.739 3.884) 7.948 3.395 ( -1.679 -0.799 -3.225) 3.723 3.703 ( -0.220 3.988 1.532) 4.277 4.174 ( 1.651 -2.043 -0.982) 2.804 4.301 ( 3.369 2.926 0.836) 4.540 4.431 ( 2.550 -0.072 -4.030) 4.769 4.511 ( -0.443 -4.944 4.263) 6.543 4.755 ( 4.028 -6.621 2.051) 8.017 4.937 ( -4.057 -10.658 -1.827) 11.549 5.276 ( 5.277 1.224 3.948) 6.703 5.446 ( 9.184 4.581 -3.562) 10.863 5.770 ( -2.198 -3.622 1.684) 4.559 5.996 ( -7.080 -1.521 -10.768) 12.976 6.119 ( -3.353 1.898 -1.073) 3.999 6.316 ( -0.715 0.234 0.825) 1.116 6.388 ( -1.629 2.754 -0.638) 3.262 6.476 ( -1.929 0.894 -1.127) 2.407 6.772 ( -8.228 -4.042 1.844) 9.351 7.945 ( 2.831 7.000 -1.908) 7.788 7.982 ( 1.959 9.906 -8.118) 12.957 8.356 ( -10.744 -4.189 -0.099) 11.532 9.045 ( 2.489 2.594 5.269) 6.379 ======================= Grid point 342 (165/185) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -0.506 -0.071 -1.548) 1.631 2.070 ( 6.851 -7.268 -7.915) 12.744 2.188 ( -4.738 9.369 10.239) 14.665 2.250 ( 6.473 -13.954 -5.782) 16.433 2.442 ( 0.774 2.056 -3.459) 4.097 2.636 ( -11.155 14.616 -2.880) 18.610 2.740 ( -4.694 0.947 7.663) 9.036 2.925 ( -1.195 -0.178 -3.619) 3.815 3.178 ( 0.857 1.354 3.513) 3.861 3.367 ( -0.611 -0.398 -1.383) 1.563 3.705 ( 1.486 2.072 2.586) 3.632 4.159 ( -1.803 -1.143 -2.499) 3.287 4.306 ( 0.674 1.935 0.394) 2.086 4.447 ( 0.921 -0.329 -1.637) 1.907 4.623 ( 3.975 -1.497 3.427) 5.458 4.819 ( -2.290 -3.024 -0.621) 3.844 4.962 ( -0.140 -4.146 -0.676) 4.203 5.387 ( 4.462 0.315 2.552) 5.150 5.562 ( 7.791 0.076 -1.274) 7.895 5.747 ( -3.829 -0.620 4.671) 6.072 5.821 ( -6.438 0.347 -9.003) 11.073 6.056 ( -0.972 1.352 -1.081) 1.985 6.344 ( -0.151 -1.125 2.544) 2.786 6.365 ( 1.288 -0.925 0.424) 1.641 6.418 ( -2.059 2.134 0.089) 2.967 6.666 ( -5.238 -0.671 -2.392) 5.797 7.891 ( -1.292 2.446 1.146) 2.994 7.924 ( 2.684 3.880 -4.953) 6.841 8.272 ( -3.250 -1.581 0.233) 3.621 9.092 ( 1.485 0.694 2.121) 2.681 ======================= Grid point 348 (166/185) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.057 0.000 -5.864) 5.864 1.800 ( 5.145 0.000 -8.583) 10.007 2.186 ( -1.853 -0.000 -16.457) 16.561 2.413 ( -5.287 -0.000 17.418) 18.202 2.561 ( 0.943 0.000 -10.934) 10.975 2.871 ( -0.915 -0.000 -16.062) 16.088 3.013 ( 3.825 0.000 7.863) 8.744 3.202 ( -17.244 -0.000 12.566) 21.336 3.340 ( -1.835 -0.000 2.797) 3.345 3.583 ( 1.574 0.000 5.393) 5.618 3.694 ( 2.770 0.000 9.829) 10.212 3.944 ( 5.399 0.000 -2.059) 5.778 4.258 ( -0.519 -0.000 2.400) 2.456 4.404 ( 0.808 0.000 -2.528) 2.654 4.516 ( 9.977 0.000 -5.630) 11.456 4.526 ( -4.296 -0.000 10.976) 11.786 4.815 ( -5.472 -0.000 -3.385) 6.434 5.251 ( 0.452 0.000 -6.327) 6.343 5.497 ( 7.356 0.000 -3.852) 8.304 5.654 ( -0.004 -0.000 1.074) 1.074 6.109 ( -5.341 -0.000 -8.241) 9.820 6.241 ( -5.678 -0.000 0.348) 5.689 6.328 ( 0.375 0.000 0.317) 0.491 6.457 ( 0.003 0.000 1.426) 1.426 6.501 ( -1.741 -0.000 -5.136) 5.423 6.811 ( -6.330 -0.000 6.007) 8.727 8.028 ( 5.953 0.000 -4.322) 7.356 8.153 ( 5.715 0.000 -4.993) 7.589 8.550 ( -19.372 -0.000 -4.799) 19.958 9.083 ( -1.697 -0.000 4.546) 4.853 ======================= Grid point 349 (167/185) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -0.509 -0.032 -4.387) 4.416 1.840 ( 7.208 -1.116 -12.057) 14.092 2.058 ( -2.235 -3.332 -17.475) 17.929 2.404 ( -4.889 2.750 11.088) 12.427 2.527 ( 1.532 2.797 -1.831) 3.677 2.780 ( -0.821 -2.455 -12.137) 12.410 2.979 ( -12.753 0.756 5.700) 13.989 3.099 ( -0.575 1.217 4.490) 4.687 3.306 ( -1.870 3.819 -1.234) 4.428 3.545 ( 0.847 12.001 6.025) 13.455 3.779 ( 0.329 2.969 3.714) 4.767 4.085 ( 3.486 -5.308 4.756) 7.934 4.300 ( 2.958 -4.980 7.520) 9.492 4.403 ( -1.167 0.027 0.468) 1.258 4.478 ( -3.821 -0.088 1.620) 4.151 4.659 ( 7.919 -2.705 -1.605) 8.521 4.765 ( -1.945 -4.159 -2.349) 5.157 5.297 ( 5.877 0.462 2.551) 6.424 5.548 ( 5.444 4.880 -3.347) 8.041 5.687 ( -0.347 -4.266 1.701) 4.606 5.964 ( -6.509 -1.179 -8.523) 10.789 6.142 ( -4.346 0.862 0.036) 4.431 6.327 ( -0.870 -0.134 -1.190) 1.480 6.428 ( -3.420 1.617 0.792) 3.865 6.463 ( -2.502 -1.515 -0.491) 2.966 6.721 ( -6.389 -0.815 0.523) 6.462 8.002 ( -9.252 0.011 -4.584) 10.325 8.139 ( 1.240 4.946 -9.820) 11.065 8.302 ( -3.109 -1.253 -3.531) 4.868 9.096 ( 1.284 1.805 4.347) 4.879 ======================= Grid point 350 (168/185) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -0.345 0.168 -1.103) 1.167 1.938 ( 6.933 -5.314 -11.871) 14.738 2.014 ( 4.023 -8.929 -12.833) 16.143 2.330 ( -4.472 5.006 4.710) 8.200 2.519 ( 1.904 5.168 0.730) 5.555 2.740 ( -2.708 -1.544 1.742) 3.571 2.839 ( -4.534 -0.576 -6.363) 7.834 2.953 ( -8.347 8.357 -7.035) 13.748 3.232 ( -0.650 3.912 -0.350) 3.981 3.516 ( 4.259 12.479 9.926) 16.504 3.747 ( -2.802 2.491 1.918) 4.211 4.117 ( -1.901 -1.116 2.363) 3.232 4.352 ( -3.358 1.985 3.095) 4.979 4.461 ( 1.942 0.707 0.520) 2.131 4.565 ( 7.082 -6.498 11.105) 14.686 4.746 ( -1.955 -4.971 -3.035) 6.144 4.823 ( 5.293 -5.604 0.854) 7.755 5.422 ( 5.993 2.103 4.731) 7.920 5.583 ( 4.111 1.742 -0.801) 4.536 5.717 ( -1.880 -2.056 5.370) 6.050 5.815 ( -6.120 -0.644 -8.195) 10.248 6.092 ( -1.432 1.426 1.140) 2.321 6.292 ( -1.961 -0.664 -1.617) 2.627 6.364 ( -2.262 -0.653 -1.527) 2.806 6.428 ( -3.649 -2.238 3.610) 5.600 6.629 ( -4.078 -1.063 -4.653) 6.278 7.809 ( -13.494 -8.022 1.870) 15.810 8.021 ( -0.975 5.515 -11.163) 12.489 8.318 ( 6.293 3.689 -4.946) 8.813 9.125 ( 1.707 2.105 1.054) 2.908 ======================= Grid point 351 (169/185) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.600 0.262 1.991) 2.096 2.000 ( 5.041 -7.895 -14.155) 16.973 2.167 ( -2.064 -0.973 1.224) 2.590 2.307 ( 7.668 -5.530 4.502) 10.471 2.495 ( 1.135 4.142 -0.456) 4.319 2.585 ( -9.009 11.797 -2.641) 15.077 2.743 ( 3.472 1.122 -6.424) 7.388 2.867 ( 1.872 -4.415 -4.018) 6.256 3.171 ( -2.212 0.759 -6.003) 6.442 3.538 ( 5.396 13.680 12.256) 19.143 3.668 ( -4.754 -1.053 -0.952) 4.961 4.122 ( -3.173 -3.460 3.810) 6.047 4.313 ( -1.318 2.047 4.033) 4.711 4.484 ( 1.672 3.136 2.882) 4.575 4.637 ( -2.368 -0.285 -2.310) 3.321 4.852 ( 7.356 -1.435 3.554) 8.294 4.948 ( 1.164 -3.463 5.232) 6.381 5.427 ( -4.883 3.886 1.917) 6.528 5.577 ( -6.360 1.356 1.129) 6.600 5.734 ( 3.439 -1.919 -3.633) 5.357 5.803 ( 5.626 -1.059 8.158) 9.967 6.067 ( 0.392 2.383 0.848) 2.559 6.271 ( -1.807 -5.082 -3.612) 6.492 6.349 ( -1.344 -2.842 -1.040) 3.311 6.450 ( 0.202 1.943 3.934) 4.392 6.601 ( 3.177 -6.061 -2.325) 7.228 7.742 ( -9.813 -11.761 5.986) 16.445 7.891 ( -2.386 2.357 -8.788) 9.406 8.359 ( 7.507 4.791 -5.492) 10.463 9.107 ( -0.880 1.935 -3.486) 4.084 ======================= Grid point 352 (170/185) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 1.441 0.469 3.858) 4.145 2.016 ( -5.448 4.956 -3.099) 7.990 2.117 ( 2.251 -5.725 -5.232) 8.076 2.330 ( -2.423 7.118 7.703) 10.765 2.465 ( -1.466 2.560 5.395) 6.149 2.709 ( 10.477 -12.766 2.247) 16.667 2.738 ( 3.863 -1.491 -13.004) 13.648 2.968 ( 4.334 -6.855 -4.813) 9.431 3.105 ( 4.712 -0.183 -10.671) 11.666 3.573 ( 5.754 14.092 13.556) 20.383 3.637 ( -0.411 -2.091 0.787) 2.272 4.100 ( -7.765 -7.130 2.439) 10.821 4.306 ( -0.345 2.233 3.883) 4.493 4.459 ( -1.836 3.027 -0.822) 3.634 4.604 ( 1.064 3.813 2.063) 4.464 4.898 ( -1.155 7.507 -1.216) 7.692 5.031 ( 2.630 -2.138 8.378) 9.038 5.299 ( -4.994 2.663 -1.114) 5.768 5.410 ( -9.598 2.476 -0.763) 9.942 5.815 ( 3.457 0.736 0.463) 3.565 5.997 ( 8.282 -2.418 8.817) 12.336 6.085 ( 2.183 0.435 3.641) 4.268 6.300 ( 1.133 -4.981 -3.468) 6.175 6.331 ( -1.816 -1.306 -0.529) 2.299 6.453 ( 1.025 0.057 2.477) 2.681 6.799 ( 10.979 -3.845 -0.173) 11.634 7.748 ( -7.204 -11.797 2.754) 14.094 7.812 ( -4.569 -5.638 -0.493) 7.273 8.429 ( 9.041 2.375 -4.015) 10.173 9.023 ( -3.225 0.611 -7.027) 7.756 ======================= Grid point 353 (171/185) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 1.366 0.864 3.932) 4.251 1.850 ( -6.600 5.477 5.356) 10.112 2.176 ( 0.712 -5.536 -2.225) 6.009 2.326 ( 0.785 0.470 -1.187) 1.498 2.465 ( -1.571 0.628 9.568) 9.717 2.762 ( 1.512 -5.049 -1.417) 5.457 2.824 ( 0.138 -6.647 -15.901) 17.235 3.150 ( 5.717 -10.553 2.667) 12.295 3.256 ( 17.476 1.057 -12.428) 21.470 3.615 ( 5.870 14.051 13.778) 20.536 3.698 ( 3.189 -3.399 1.436) 4.877 4.032 ( -9.133 -5.391 0.703) 10.629 4.297 ( -0.627 2.010 3.504) 4.088 4.411 ( -0.948 -0.099 2.485) 2.662 4.598 ( 2.956 6.433 1.235) 7.187 4.724 ( -7.837 8.417 0.202) 11.502 5.093 ( -0.852 13.105 -7.514) 15.130 5.165 ( -6.020 -8.925 0.729) 10.791 5.306 ( -0.551 0.635 6.216) 6.272 5.811 ( -1.354 3.141 -0.563) 3.466 6.157 ( 2.830 -1.655 1.960) 3.820 6.207 ( 8.168 0.721 9.449) 12.510 6.309 ( -0.158 -1.994 0.212) 2.012 6.399 ( 2.951 -4.258 4.509) 6.868 6.492 ( 0.558 -1.415 1.453) 2.104 6.930 ( 6.962 6.055 -6.912) 11.528 7.774 ( -3.890 -12.182 -0.424) 12.795 7.848 ( -5.278 -13.015 6.601) 15.518 8.573 ( 10.499 -1.332 -1.363) 10.671 8.936 ( -2.412 -3.419 -7.401) 8.502 ======================= Grid point 354 (172/185) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.918 1.099 2.069) 2.516 1.764 ( -3.886 1.821 5.846) 7.252 2.238 ( -0.510 -5.414 4.954) 7.356 2.313 ( 0.400 -4.056 -9.198) 10.061 2.522 ( -0.671 -2.029 13.685) 13.851 2.724 ( -2.457 -5.378 -15.336) 16.436 2.942 ( 6.521 -5.632 4.643) 9.788 3.225 ( -3.000 -2.753 -4.885) 6.360 3.478 ( 17.677 -0.494 -12.866) 21.869 3.654 ( 4.872 12.807 12.258) 18.385 3.774 ( -1.354 -2.409 3.663) 4.589 3.900 ( -7.129 3.519 -2.379) 8.299 4.300 ( 1.502 2.872 2.981) 4.404 4.447 ( -0.458 0.889 3.734) 3.866 4.518 ( -8.256 6.936 7.404) 13.080 4.594 ( 4.407 5.652 -10.337) 12.578 4.892 ( 0.734 2.466 -5.076) 5.691 5.145 ( -10.157 -10.314 1.284) 14.532 5.415 ( 7.894 2.350 7.456) 11.110 5.716 ( -4.835 3.287 -2.527) 6.369 6.223 ( 3.152 -1.148 -0.189) 3.360 6.309 ( -0.186 1.370 3.725) 3.974 6.361 ( 2.947 -0.242 4.243) 5.171 6.487 ( -0.591 1.639 -1.897) 2.576 6.562 ( 5.959 -2.332 10.350) 12.169 6.865 ( -0.283 4.369 -10.802) 11.656 7.834 ( -1.902 -8.350 2.943) 9.056 7.913 ( -4.718 -10.521 0.788) 11.557 8.777 ( 9.237 -5.490 1.391) 10.835 8.942 ( -0.200 -8.181 -4.497) 9.338 ======================= Grid point 355 (173/185) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.833 0.443 -3.388) 3.517 1.732 ( -0.833 0.443 3.388) 3.517 2.319 ( 2.619 -4.387 -13.038) 14.004 2.319 ( -2.619 -4.387 13.038) 14.004 2.652 ( -1.337 -5.565 -15.448) 16.475 2.652 ( 1.337 -5.565 15.448) 16.475 3.127 ( -5.163 -2.697 -8.347) 10.178 3.127 ( 5.163 -2.697 8.347) 10.178 3.644 ( 3.403 6.716 -8.958) 11.701 3.644 ( -3.403 6.716 8.958) 11.701 3.735 ( 5.359 3.277 -9.200) 11.140 3.735 ( -5.359 3.277 9.200) 11.140 4.326 ( -3.236 4.200 -2.020) 5.673 4.326 ( 3.236 4.200 2.020) 5.673 4.492 ( 2.984 4.381 -17.421) 18.210 4.492 ( -2.984 4.381 17.421) 18.210 5.061 ( -6.269 -8.508 -4.494) 11.485 5.061 ( 6.269 -8.508 4.494) 11.485 5.563 ( -5.845 2.290 -6.626) 9.127 5.563 ( 5.845 2.290 6.626) 9.127 6.282 ( -0.787 0.030 -0.599) 0.989 6.282 ( 0.787 0.030 0.599) 0.989 6.411 ( -1.601 3.300 -4.179) 5.560 6.411 ( 1.601 3.300 4.179) 5.560 6.740 ( -4.429 -0.600 -11.622) 12.451 6.740 ( 4.429 -0.600 11.622) 12.451 7.918 ( -0.102 -5.543 -5.113) 7.541 7.918 ( 0.102 -5.543 5.113) 7.541 8.973 ( -4.270 -6.881 -2.885) 8.596 8.973 ( 4.270 -6.881 2.885) 8.596 ======================= Grid point 359 (174/185) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -0.367 -0.000 -0.874) 0.948 1.884 ( 8.074 0.000 -11.988) 14.454 1.923 ( 1.970 0.000 -16.481) 16.599 2.381 ( -4.362 -0.000 2.948) 5.265 2.599 ( 2.607 0.000 8.067) 8.477 2.687 ( 0.078 0.000 -12.097) 12.097 2.832 ( -5.841 -0.000 -1.218) 5.966 3.037 ( -7.553 -0.000 -6.310) 9.842 3.285 ( -1.531 -0.000 -3.062) 3.423 3.673 ( 3.346 0.000 7.377) 8.100 3.783 ( -5.495 -0.000 -1.376) 5.665 4.194 ( 1.698 0.000 12.567) 12.681 4.305 ( -1.997 -0.000 10.599) 10.785 4.433 ( 1.944 0.000 6.684) 6.961 4.457 ( 2.734 0.000 4.990) 5.689 4.700 ( -2.174 -0.000 -4.403) 4.911 4.786 ( 9.608 0.000 -1.727) 9.762 5.443 ( 7.233 0.000 4.898) 8.736 5.607 ( 0.274 0.000 -0.582) 0.643 5.690 ( 0.552 0.000 5.910) 5.936 5.807 ( -5.960 -0.000 -6.620) 8.908 6.105 ( -1.268 -0.000 3.138) 3.384 6.299 ( -1.646 -0.000 -1.777) 2.422 6.365 ( -5.060 -0.000 -5.142) 7.214 6.377 ( -5.179 -0.000 3.328) 6.156 6.626 ( -2.980 -0.000 -4.631) 5.507 7.713 ( -15.865 -0.000 -0.080) 15.866 8.082 ( -2.379 -0.000 -11.634) 11.875 8.358 ( 7.736 0.000 -6.473) 10.087 9.150 ( 1.705 0.000 0.644) 1.823 ======================= Grid point 360 (175/185) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.567 0.104 2.367) 2.436 1.925 ( 7.982 0.539 -11.452) 13.969 2.022 ( 9.437 -8.095 -5.136) 13.452 2.312 ( -2.884 1.561 0.896) 3.400 2.592 ( 0.224 4.663 -5.020) 6.855 2.723 ( -1.296 -0.985 -0.433) 1.684 2.759 ( 3.684 1.314 -6.816) 7.858 2.825 ( -6.818 0.918 -8.269) 10.757 3.217 ( -2.018 2.864 -6.383) 7.281 3.644 ( -6.409 0.704 -0.721) 6.488 3.754 ( 1.815 2.503 7.111) 7.754 4.160 ( -3.922 9.568 12.083) 15.903 4.336 ( -2.018 -1.336 5.052) 5.602 4.546 ( 5.215 2.573 9.027) 10.738 4.622 ( -3.616 -0.527 -5.877) 6.920 4.695 ( 6.519 -10.686 16.878) 21.013 4.933 ( 8.555 0.524 -1.296) 8.669 5.501 ( -5.378 2.608 4.433) 7.441 5.612 ( -1.917 2.494 1.969) 3.711 5.679 ( -0.210 -3.582 -0.069) 3.589 5.788 ( 3.929 -0.468 6.402) 7.526 6.121 ( 0.597 2.092 4.222) 4.749 6.225 ( -2.626 1.489 -5.037) 5.872 6.281 ( -2.883 -3.590 -3.098) 5.550 6.377 ( 1.307 -6.441 1.296) 6.699 6.558 ( -1.034 0.637 -5.987) 6.109 7.549 ( -9.641 -6.031 5.950) 12.834 7.949 ( -3.494 2.216 -11.738) 12.445 8.421 ( 5.691 1.501 -7.777) 9.753 9.145 ( -0.439 1.342 -4.467) 4.685 ======================= Grid point 361 (176/185) ======================= q-point: (-0.56 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 2.201 0.709 4.153) 4.753 2.008 ( 8.335 -0.208 -8.971) 12.247 2.125 ( -3.110 1.166 -0.346) 3.339 2.428 ( 9.482 -7.561 7.007) 14.007 2.517 ( -3.138 4.328 -3.196) 6.228 2.544 ( -0.682 4.333 -0.935) 4.485 2.744 ( 2.063 0.090 -12.725) 12.891 2.848 ( 0.251 -3.840 -7.880) 8.769 3.132 ( 5.507 2.723 -8.417) 10.421 3.594 ( -0.542 -1.144 2.322) 2.644 3.784 ( -1.233 -0.532 5.430) 5.593 4.063 ( -5.375 8.904 12.876) 16.552 4.345 ( -0.691 1.067 4.682) 4.852 4.519 ( -2.997 1.889 -5.820) 6.813 4.662 ( 5.027 3.232 7.362) 9.483 4.928 ( -2.271 -6.582 14.788) 16.345 5.030 ( 5.786 4.684 0.339) 7.452 5.345 ( -8.985 3.702 3.613) 10.368 5.503 ( -4.079 4.142 -0.297) 5.820 5.796 ( 4.520 -2.341 2.722) 5.773 5.933 ( 4.689 -3.283 8.661) 10.381 6.137 ( 3.108 3.258 3.035) 5.430 6.195 ( 0.898 -3.148 -2.627) 4.198 6.271 ( -1.164 -4.128 -1.732) 4.626 6.483 ( -0.128 1.402 1.063) 1.764 6.607 ( 10.209 -13.173 -3.795) 17.093 7.538 ( -6.402 -8.429 7.606) 13.034 7.786 ( -5.629 1.767 -9.960) 11.576 8.445 ( 3.909 -0.346 -6.688) 7.754 9.056 ( -3.202 1.989 -8.862) 9.630 ======================= Grid point 362 (177/185) ======================= q-point: (-0.44 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 2.724 1.757 4.395) 5.461 1.994 ( -4.132 7.934 -2.022) 9.171 2.075 ( 2.448 -3.216 -5.481) 6.810 2.375 ( -4.671 4.996 3.946) 7.895 2.522 ( 0.962 4.243 5.753) 7.213 2.689 ( -0.634 -3.554 -4.248) 5.575 2.723 ( 3.577 -2.982 -12.971) 13.781 2.903 ( 9.397 -13.273 2.594) 16.468 3.272 ( 15.978 0.607 -11.028) 19.424 3.647 ( 3.527 -1.587 0.801) 3.949 3.799 ( -3.419 -5.420 3.781) 7.440 3.970 ( -4.514 8.613 13.119) 16.330 4.345 ( -0.236 2.875 4.409) 5.269 4.431 ( -1.317 1.144 -3.561) 3.965 4.718 ( 2.852 4.876 1.116) 5.758 4.895 ( -9.451 5.897 11.187) 15.787 5.010 ( -6.596 -1.051 3.515) 7.548 5.283 ( 1.448 3.151 0.055) 3.469 5.397 ( 1.811 9.550 -2.142) 9.953 5.843 ( -2.350 0.022 2.278) 3.273 6.080 ( 3.681 -4.974 3.011) 6.882 6.216 ( 3.803 -1.582 0.770) 4.190 6.266 ( 3.265 -1.896 6.356) 7.392 6.320 ( 3.661 -2.630 3.737) 5.855 6.475 ( 0.640 0.212 0.234) 0.714 6.941 ( 14.267 -8.681 -2.836) 16.940 7.520 ( -7.759 -8.950 -6.234) 13.385 7.664 ( -6.647 -5.874 5.133) 10.248 8.506 ( 4.388 -4.819 -3.115) 7.224 8.914 ( -4.374 0.597 -10.628) 11.509 ======================= Grid point 363 (178/185) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 2.665 3.122 1.807) 4.485 1.851 ( -4.103 6.722 3.570) 8.647 2.120 ( 1.530 -4.945 -2.350) 5.685 2.258 ( -5.328 -0.534 -3.935) 6.645 2.527 ( -1.201 1.645 9.709) 9.920 2.645 ( -0.373 -2.871 -13.781) 14.082 2.855 ( 9.198 -2.965 5.059) 10.908 3.136 ( 0.715 -6.475 -0.257) 6.519 3.460 ( 14.618 -1.338 -11.647) 18.738 3.715 ( -1.933 -3.040 2.437) 4.350 3.844 ( 1.979 -5.320 -0.430) 5.692 3.905 ( -2.156 7.421 10.491) 13.030 4.356 ( 2.579 2.797 4.837) 6.154 4.433 ( 2.216 -0.789 1.598) 2.844 4.643 ( -3.712 5.037 -6.174) 8.790 4.754 ( -6.489 8.541 13.024) 16.872 4.929 ( -5.099 -2.436 -0.495) 5.673 5.118 ( -3.714 12.680 -9.404) 16.218 5.468 ( 8.563 3.027 4.389) 10.087 5.764 ( -6.180 1.467 -0.765) 6.397 6.185 ( 2.991 -3.279 0.194) 4.442 6.263 ( -1.278 -4.067 0.446) 4.287 6.380 ( 2.970 -0.078 7.939) 8.477 6.468 ( 2.036 -2.436 -0.547) 3.222 6.535 ( 8.981 0.295 9.153) 12.826 7.002 ( -2.635 8.369 -10.146) 13.414 7.575 ( 3.199 -19.562 -7.739) 21.279 7.691 ( -6.623 -9.881 10.652) 15.967 8.643 ( 4.684 -8.051 0.640) 9.337 8.808 ( -2.941 -4.562 -8.047) 9.707 ======================= Grid point 364 (179/185) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 2.765 3.518 -4.465) 6.321 1.766 ( -2.765 3.518 4.465) 6.321 2.205 ( 2.007 -5.858 -9.607) 11.430 2.205 ( -2.007 -5.858 9.607) 11.430 2.583 ( 0.623 -1.599 -14.915) 15.013 2.583 ( -0.623 -1.599 14.915) 15.013 3.070 ( -7.632 -2.667 -7.263) 10.868 3.070 ( 7.632 -2.667 7.263) 10.868 3.651 ( 10.701 -2.544 -9.843) 14.760 3.651 ( -10.701 -2.544 9.843) 14.760 3.872 ( 0.317 5.254 -7.195) 8.915 3.872 ( -0.317 5.254 7.195) 8.915 4.417 ( -4.052 3.964 -4.807) 7.432 4.417 ( 4.052 3.964 4.807) 7.432 4.603 ( 0.963 4.817 -16.828) 17.531 4.603 ( -0.963 4.817 16.828) 17.531 4.932 ( -4.931 -0.270 -1.859) 5.277 4.932 ( 4.931 -0.270 1.859) 5.277 5.610 ( -6.854 2.342 -4.879) 8.733 5.610 ( 6.854 2.342 4.879) 8.733 6.260 ( -0.262 -2.278 -0.421) 2.331 6.260 ( 0.262 -2.278 0.421) 2.331 6.456 ( -1.438 0.236 -4.921) 5.132 6.456 ( 1.438 0.236 4.921) 5.132 6.758 ( -8.401 3.054 -12.352) 15.247 6.758 ( 8.401 3.054 12.352) 15.247 7.753 ( 4.424 -11.317 -8.565) 14.867 7.753 ( -4.424 -11.317 8.565) 14.867 8.806 ( -2.854 -9.152 -3.207) 10.109 8.806 ( 2.854 -9.152 3.207) 10.109 ======================= Grid point 370 (180/185) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 2.582 0.000 4.816) 5.465 2.048 ( 2.807 0.000 -1.873) 3.375 2.099 ( 11.845 0.000 -4.700) 12.744 2.314 ( 5.018 0.000 -1.482) 5.232 2.576 ( 1.324 0.000 -5.556) 5.711 2.646 ( -6.662 -0.000 -3.312) 7.440 2.688 ( -1.907 -0.000 -5.859) 6.162 2.836 ( 4.638 0.000 -9.929) 10.959 3.177 ( 3.546 0.000 -8.541) 9.248 3.586 ( -0.865 -0.000 3.150) 3.267 3.721 ( -7.311 -0.000 2.580) 7.752 4.249 ( -5.128 -0.000 13.395) 14.343 4.313 ( -0.890 -0.000 3.635) 3.743 4.534 ( -2.624 -0.000 -3.320) 4.232 4.737 ( 4.794 0.000 6.031) 7.705 4.814 ( 1.509 0.000 20.873) 20.927 5.076 ( 8.219 0.000 0.675) 8.246 5.417 ( -6.868 -0.000 3.143) 7.553 5.530 ( -6.927 -0.000 5.651) 8.939 5.763 ( 5.889 0.000 2.239) 6.300 5.887 ( 2.344 0.000 9.752) 10.029 6.160 ( 1.147 0.000 3.019) 3.229 6.173 ( -2.918 -0.000 -4.276) 5.177 6.277 ( 5.977 0.000 1.031) 6.065 6.385 ( 7.715 0.000 -6.311) 9.967 6.519 ( -0.285 -0.000 -4.994) 5.003 7.451 ( -5.243 -0.000 10.342) 11.595 7.814 ( -5.267 -0.000 -12.662) 13.713 8.437 ( 1.593 0.000 -7.611) 7.776 9.078 ( -3.255 -0.000 -9.592) 10.129 ======================= Grid point 371 (181/185) ======================= q-point: (-0.56 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 2.851 0.830 5.761) 6.481 2.029 ( -2.910 -0.617 -1.330) 3.258 2.158 ( 4.589 7.001 -8.644) 12.033 2.503 ( -2.449 5.060 -1.489) 5.816 2.524 ( 8.610 -5.610 4.405) 11.180 2.622 ( -1.922 -3.072 -8.365) 9.116 2.683 ( 6.477 0.241 2.022) 6.789 2.757 ( 0.424 -0.505 -6.624) 6.656 3.285 ( 13.834 0.762 -9.494) 16.796 3.624 ( -4.451 -5.107 0.897) 6.834 3.633 ( -0.757 -2.356 2.728) 3.683 4.151 ( -8.271 6.454 10.459) 14.814 4.349 ( -0.352 -2.770 3.437) 4.429 4.472 ( -1.123 2.629 -3.205) 4.295 4.778 ( 0.058 1.510 -0.652) 1.646 4.870 ( -9.849 -1.788 14.802) 17.869 5.188 ( 4.452 8.456 6.733) 11.690 5.343 ( 1.300 5.243 4.716) 7.171 5.521 ( 0.413 0.635 5.959) 6.007 5.827 ( -0.847 -0.396 0.822) 1.245 5.991 ( 2.114 -3.833 6.104) 7.511 6.130 ( -0.987 -3.479 -1.872) 4.072 6.244 ( 2.756 -1.572 8.834) 9.387 6.363 ( 10.668 7.250 -0.877) 12.928 6.488 ( 0.105 0.562 -2.025) 2.104 6.640 ( 15.490 -16.466 -6.265) 23.459 7.441 ( -6.456 -1.499 8.230) 10.566 7.619 ( -8.218 0.201 -11.498) 14.134 8.424 ( 0.477 -2.677 -3.056) 4.090 8.931 ( -5.367 0.692 -12.707) 13.812 ======================= Grid point 372 (182/185) ======================= q-point: (-0.44 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 2.392 1.452 5.294) 5.988 1.956 ( -3.805 1.409 -2.846) 4.956 2.116 ( 4.827 6.170 -5.366) 9.496 2.330 ( -8.125 7.406 -0.754) 11.020 2.555 ( -1.344 0.270 -0.083) 1.373 2.611 ( -0.146 0.032 -7.121) 7.123 2.806 ( 10.219 -3.273 5.560) 12.085 2.985 ( 7.194 -7.561 3.512) 11.012 3.432 ( 9.434 -1.134 -9.192) 13.221 3.602 ( -7.346 -9.453 4.519) 12.797 3.727 ( 9.786 -2.277 -6.995) 12.243 4.011 ( -10.282 2.580 11.054) 15.316 4.398 ( 1.516 -0.925 3.581) 3.997 4.427 ( 1.730 1.844 -3.343) 4.191 4.711 ( -3.217 1.843 -5.367) 6.523 4.757 ( -11.701 -1.323 7.790) 14.119 5.154 ( 2.345 17.773 15.287) 23.560 5.360 ( 1.778 8.910 -6.324) 11.071 5.542 ( 5.384 4.740 1.666) 7.365 5.770 ( -6.057 -0.683 0.358) 6.106 6.098 ( 2.686 -4.966 1.514) 5.845 6.165 ( -1.048 -5.818 0.528) 5.935 6.357 ( 1.458 -1.444 10.087) 10.294 6.446 ( 2.140 0.621 -3.942) 4.528 6.567 ( 13.292 3.036 6.108) 14.940 7.076 ( 16.908 -13.520 -3.035) 21.861 7.230 ( -14.128 -1.032 -10.554) 17.664 7.512 ( -8.754 -8.595 4.174) 12.959 8.496 ( 2.828 -5.962 3.501) 7.470 8.759 ( -5.586 -1.042 -12.346) 13.591 ======================= Grid point 373 (183/185) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -1.715 4.017 -3.522) 5.611 1.856 ( 1.715 4.017 3.522) 5.611 2.150 ( 1.589 1.891 -9.293) 9.616 2.150 ( -1.589 1.891 9.293) 9.616 2.568 ( 1.200 -0.301 -9.893) 9.970 2.568 ( -1.200 -0.301 9.893) 9.970 3.022 ( -6.915 -2.669 -5.591) 9.285 3.022 ( 6.915 -2.669 5.591) 9.285 3.572 ( 9.424 -5.504 -6.875) 12.899 3.572 ( -9.424 -5.504 6.875) 12.899 3.894 ( 10.388 -1.754 -9.779) 14.374 3.894 ( -10.388 -1.754 9.779) 14.374 4.446 ( -0.761 -0.663 -2.454) 2.654 4.446 ( 0.761 -0.663 2.454) 2.654 4.642 ( 5.034 1.576 -4.584) 6.988 4.642 ( -5.034 1.576 4.584) 6.988 5.127 ( -3.469 16.307 -14.269) 21.945 5.127 ( 3.469 16.307 14.269) 21.945 5.648 ( -7.744 1.353 -1.455) 7.994 5.648 ( 7.744 1.353 1.455) 7.994 6.192 ( -0.724 -4.700 -0.609) 4.794 6.192 ( 0.724 -4.700 0.609) 4.794 6.434 ( -0.191 -1.499 -6.364) 6.541 6.434 ( 0.191 -1.499 6.364) 6.541 6.841 ( -14.596 4.630 -11.613) 19.218 6.841 ( 14.596 4.630 11.613) 19.218 7.486 ( 5.968 -15.240 -9.124) 18.738 7.486 ( -5.968 -15.240 9.124) 18.738 8.651 ( -3.823 -6.127 -7.151) 10.164 8.651 ( 3.823 -6.127 7.151) 10.164 ======================= Grid point 381 (184/185) ======================= q-point: (-0.56 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 1.778 0.000 5.416) 5.700 1.956 ( -3.400 -0.000 -3.056) 4.571 2.226 ( 4.676 0.000 -5.213) 7.003 2.439 ( -7.214 -0.000 -5.209) 8.899 2.534 ( -0.044 -0.000 1.856) 1.857 2.634 ( -0.980 -0.000 -7.191) 7.258 2.740 ( 11.731 0.000 2.585) 12.013 2.906 ( 7.431 0.000 7.007) 10.214 3.434 ( 8.041 0.000 -7.823) 11.219 3.468 ( -6.288 -0.000 3.662) 7.277 3.713 ( 8.765 0.000 -6.786) 11.085 4.032 ( -14.101 -0.000 10.048) 17.315 4.375 ( 2.178 0.000 3.587) 4.196 4.454 ( -0.069 -0.000 -4.022) 4.022 4.727 ( -3.020 -0.000 -4.233) 5.200 4.753 ( -10.200 -0.000 8.639) 13.367 5.383 ( 7.437 0.000 2.779) 7.939 5.453 ( 0.504 0.000 9.616) 9.629 5.581 ( 1.139 0.000 9.293) 9.363 5.770 ( -3.218 -0.000 -7.777) 8.417 6.028 ( 1.276 0.000 4.927) 5.089 6.091 ( -0.709 -0.000 -0.490) 0.862 6.341 ( 1.586 0.000 11.516) 11.624 6.462 ( 0.252 0.000 -6.224) 6.229 6.664 ( 15.142 0.000 5.033) 15.956 6.786 ( 18.699 0.000 -5.200) 19.408 7.347 ( -11.934 -0.000 8.048) 14.395 7.357 ( -11.669 -0.000 -16.316) 20.059 8.435 ( 2.636 0.000 5.811) 6.381 8.750 ( -6.496 -0.000 -14.086) 15.511 ======================= Grid point 383 (185/185) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 167 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -2.446 -0.071 -4.580) 5.193 1.884 ( 2.446 -0.071 4.580) 5.193 2.269 ( -0.706 6.642 -4.170) 7.874 2.269 ( 0.706 6.642 4.170) 7.874 2.566 ( -0.582 0.104 -5.440) 5.472 2.566 ( 0.582 0.104 5.440) 5.472 2.953 ( -5.798 -3.731 -2.439) 7.314 2.953 ( 5.798 -3.731 2.439) 7.314 3.468 ( 1.885 -3.602 -5.837) 7.113 3.468 ( -1.885 -3.602 5.837) 7.113 3.860 ( 14.094 -1.061 -11.802) 18.414 3.860 ( -14.094 -1.061 11.802) 18.414 4.430 ( -0.429 -0.451 -3.546) 3.601 4.430 ( 0.429 -0.451 3.546) 3.601 4.675 ( 2.676 1.176 -6.251) 6.901 4.675 ( -2.676 1.176 6.251) 6.901 5.422 ( 0.048 10.608 -10.091) 14.641 5.422 ( -0.048 10.608 10.091) 14.641 5.662 ( -1.946 0.146 -7.527) 7.776 5.662 ( 1.946 0.146 7.527) 7.776 6.092 ( -0.908 -4.236 -1.384) 4.548 6.092 ( 0.908 -4.236 1.384) 4.548 6.418 ( -0.162 -0.167 -8.575) 8.578 6.418 ( 0.162 -0.167 8.575) 8.578 6.925 ( -15.729 3.611 -8.382) 18.185 6.925 ( 15.729 3.611 8.382) 18.185 7.217 ( 0.200 -9.948 -10.809) 14.691 7.217 ( -0.200 -9.948 10.809) 14.691 8.574 ( -5.499 -1.879 -11.545) 12.925 8.574 ( 5.499 -1.879 11.545) 12.925 =================== 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 3/19440 10.0 741.072 585.217 777.770 0.000 171.568 0.000 3/19440 20.0 194.989 200.353 248.446 0.000 0.399 0.000 3/19440 30.0 81.516 91.765 111.925 0.000 -1.442 0.000 3/19440 40.0 44.545 53.338 64.022 0.000 -0.621 0.000 3/19440 50.0 28.885 35.581 42.603 0.000 -0.261 0.000 3/19440 60.0 20.894 25.982 31.229 0.000 -0.124 0.000 3/19440 70.0 16.236 20.214 24.436 0.000 -0.064 0.000 3/19440 80.0 13.251 16.464 20.022 0.000 -0.034 0.000 3/19440 90.0 11.199 13.871 16.962 0.000 -0.017 0.000 3/19440 100.0 9.710 11.987 14.732 0.000 -0.006 0.000 3/19440 110.0 8.584 10.562 13.039 0.000 0.002 0.000 3/19440 120.0 7.702 9.449 11.711 0.000 0.007 0.000 3/19440 130.0 6.993 8.556 10.641 0.000 0.011 0.000 3/19440 140.0 6.410 7.824 9.760 0.000 0.013 0.000 3/19440 150.0 5.921 7.213 9.021 0.000 0.015 0.000 3/19440 160.0 5.505 6.694 8.391 0.000 0.017 0.000 3/19440 170.0 5.146 6.248 7.848 0.000 0.018 0.000 3/19440 180.0 4.834 5.860 7.374 0.000 0.019 0.000 3/19440 190.0 4.559 5.520 6.957 0.000 0.019 0.000 3/19440 200.0 4.314 5.218 6.586 0.000 0.019 0.000 3/19440 210.0 4.096 4.949 6.254 0.000 0.019 0.000 3/19440 220.0 3.900 4.708 5.956 0.000 0.019 0.000 3/19440 230.0 3.722 4.489 5.685 0.000 0.019 0.000 3/19440 240.0 3.560 4.291 5.439 0.000 0.019 0.000 3/19440 250.0 3.412 4.110 5.214 0.000 0.019 0.000 3/19440 260.0 3.276 3.944 5.007 0.000 0.019 0.000 3/19440 270.0 3.151 3.792 4.817 0.000 0.019 0.000 3/19440 280.0 3.036 3.651 4.641 0.000 0.018 0.000 3/19440 290.0 2.928 3.520 4.477 0.000 0.018 0.000 3/19440 300.0 2.829 3.399 4.325 0.000 0.018 0.000 3/19440 310.0 2.736 3.286 4.183 0.000 0.018 0.000 3/19440 320.0 2.649 3.180 4.051 0.000 0.017 0.000 3/19440 330.0 2.567 3.081 3.926 0.000 0.017 0.000 3/19440 340.0 2.491 2.989 3.809 0.000 0.017 0.000 3/19440 350.0 2.419 2.901 3.700 0.000 0.016 0.000 3/19440 360.0 2.351 2.819 3.596 0.000 0.016 0.000 3/19440 370.0 2.287 2.741 3.498 0.000 0.016 0.000 3/19440 380.0 2.226 2.668 3.405 0.000 0.016 0.000 3/19440 390.0 2.169 2.599 3.317 0.000 0.015 0.000 3/19440 400.0 2.114 2.533 3.234 0.000 0.015 0.000 3/19440 410.0 2.062 2.470 3.155 0.000 0.015 0.000 3/19440 420.0 2.013 2.411 3.080 0.000 0.015 0.000 3/19440 430.0 1.966 2.354 3.008 0.000 0.014 0.000 3/19440 440.0 1.921 2.300 2.939 0.000 0.014 0.000 3/19440 450.0 1.878 2.248 2.874 0.000 0.014 0.000 3/19440 460.0 1.837 2.199 2.811 0.000 0.014 0.000 3/19440 470.0 1.798 2.152 2.752 0.000 0.013 0.000 3/19440 480.0 1.761 2.107 2.694 0.000 0.013 0.000 3/19440 490.0 1.725 2.063 2.639 0.000 0.013 0.000 3/19440 500.0 1.690 2.022 2.586 0.000 0.013 0.000 3/19440 510.0 1.657 1.982 2.536 0.000 0.013 0.000 3/19440 520.0 1.625 1.944 2.487 0.000 0.012 0.000 3/19440 530.0 1.595 1.907 2.440 0.000 0.012 0.000 3/19440 540.0 1.565 1.871 2.395 0.000 0.012 0.000 3/19440 550.0 1.537 1.837 2.352 0.000 0.012 0.000 3/19440 560.0 1.509 1.804 2.310 0.000 0.012 0.000 3/19440 570.0 1.483 1.773 2.269 0.000 0.012 0.000 3/19440 580.0 1.457 1.742 2.230 0.000 0.011 0.000 3/19440 590.0 1.433 1.712 2.193 0.000 0.011 0.000 3/19440 600.0 1.409 1.684 2.156 0.000 0.011 0.000 3/19440 610.0 1.386 1.656 2.121 0.000 0.011 0.000 3/19440 620.0 1.363 1.629 2.087 0.000 0.011 0.000 3/19440 630.0 1.342 1.603 2.054 0.000 0.011 0.000 3/19440 640.0 1.321 1.578 2.022 0.000 0.010 0.000 3/19440 650.0 1.301 1.554 1.991 0.000 0.010 0.000 3/19440 660.0 1.281 1.530 1.961 0.000 0.010 0.000 3/19440 670.0 1.262 1.508 1.932 0.000 0.010 0.000 3/19440 680.0 1.244 1.485 1.903 0.000 0.010 0.000 3/19440 690.0 1.226 1.464 1.876 0.000 0.010 0.000 3/19440 700.0 1.208 1.443 1.849 0.000 0.010 0.000 3/19440 710.0 1.191 1.423 1.823 0.000 0.010 0.000 3/19440 720.0 1.175 1.403 1.798 0.000 0.009 0.000 3/19440 730.0 1.159 1.384 1.774 0.000 0.009 0.000 3/19440 740.0 1.143 1.365 1.750 0.000 0.009 0.000 3/19440 750.0 1.128 1.347 1.727 0.000 0.009 0.000 3/19440 760.0 1.113 1.329 1.704 0.000 0.009 0.000 3/19440 770.0 1.099 1.312 1.682 0.000 0.009 0.000 3/19440 780.0 1.085 1.295 1.660 0.000 0.009 0.000 3/19440 790.0 1.071 1.279 1.639 0.000 0.009 0.000 3/19440 800.0 1.058 1.263 1.619 0.000 0.009 0.000 3/19440 810.0 1.045 1.247 1.599 0.000 0.009 0.000 3/19440 820.0 1.032 1.232 1.580 0.000 0.008 0.000 3/19440 830.0 1.020 1.217 1.561 0.000 0.008 0.000 3/19440 840.0 1.008 1.203 1.542 0.000 0.008 0.000 3/19440 850.0 0.996 1.189 1.524 0.000 0.008 0.000 3/19440 860.0 0.984 1.175 1.507 0.000 0.008 0.000 3/19440 870.0 0.973 1.161 1.489 0.000 0.008 0.000 3/19440 880.0 0.962 1.148 1.473 0.000 0.008 0.000 3/19440 890.0 0.951 1.135 1.456 0.000 0.008 0.000 3/19440 900.0 0.941 1.123 1.440 0.000 0.008 0.000 3/19440 910.0 0.930 1.110 1.424 0.000 0.008 0.000 3/19440 920.0 0.920 1.098 1.409 0.000 0.008 0.000 3/19440 930.0 0.910 1.087 1.394 0.000 0.008 0.000 3/19440 940.0 0.901 1.075 1.379 0.000 0.007 0.000 3/19440 950.0 0.891 1.064 1.365 0.000 0.007 0.000 3/19440 960.0 0.882 1.053 1.350 0.000 0.007 0.000 3/19440 970.0 0.873 1.042 1.337 0.000 0.007 0.000 3/19440 980.0 0.864 1.031 1.323 0.000 0.007 0.000 3/19440 990.0 0.856 1.021 1.310 0.000 0.007 0.000 3/19440 1000.0 0.847 1.011 1.297 0.000 0.007 0.000 3/19440 Thermal conductivity related properties were written into "kappa-m998.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:44:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|