----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:51:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.259511905002469 -3.036881100000000 0.000000000000000 b 5.259511905002469 3.036881100000000 0.000000000000000 c -3.543505966846951 0.000000000000000 4.989211922671233 Atomic positions (fractional): *1 O 0.77695911118895 0.28716651507874 0.78932508429282 15.999 2 O 0.71283348492126 0.22304088881105 0.21067491570718 15.999 3 O 0.28716651507874 0.77695911118895 0.78932508429282 15.999 *4 O 0.25669483504476 0.25669483504476 0.69719006401457 15.999 5 O 0.74330516495524 0.74330516495524 0.30280993598543 15.999 6 O 0.22304088881105 0.71283348492126 0.21067491570718 15.999 *7 Ba 0.24923369923480 0.24923369923480 0.24487425202865 137.327 8 Ba 0.75076630076520 0.75076630076520 0.75512574797135 137.327 *9 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 *10 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.519023810004938 0.000000000000000 0.000000000000000 b 0.000000000000000 6.073762200000000 0.000000000000000 c -3.543505966846951 0.000000000000000 4.989211922671233 Atomic positions (fractional): *1 O 0.53206281313384 0.75510370194489 0.78932508429282 15.999 > 1 2 O 0.96793718686616 0.25510370194490 0.21067491570718 15.999 > 2 3 O 0.53206281313384 0.24489629805510 0.78932508429282 15.999 > 3 *4 O 0.25669483504476 0.00000000000000 0.69719006401457 15.999 > 4 5 O 0.24330516495524 0.50000000000000 0.30280993598543 15.999 > 5 6 O 0.96793718686616 0.74489629805511 0.21067491570718 15.999 > 6 7 O 0.03206281313384 0.25510370194490 0.78932508429282 15.999 > 1 8 O 0.46793718686616 0.75510370194489 0.21067491570718 15.999 > 2 9 O 0.03206281313384 0.74489629805511 0.78932508429282 15.999 > 3 10 O 0.75669483504476 0.50000000000000 0.69719006401457 15.999 > 4 11 O 0.74330516495524 0.00000000000000 0.30280993598543 15.999 > 5 12 O 0.46793718686616 0.24489629805510 0.21067491570718 15.999 > 6 *13 Ba 0.74923369923480 0.50000000000000 0.24487425202865 137.327 > 7 14 Ba 0.75076630076520 0.00000000000000 0.75512574797135 137.327 > 8 15 Ba 0.24923369923481 0.00000000000000 0.24487425202865 137.327 > 7 16 Ba 0.25076630076520 0.50000000000000 0.75512574797135 137.327 > 8 *17 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 > 9 18 Tb 0.50000000000000 0.50000000000000 0.50000000000000 158.925 > 9 *19 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 10 20 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.519023810004938 0.000000000000000 0.000000000000000 b 0.000000000000000 12.147524400000000 0.000000000000000 c -7.087011933693902 0.000000000000000 9.978423845342466 Atomic positions (fractional): *1 O 0.53206281313384 0.37755185097245 0.39466254214641 15.999 > 1 2 O 0.53206281313384 0.87755185097245 0.39466254214641 15.999 > 1 3 O 0.53206281313384 0.37755185097245 0.89466254214641 15.999 > 1 4 O 0.53206281313384 0.87755185097245 0.89466254214641 15.999 > 1 5 O 0.96793718686616 0.12755185097245 0.10533745785359 15.999 > 2 6 O 0.96793718686616 0.62755185097245 0.10533745785359 15.999 > 2 7 O 0.96793718686616 0.12755185097245 0.60533745785359 15.999 > 2 8 O 0.96793718686616 0.62755185097245 0.60533745785359 15.999 > 2 9 O 0.53206281313384 0.12244814902755 0.39466254214641 15.999 > 3 10 O 0.53206281313384 0.62244814902755 0.39466254214641 15.999 > 3 11 O 0.53206281313384 0.12244814902755 0.89466254214641 15.999 > 3 12 O 0.53206281313384 0.62244814902755 0.89466254214641 15.999 > 3 *13 O 0.25669483504476 0.00000000000000 0.34859503200728 15.999 > 4 14 O 0.25669483504476 0.50000000000000 0.34859503200728 15.999 > 4 15 O 0.25669483504476 0.00000000000000 0.84859503200728 15.999 > 4 16 O 0.25669483504476 0.50000000000000 0.84859503200728 15.999 > 4 17 O 0.24330516495524 0.25000000000000 0.15140496799272 15.999 > 5 18 O 0.24330516495524 0.75000000000000 0.15140496799272 15.999 > 5 19 O 0.24330516495524 0.25000000000000 0.65140496799272 15.999 > 5 20 O 0.24330516495524 0.75000000000000 0.65140496799272 15.999 > 5 21 O 0.96793718686616 0.37244814902755 0.10533745785359 15.999 > 6 22 O 0.96793718686616 0.87244814902755 0.10533745785359 15.999 > 6 23 O 0.96793718686616 0.37244814902755 0.60533745785359 15.999 > 6 24 O 0.96793718686616 0.87244814902755 0.60533745785359 15.999 > 6 25 O 0.03206281313384 0.12755185097245 0.39466254214641 15.999 > 1 26 O 0.03206281313384 0.62755185097245 0.39466254214641 15.999 > 1 27 O 0.03206281313384 0.12755185097245 0.89466254214641 15.999 > 1 28 O 0.03206281313384 0.62755185097245 0.89466254214641 15.999 > 1 29 O 0.46793718686616 0.37755185097245 0.10533745785359 15.999 > 2 30 O 0.46793718686616 0.87755185097245 0.10533745785359 15.999 > 2 31 O 0.46793718686616 0.37755185097245 0.60533745785359 15.999 > 2 32 O 0.46793718686616 0.87755185097245 0.60533745785359 15.999 > 2 33 O 0.03206281313384 0.37244814902755 0.39466254214641 15.999 > 3 34 O 0.03206281313384 0.87244814902755 0.39466254214641 15.999 > 3 35 O 0.03206281313384 0.37244814902755 0.89466254214641 15.999 > 3 36 O 0.03206281313384 0.87244814902755 0.89466254214641 15.999 > 3 37 O 0.75669483504476 0.25000000000000 0.34859503200728 15.999 > 4 38 O 0.75669483504476 0.75000000000000 0.34859503200728 15.999 > 4 39 O 0.75669483504476 0.25000000000000 0.84859503200728 15.999 > 4 40 O 0.75669483504476 0.75000000000000 0.84859503200728 15.999 > 4 41 O 0.74330516495524 0.00000000000000 0.15140496799272 15.999 > 5 42 O 0.74330516495524 0.50000000000000 0.15140496799272 15.999 > 5 43 O 0.74330516495524 0.00000000000000 0.65140496799272 15.999 > 5 44 O 0.74330516495524 0.50000000000000 0.65140496799272 15.999 > 5 45 O 0.46793718686616 0.12244814902755 0.10533745785359 15.999 > 6 46 O 0.46793718686616 0.62244814902755 0.10533745785359 15.999 > 6 47 O 0.46793718686616 0.12244814902755 0.60533745785359 15.999 > 6 48 O 0.46793718686616 0.62244814902755 0.60533745785359 15.999 > 6 *49 Ba 0.74923369923480 0.25000000000000 0.12243712601433 137.327 > 7 50 Ba 0.74923369923480 0.75000000000000 0.12243712601433 137.327 > 7 51 Ba 0.74923369923480 0.25000000000000 0.62243712601432 137.327 > 7 52 Ba 0.74923369923480 0.75000000000000 0.62243712601432 137.327 > 7 53 Ba 0.75076630076520 0.00000000000000 0.37756287398568 137.327 > 8 54 Ba 0.75076630076520 0.50000000000000 0.37756287398568 137.327 > 8 55 Ba 0.75076630076520 0.00000000000000 0.87756287398568 137.327 > 8 56 Ba 0.75076630076520 0.50000000000000 0.87756287398568 137.327 > 8 57 Ba 0.24923369923481 0.00000000000000 0.12243712601433 137.327 > 7 58 Ba 0.24923369923481 0.50000000000000 0.12243712601433 137.327 > 7 59 Ba 0.24923369923481 0.00000000000000 0.62243712601432 137.327 > 7 60 Ba 0.24923369923481 0.50000000000000 0.62243712601432 137.327 > 7 61 Ba 0.25076630076520 0.25000000000000 0.37756287398568 137.327 > 8 62 Ba 0.25076630076520 0.75000000000000 0.37756287398568 137.327 > 8 63 Ba 0.25076630076520 0.25000000000000 0.87756287398568 137.327 > 8 64 Ba 0.25076630076520 0.75000000000000 0.87756287398568 137.327 > 8 *65 Tb 0.00000000000000 0.00000000000000 0.25000000000000 158.925 > 9 66 Tb 0.00000000000000 0.50000000000000 0.25000000000000 158.925 > 9 67 Tb 0.00000000000000 0.00000000000000 0.75000000000000 158.925 > 9 68 Tb 0.00000000000000 0.50000000000000 0.75000000000000 158.925 > 9 69 Tb 0.50000000000000 0.25000000000000 0.25000000000000 158.925 > 9 70 Tb 0.50000000000000 0.75000000000000 0.25000000000000 158.925 > 9 71 Tb 0.50000000000000 0.25000000000000 0.75000000000000 158.925 > 9 72 Tb 0.50000000000000 0.75000000000000 0.75000000000000 158.925 > 9 *73 Bi 0.00000000000000 0.25000000000000 0.00000000000000 208.980 > 10 74 Bi 0.00000000000000 0.75000000000000 0.00000000000000 208.980 > 10 75 Bi 0.00000000000000 0.25000000000000 0.50000000000000 208.980 > 10 76 Bi 0.00000000000000 0.75000000000000 0.50000000000000 208.980 > 10 77 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 10 78 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 10 79 Bi 0.50000000000000 0.00000000000000 0.50000000000000 208.980 > 10 80 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9669649 0.0000000 -0.0482581 0.0000000 4.9545568 0.0000000 -0.0482623 0.0000000 4.9933919 -------------------------- Born effective charges -------------------------- 1 O -2.2297033 0.4783180 0.3963440 0.4584197 -2.7526172 -0.6404209 0.3964956 -0.5980376 -2.4608270 2 O -2.2297033 -0.4783180 0.3963440 -0.4584197 -2.7526172 0.6404209 0.3964956 0.5980376 -2.4608270 3 O -2.2297033 -0.4783180 0.3963440 -0.4584197 -2.7526172 0.6404209 0.3964956 0.5980376 -2.4608270 4 O -2.9624762 0.0000000 -0.6691866 0.0000000 -1.8807348 0.0000000 -0.7087735 0.0000000 -2.5899130 5 O -2.9624762 0.0000000 -0.6691866 0.0000000 -1.8807348 0.0000000 -0.7087735 0.0000000 -2.5899130 6 O -2.2297033 0.4783180 0.3963440 0.4584197 -2.7526172 -0.6404209 0.3964956 -0.5980376 -2.4608270 7 Ba 2.6581415 0.0000000 -0.0431207 0.0000000 2.6535997 0.0000000 -0.1342933 0.0000000 2.7296384 8 Ba 2.6581415 0.0000000 -0.0431207 0.0000000 2.6535997 0.0000000 -0.1342933 0.0000000 2.7296384 9 Tb 4.5017933 0.0000000 -0.3830908 0.0000000 4.4904294 0.0000000 0.3311725 0.0000000 4.6467705 10 Bi 5.0256894 0.0000000 0.2223297 0.0000000 4.9743095 0.0000000 -0.2310212 0.0000000 4.9170868 ---------------------------------------------------------------------------- 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: 4476/4476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1019 Number of blocks in projector: 1019 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: 242 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 151 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 151 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 151 Use standard eigh solver. Tree of FC basis block matrices: - (1019, 991), data: False |-- (151, 146), data: True |-- (151, 146), data: True |-- (151, 146), data: True |-- (162, 160), data: True |-- (162, 160), data: True |-- (242, 233), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.784 Solver_block: 200 / 320 - Time: 0.793 Solver_block: 300 / 320 - Time: 0.798 Solver_block: 320 / 320 - Time: 0.225 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.742 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 4476/4476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1019 Number of blocks in projector: 1019 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: 242 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 162 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 151 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 151 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 151 Use standard eigh solver. Tree of FC basis block matrices: - (1019, 991), data: False |-- (151, 146), data: True |-- (151, 146), data: True |-- (151, 146), data: True |-- (162, 160), data: True |-- (162, 160), data: True |-- (242, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:51:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:51:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.259511905002469 -3.036881100000000 0.000000000000000 b 5.259511905002469 3.036881100000000 0.000000000000000 c -3.543505966846951 0.000000000000000 4.989211922671233 Atomic positions (fractional): 1 O 0.77695911118895 0.28716651507874 0.78932508429282 15.999 2 O 0.71283348492126 0.22304088881105 0.21067491570718 15.999 3 O 0.28716651507874 0.77695911118895 0.78932508429282 15.999 4 O 0.25669483504476 0.25669483504476 0.69719006401457 15.999 5 O 0.74330516495524 0.74330516495524 0.30280993598543 15.999 6 O 0.22304088881105 0.71283348492126 0.21067491570718 15.999 7 Ba 0.24923369923480 0.24923369923480 0.24487425202865 137.327 8 Ba 0.75076630076520 0.75076630076520 0.75512574797135 137.327 9 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 10 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.519023810004938 0.000000000000000 0.000000000000000 b 0.000000000000000 12.147524400000000 0.000000000000000 c -7.087011933693902 0.000000000000000 9.978423845342466 Atomic positions (fractional): 1 O 0.53206281313384 0.37755185097245 0.39466254214641 15.999 > 1 2 O 0.53206281313384 0.87755185097245 0.39466254214641 15.999 > 1 3 O 0.53206281313384 0.37755185097245 0.89466254214641 15.999 > 1 4 O 0.53206281313384 0.87755185097245 0.89466254214641 15.999 > 1 5 O 0.96793718686616 0.12755185097245 0.10533745785359 15.999 > 5 6 O 0.96793718686616 0.62755185097245 0.10533745785359 15.999 > 5 7 O 0.96793718686616 0.12755185097245 0.60533745785359 15.999 > 5 8 O 0.96793718686616 0.62755185097245 0.60533745785359 15.999 > 5 9 O 0.53206281313384 0.12244814902755 0.39466254214641 15.999 > 9 10 O 0.53206281313384 0.62244814902755 0.39466254214641 15.999 > 9 11 O 0.53206281313384 0.12244814902755 0.89466254214641 15.999 > 9 12 O 0.53206281313384 0.62244814902755 0.89466254214641 15.999 > 9 13 O 0.25669483504476 0.00000000000000 0.34859503200728 15.999 > 13 14 O 0.25669483504476 0.50000000000000 0.34859503200728 15.999 > 13 15 O 0.25669483504476 0.00000000000000 0.84859503200728 15.999 > 13 16 O 0.25669483504476 0.50000000000000 0.84859503200728 15.999 > 13 17 O 0.24330516495524 0.25000000000000 0.15140496799272 15.999 > 17 18 O 0.24330516495524 0.75000000000000 0.15140496799272 15.999 > 17 19 O 0.24330516495524 0.25000000000000 0.65140496799272 15.999 > 17 20 O 0.24330516495524 0.75000000000000 0.65140496799272 15.999 > 17 21 O 0.96793718686616 0.37244814902755 0.10533745785359 15.999 > 21 22 O 0.96793718686616 0.87244814902755 0.10533745785359 15.999 > 21 23 O 0.96793718686616 0.37244814902755 0.60533745785359 15.999 > 21 24 O 0.96793718686616 0.87244814902755 0.60533745785359 15.999 > 21 25 O 0.03206281313384 0.12755185097245 0.39466254214641 15.999 > 1 26 O 0.03206281313384 0.62755185097245 0.39466254214641 15.999 > 1 27 O 0.03206281313384 0.12755185097245 0.89466254214641 15.999 > 1 28 O 0.03206281313384 0.62755185097245 0.89466254214641 15.999 > 1 29 O 0.46793718686616 0.37755185097245 0.10533745785359 15.999 > 5 30 O 0.46793718686616 0.87755185097245 0.10533745785359 15.999 > 5 31 O 0.46793718686616 0.37755185097245 0.60533745785359 15.999 > 5 32 O 0.46793718686616 0.87755185097245 0.60533745785359 15.999 > 5 33 O 0.03206281313384 0.37244814902755 0.39466254214641 15.999 > 9 34 O 0.03206281313384 0.87244814902755 0.39466254214641 15.999 > 9 35 O 0.03206281313384 0.37244814902755 0.89466254214641 15.999 > 9 36 O 0.03206281313384 0.87244814902755 0.89466254214641 15.999 > 9 37 O 0.75669483504476 0.25000000000000 0.34859503200728 15.999 > 13 38 O 0.75669483504476 0.75000000000000 0.34859503200728 15.999 > 13 39 O 0.75669483504476 0.25000000000000 0.84859503200728 15.999 > 13 40 O 0.75669483504476 0.75000000000000 0.84859503200728 15.999 > 13 41 O 0.74330516495524 0.00000000000000 0.15140496799272 15.999 > 17 42 O 0.74330516495524 0.50000000000000 0.15140496799272 15.999 > 17 43 O 0.74330516495524 0.00000000000000 0.65140496799272 15.999 > 17 44 O 0.74330516495524 0.50000000000000 0.65140496799272 15.999 > 17 45 O 0.46793718686616 0.12244814902755 0.10533745785359 15.999 > 21 46 O 0.46793718686616 0.62244814902755 0.10533745785359 15.999 > 21 47 O 0.46793718686616 0.12244814902755 0.60533745785359 15.999 > 21 48 O 0.46793718686616 0.62244814902755 0.60533745785359 15.999 > 21 49 Ba 0.74923369923480 0.25000000000000 0.12243712601433 137.327 > 49 50 Ba 0.74923369923480 0.75000000000000 0.12243712601433 137.327 > 49 51 Ba 0.74923369923480 0.25000000000000 0.62243712601432 137.327 > 49 52 Ba 0.74923369923480 0.75000000000000 0.62243712601432 137.327 > 49 53 Ba 0.75076630076520 0.00000000000000 0.37756287398568 137.327 > 53 54 Ba 0.75076630076520 0.50000000000000 0.37756287398568 137.327 > 53 55 Ba 0.75076630076520 0.00000000000000 0.87756287398568 137.327 > 53 56 Ba 0.75076630076520 0.50000000000000 0.87756287398568 137.327 > 53 57 Ba 0.24923369923481 0.00000000000000 0.12243712601433 137.327 > 49 58 Ba 0.24923369923481 0.50000000000000 0.12243712601433 137.327 > 49 59 Ba 0.24923369923481 0.00000000000000 0.62243712601432 137.327 > 49 60 Ba 0.24923369923481 0.50000000000000 0.62243712601432 137.327 > 49 61 Ba 0.25076630076520 0.25000000000000 0.37756287398568 137.327 > 53 62 Ba 0.25076630076520 0.75000000000000 0.37756287398568 137.327 > 53 63 Ba 0.25076630076520 0.25000000000000 0.87756287398568 137.327 > 53 64 Ba 0.25076630076520 0.75000000000000 0.87756287398568 137.327 > 53 65 Tb 0.00000000000000 0.00000000000000 0.25000000000000 158.925 > 65 66 Tb 0.00000000000000 0.50000000000000 0.25000000000000 158.925 > 65 67 Tb 0.00000000000000 0.00000000000000 0.75000000000000 158.925 > 65 68 Tb 0.00000000000000 0.50000000000000 0.75000000000000 158.925 > 65 69 Tb 0.50000000000000 0.25000000000000 0.25000000000000 158.925 > 65 70 Tb 0.50000000000000 0.75000000000000 0.25000000000000 158.925 > 65 71 Tb 0.50000000000000 0.25000000000000 0.75000000000000 158.925 > 65 72 Tb 0.50000000000000 0.75000000000000 0.75000000000000 158.925 > 65 73 Bi 0.00000000000000 0.25000000000000 0.00000000000000 208.980 > 73 74 Bi 0.00000000000000 0.75000000000000 0.00000000000000 208.980 > 73 75 Bi 0.00000000000000 0.25000000000000 0.50000000000000 208.980 > 73 76 Bi 0.00000000000000 0.75000000000000 0.50000000000000 208.980 > 73 77 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 73 78 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 73 79 Bi 0.50000000000000 0.00000000000000 0.50000000000000 208.980 > 73 80 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9669649 0.0000000 -0.0482581 0.0000000 4.9545568 0.0000000 -0.0482623 0.0000000 4.9933919 -------------------------- Born effective charges -------------------------- 1 O -2.2297033 0.4783180 0.3963440 0.4584197 -2.7526172 -0.6404209 0.3964956 -0.5980376 -2.4608270 2 O -2.2297033 -0.4783180 0.3963440 -0.4584197 -2.7526172 0.6404209 0.3964956 0.5980376 -2.4608270 3 O -2.2297033 -0.4783180 0.3963440 -0.4584197 -2.7526172 0.6404209 0.3964956 0.5980376 -2.4608270 4 O -2.9624762 0.0000000 -0.6691866 0.0000000 -1.8807348 0.0000000 -0.7087735 0.0000000 -2.5899130 5 O -2.9624762 0.0000000 -0.6691866 0.0000000 -1.8807348 0.0000000 -0.7087735 0.0000000 -2.5899130 6 O -2.2297033 0.4783180 0.3963440 0.4584197 -2.7526172 -0.6404209 0.3964956 -0.5980376 -2.4608270 7 Ba 2.6581415 0.0000000 -0.0431207 0.0000000 2.6535997 0.0000000 -0.1342933 0.0000000 2.7296384 8 Ba 2.6581415 0.0000000 -0.0431207 0.0000000 2.6535997 0.0000000 -0.1342933 0.0000000 2.7296384 9 Tb 4.5017933 0.0000000 -0.3830908 0.0000000 4.4904294 0.0000000 0.3311725 0.0000000 4.6467705 10 Bi 5.0256894 0.0000000 0.2223297 0.0000000 4.9743095 0.0000000 -0.2310212 0.0000000 4.9170868 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 13, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Computing fc3[ 73, 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] [-0.0058 0.0000 0.0082] [ 0.0058 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000007 (zx) -0.00000007 (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 10:52:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:52:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.259511905002469 -3.036881100000000 0.000000000000000 b 5.259511905002469 3.036881100000000 0.000000000000000 c -3.543505966846951 0.000000000000000 4.989211922671233 Atomic positions (fractional): 1 O 0.77695911118895 0.28716651507874 0.78932508429282 15.999 2 O 0.71283348492126 0.22304088881105 0.21067491570718 15.999 3 O 0.28716651507874 0.77695911118895 0.78932508429282 15.999 4 O 0.25669483504476 0.25669483504476 0.69719006401457 15.999 5 O 0.74330516495524 0.74330516495524 0.30280993598543 15.999 6 O 0.22304088881105 0.71283348492126 0.21067491570718 15.999 7 Ba 0.24923369923480 0.24923369923480 0.24487425202865 137.327 8 Ba 0.75076630076520 0.75076630076520 0.75512574797135 137.327 9 Tb 0.00000000000000 0.00000000000000 0.50000000000000 158.925 10 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.519023810004938 0.000000000000000 0.000000000000000 b 0.000000000000000 12.147524400000000 0.000000000000000 c -7.087011933693902 0.000000000000000 9.978423845342466 Atomic positions (fractional): 1 O 0.53206281313384 0.37755185097245 0.39466254214641 15.999 > 1 2 O 0.53206281313384 0.87755185097245 0.39466254214641 15.999 > 1 3 O 0.53206281313384 0.37755185097245 0.89466254214641 15.999 > 1 4 O 0.53206281313384 0.87755185097245 0.89466254214641 15.999 > 1 5 O 0.96793718686616 0.12755185097245 0.10533745785359 15.999 > 5 6 O 0.96793718686616 0.62755185097245 0.10533745785359 15.999 > 5 7 O 0.96793718686616 0.12755185097245 0.60533745785359 15.999 > 5 8 O 0.96793718686616 0.62755185097245 0.60533745785359 15.999 > 5 9 O 0.53206281313384 0.12244814902755 0.39466254214641 15.999 > 9 10 O 0.53206281313384 0.62244814902755 0.39466254214641 15.999 > 9 11 O 0.53206281313384 0.12244814902755 0.89466254214641 15.999 > 9 12 O 0.53206281313384 0.62244814902755 0.89466254214641 15.999 > 9 13 O 0.25669483504476 0.00000000000000 0.34859503200728 15.999 > 13 14 O 0.25669483504476 0.50000000000000 0.34859503200728 15.999 > 13 15 O 0.25669483504476 0.00000000000000 0.84859503200728 15.999 > 13 16 O 0.25669483504476 0.50000000000000 0.84859503200728 15.999 > 13 17 O 0.24330516495524 0.25000000000000 0.15140496799272 15.999 > 17 18 O 0.24330516495524 0.75000000000000 0.15140496799272 15.999 > 17 19 O 0.24330516495524 0.25000000000000 0.65140496799272 15.999 > 17 20 O 0.24330516495524 0.75000000000000 0.65140496799272 15.999 > 17 21 O 0.96793718686616 0.37244814902755 0.10533745785359 15.999 > 21 22 O 0.96793718686616 0.87244814902755 0.10533745785359 15.999 > 21 23 O 0.96793718686616 0.37244814902755 0.60533745785359 15.999 > 21 24 O 0.96793718686616 0.87244814902755 0.60533745785359 15.999 > 21 25 O 0.03206281313384 0.12755185097245 0.39466254214641 15.999 > 1 26 O 0.03206281313384 0.62755185097245 0.39466254214641 15.999 > 1 27 O 0.03206281313384 0.12755185097245 0.89466254214641 15.999 > 1 28 O 0.03206281313384 0.62755185097245 0.89466254214641 15.999 > 1 29 O 0.46793718686616 0.37755185097245 0.10533745785359 15.999 > 5 30 O 0.46793718686616 0.87755185097245 0.10533745785359 15.999 > 5 31 O 0.46793718686616 0.37755185097245 0.60533745785359 15.999 > 5 32 O 0.46793718686616 0.87755185097245 0.60533745785359 15.999 > 5 33 O 0.03206281313384 0.37244814902755 0.39466254214641 15.999 > 9 34 O 0.03206281313384 0.87244814902755 0.39466254214641 15.999 > 9 35 O 0.03206281313384 0.37244814902755 0.89466254214641 15.999 > 9 36 O 0.03206281313384 0.87244814902755 0.89466254214641 15.999 > 9 37 O 0.75669483504476 0.25000000000000 0.34859503200728 15.999 > 13 38 O 0.75669483504476 0.75000000000000 0.34859503200728 15.999 > 13 39 O 0.75669483504476 0.25000000000000 0.84859503200728 15.999 > 13 40 O 0.75669483504476 0.75000000000000 0.84859503200728 15.999 > 13 41 O 0.74330516495524 0.00000000000000 0.15140496799272 15.999 > 17 42 O 0.74330516495524 0.50000000000000 0.15140496799272 15.999 > 17 43 O 0.74330516495524 0.00000000000000 0.65140496799272 15.999 > 17 44 O 0.74330516495524 0.50000000000000 0.65140496799272 15.999 > 17 45 O 0.46793718686616 0.12244814902755 0.10533745785359 15.999 > 21 46 O 0.46793718686616 0.62244814902755 0.10533745785359 15.999 > 21 47 O 0.46793718686616 0.12244814902755 0.60533745785359 15.999 > 21 48 O 0.46793718686616 0.62244814902755 0.60533745785359 15.999 > 21 49 Ba 0.74923369923480 0.25000000000000 0.12243712601433 137.327 > 49 50 Ba 0.74923369923480 0.75000000000000 0.12243712601433 137.327 > 49 51 Ba 0.74923369923480 0.25000000000000 0.62243712601432 137.327 > 49 52 Ba 0.74923369923480 0.75000000000000 0.62243712601432 137.327 > 49 53 Ba 0.75076630076520 0.00000000000000 0.37756287398568 137.327 > 53 54 Ba 0.75076630076520 0.50000000000000 0.37756287398568 137.327 > 53 55 Ba 0.75076630076520 0.00000000000000 0.87756287398568 137.327 > 53 56 Ba 0.75076630076520 0.50000000000000 0.87756287398568 137.327 > 53 57 Ba 0.24923369923481 0.00000000000000 0.12243712601433 137.327 > 49 58 Ba 0.24923369923481 0.50000000000000 0.12243712601433 137.327 > 49 59 Ba 0.24923369923481 0.00000000000000 0.62243712601432 137.327 > 49 60 Ba 0.24923369923481 0.50000000000000 0.62243712601432 137.327 > 49 61 Ba 0.25076630076520 0.25000000000000 0.37756287398568 137.327 > 53 62 Ba 0.25076630076520 0.75000000000000 0.37756287398568 137.327 > 53 63 Ba 0.25076630076520 0.25000000000000 0.87756287398568 137.327 > 53 64 Ba 0.25076630076520 0.75000000000000 0.87756287398568 137.327 > 53 65 Tb 0.00000000000000 0.00000000000000 0.25000000000000 158.925 > 65 66 Tb 0.00000000000000 0.50000000000000 0.25000000000000 158.925 > 65 67 Tb 0.00000000000000 0.00000000000000 0.75000000000000 158.925 > 65 68 Tb 0.00000000000000 0.50000000000000 0.75000000000000 158.925 > 65 69 Tb 0.50000000000000 0.25000000000000 0.25000000000000 158.925 > 65 70 Tb 0.50000000000000 0.75000000000000 0.25000000000000 158.925 > 65 71 Tb 0.50000000000000 0.25000000000000 0.75000000000000 158.925 > 65 72 Tb 0.50000000000000 0.75000000000000 0.75000000000000 158.925 > 65 73 Bi 0.00000000000000 0.25000000000000 0.00000000000000 208.980 > 73 74 Bi 0.00000000000000 0.75000000000000 0.00000000000000 208.980 > 73 75 Bi 0.00000000000000 0.25000000000000 0.50000000000000 208.980 > 73 76 Bi 0.00000000000000 0.75000000000000 0.50000000000000 208.980 > 73 77 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 73 78 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 73 79 Bi 0.50000000000000 0.00000000000000 0.50000000000000 208.980 > 73 80 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9669649 0.0000000 -0.0482581 0.0000000 4.9545568 0.0000000 -0.0482623 0.0000000 4.9933919 -------------------------- Born effective charges -------------------------- 1 O -2.2297033 0.4783180 0.3963440 0.4584197 -2.7526172 -0.6404209 0.3964956 -0.5980376 -2.4608270 2 O -2.2297033 -0.4783180 0.3963440 -0.4584197 -2.7526172 0.6404209 0.3964956 0.5980376 -2.4608270 3 O -2.2297033 -0.4783180 0.3963440 -0.4584197 -2.7526172 0.6404209 0.3964956 0.5980376 -2.4608270 4 O -2.9624762 0.0000000 -0.6691866 0.0000000 -1.8807348 0.0000000 -0.7087735 0.0000000 -2.5899130 5 O -2.9624762 0.0000000 -0.6691866 0.0000000 -1.8807348 0.0000000 -0.7087735 0.0000000 -2.5899130 6 O -2.2297033 0.4783180 0.3963440 0.4584197 -2.7526172 -0.6404209 0.3964956 -0.5980376 -2.4608270 7 Ba 2.6581415 0.0000000 -0.0431207 0.0000000 2.6535997 0.0000000 -0.1342933 0.0000000 2.7296384 8 Ba 2.6581415 0.0000000 -0.0431207 0.0000000 2.6535997 0.0000000 -0.1342933 0.0000000 2.7296384 9 Tb 4.5017933 0.0000000 -0.3830908 0.0000000 4.4904294 0.0000000 0.3311725 0.0000000 4.6467705 10 Bi 5.0256894 0.0000000 0.2223297 0.0000000 4.9743095 0.0000000 -0.2310212 0.0000000 4.9170868 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yyy) 0.00000004 (yyy) 0.00000004 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.77, Number of G-points: 307, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/282) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 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 1.571 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.095 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 0.000) 0.000 7.838 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.419 ( 0.000 0.000 0.000) 0.000 9.791 ( 0.000 0.000 0.000) 0.000 16.201 ( 0.000 0.000 0.000) 0.000 16.228 ( 0.000 0.000 0.000) 0.000 16.241 ( 0.000 0.000 0.000) 0.000 16.325 ( 0.000 0.000 0.000) 0.000 16.522 ( 0.000 0.000 0.000) 0.000 20.411 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/282) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 12.983 -20.517 12.511) 27.314 0.667 ( 25.947 -16.922 17.466) 35.562 0.968 ( 15.423 -43.929 11.050) 47.851 1.829 ( 7.333 -17.314 8.435) 20.608 1.910 ( 3.313 -33.704 -0.726) 33.875 2.840 ( -4.414 5.430 -1.697) 7.200 2.910 ( -1.668 -1.125 0.355) 2.043 3.026 ( -2.898 -9.491 -2.995) 10.366 3.082 ( -3.218 1.949 -1.255) 3.966 3.453 ( 4.034 4.890 -1.551) 6.527 3.497 ( -1.699 -5.761 0.108) 6.007 5.061 ( 2.977 -0.970 -4.990) 5.891 5.093 ( 1.858 -1.829 2.753) 3.792 5.299 ( 0.191 1.496 0.542) 1.602 5.447 ( 7.198 -7.210 5.836) 11.741 5.713 ( 1.670 0.356 4.249) 4.579 6.214 ( -2.812 -6.712 -4.733) 8.681 6.903 ( -1.385 5.046 2.849) 5.957 7.250 ( -5.273 -7.057 -4.152) 9.738 7.862 ( -0.465 -1.960 3.770) 4.275 9.187 ( -2.982 -6.362 -2.118) 7.339 9.439 ( 7.877 1.896 3.055) 8.659 9.749 ( -1.948 3.489 -0.201) 4.001 10.113 ( 12.825 3.226 5.462) 14.308 16.065 ( -8.027 3.656 -3.023) 9.324 16.152 ( 1.596 14.664 -2.405) 14.945 16.372 ( 6.209 -1.740 6.143) 8.906 16.654 ( 0.076 -10.112 -0.329) 10.118 18.970 ( -4.027 -4.572 -1.657) 6.314 20.418 ( 0.927 0.080 0.613) 1.115 ======================= Grid point 2 (3/282) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 11.125 -21.025 8.925) 25.406 1.260 ( 19.770 -15.349 13.481) 28.428 1.833 ( 7.729 -37.826 4.123) 38.827 2.225 ( 6.325 -11.223 4.764) 13.735 2.520 ( 1.322 -30.229 3.058) 30.412 2.686 ( -3.918 4.384 -1.189) 5.999 2.971 ( 4.342 -6.893 2.956) 8.666 3.037 ( -1.444 -1.467 0.685) 2.169 3.181 ( 6.684 -6.486 4.665) 10.417 3.401 ( 0.719 1.514 1.364) 2.161 3.622 ( -0.053 -11.632 -3.460) 12.135 5.059 ( 1.911 -1.091 -7.197) 7.526 5.191 ( 6.293 -2.005 3.456) 7.454 5.264 ( -0.738 3.060 0.998) 3.302 5.629 ( -3.282 0.907 0.686) 3.473 5.804 ( 3.192 -11.788 7.220) 14.187 6.325 ( 4.925 -7.131 0.054) 8.667 6.795 ( -1.088 8.248 2.133) 8.588 7.329 ( 1.198 -7.581 -0.606) 7.699 7.953 ( 2.658 -4.857 4.290) 7.004 9.180 ( -5.578 0.354 -3.603) 6.650 9.573 ( 12.987 -1.048 -7.224) 14.898 9.664 ( -4.394 1.613 11.243) 12.178 10.242 ( 6.530 -3.147 3.702) 8.140 15.885 ( -5.658 12.908 4.876) 14.913 15.938 ( 0.223 4.634 -9.757) 10.804 16.479 ( 4.261 -0.425 5.306) 6.818 16.798 ( 0.820 -7.423 -1.507) 7.619 19.013 ( -2.531 -5.395 -0.258) 5.964 20.425 ( 1.111 1.002 0.693) 1.650 ======================= Grid point 3 (4/282) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 7.896 -15.320 4.369) 17.780 1.715 ( 13.349 -11.478 8.616) 19.600 2.230 ( -9.922 -12.237 -6.321) 16.975 2.293 ( -0.847 1.033 -1.654) 2.126 2.594 ( -1.780 3.032 1.711) 3.910 3.001 ( 1.958 -2.371 2.813) 4.167 3.132 ( 8.195 -22.722 7.110) 25.179 3.241 ( 10.062 -8.911 6.097) 14.759 3.404 ( 9.868 -4.717 8.820) 14.051 3.616 ( 4.489 -22.026 3.690) 22.779 3.827 ( 0.318 -15.255 -3.020) 15.555 5.037 ( -0.253 -2.063 -9.145) 9.379 5.198 ( -2.013 3.882 0.671) 4.424 5.287 ( 3.829 0.709 -1.390) 4.135 5.476 ( -5.554 8.802 4.782) 11.454 6.107 ( 2.424 -13.389 3.559) 14.064 6.478 ( 2.979 -2.815 1.512) 4.369 6.669 ( 1.949 6.723 1.336) 7.126 7.538 ( 5.808 -13.056 3.077) 14.617 8.138 ( 5.670 -8.527 6.024) 11.881 9.036 ( -5.640 7.484 -3.615) 10.045 9.441 ( -2.825 8.222 -7.224) 11.304 9.893 ( 8.490 -8.622 9.131) 15.159 10.365 ( 2.887 -3.380 1.820) 4.803 15.659 ( -1.504 12.137 1.769) 12.357 15.833 ( -2.286 1.282 -5.203) 5.826 16.539 ( 2.419 0.620 3.856) 4.594 16.893 ( 0.938 -4.459 -1.697) 4.862 19.094 ( -1.247 -6.239 0.424) 6.377 20.410 ( 0.613 2.312 0.308) 2.411 ======================= Grid point 4 (5/282) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 3.516 -5.506 -0.008) 6.533 1.978 ( 4.110 -3.127 1.774) 5.460 2.179 ( -5.512 -3.451 -2.355) 6.916 2.346 ( 1.710 -5.145 2.567) 5.999 2.537 ( -1.389 2.764 1.539) 3.455 2.880 ( -3.474 6.896 -4.807) 9.095 3.450 ( 4.537 -6.181 3.452) 8.408 3.620 ( 5.476 -4.561 7.345) 10.234 3.825 ( 16.844 -25.835 13.427) 33.637 3.995 ( 6.510 -11.796 -0.267) 13.476 4.061 ( -1.218 -14.038 -0.305) 14.095 4.955 ( -12.612 4.271 -10.455) 16.930 5.090 ( 2.177 5.567 -7.954) 9.950 5.142 ( -3.095 5.704 5.430) 8.461 5.474 ( 3.534 -0.299 4.662) 5.858 6.295 ( -0.226 -6.037 1.045) 6.131 6.428 ( -0.847 6.364 1.121) 6.517 6.690 ( 3.660 -1.568 0.404) 4.003 7.890 ( 7.775 -16.779 5.123) 19.189 8.404 ( 7.261 -9.883 6.404) 13.835 8.788 ( -6.514 11.841 -3.694) 14.010 9.204 ( -5.078 9.457 -6.669) 12.637 10.158 ( 7.267 -7.396 6.173) 12.067 10.413 ( -0.829 -0.436 -0.659) 1.145 15.498 ( -0.585 6.876 0.784) 6.946 15.778 ( -1.328 0.340 -2.498) 2.850 16.563 ( 1.013 0.714 2.009) 2.361 16.943 ( 0.596 -2.017 -1.079) 2.364 19.185 ( -0.277 -4.690 0.515) 4.726 20.372 ( 0.087 2.325 -0.034) 2.327 ======================= Grid point 5 (6/282) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 0.000 -0.000 0.000) 0.000 1.967 ( -0.000 0.000 -0.000) 0.000 2.234 ( -0.000 0.000 0.000) 0.000 2.399 ( 0.000 -0.000 -0.000) 0.000 2.557 ( 0.000 -0.000 0.000) 0.000 2.740 ( -0.000 0.000 -0.000) 0.000 3.537 ( 0.000 -0.000 0.000) 0.000 3.715 ( 0.000 -0.000 -0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.178 ( -0.000 -0.000 0.000) 0.000 4.380 ( -0.000 0.000 -0.000) 0.000 4.582 ( 0.000 -0.000 0.000) 0.000 5.057 ( 0.000 -0.000 0.000) 0.000 5.111 ( -0.000 -0.000 0.000) 0.000 5.516 ( 0.000 -0.000 0.000) 0.000 6.322 ( 0.000 -0.000 0.000) 0.000 6.386 ( 0.000 -0.000 0.000) 0.000 6.725 ( 0.000 -0.000 0.000) 0.000 8.169 ( 0.000 0.000 0.000) 0.000 8.532 ( -0.000 0.000 0.000) 0.000 8.628 ( 0.000 -0.000 0.000) 0.000 9.031 ( 0.000 0.000 -0.000) 0.000 10.325 ( 0.000 -0.000 0.000) 0.000 10.363 ( -0.000 0.000 -0.000) 0.000 15.440 ( 0.000 -0.000 0.000) 0.000 15.761 ( 0.000 -0.000 0.000) 0.000 16.568 ( 0.000 -0.000 0.000) 0.000 16.958 ( 0.000 -0.000 0.000) 0.000 19.228 ( 0.000 -0.000 0.000) 0.000 20.351 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/282) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 12.199 -0.000 12.937) 17.781 0.649 ( 21.728 -0.000 16.008) 26.988 1.275 ( 41.023 -0.000 29.397) 50.468 1.586 ( 2.998 -0.000 1.592) 3.395 1.900 ( 18.516 -0.000 12.813) 22.517 2.815 ( 1.453 -0.000 3.840) 4.106 2.864 ( -4.484 0.000 -2.499) 5.133 2.931 ( 4.403 -0.000 1.048) 4.526 3.053 ( -3.617 0.000 -1.254) 3.828 3.420 ( -0.782 0.000 -3.870) 3.949 3.595 ( 5.193 -0.000 2.050) 5.583 5.062 ( 3.310 -0.000 -1.160) 3.508 5.171 ( 10.269 -0.000 2.585) 10.589 5.313 ( -5.982 0.000 6.752) 9.021 5.505 ( 4.152 -0.000 6.866) 8.024 5.723 ( -1.517 0.000 -14.267) 14.347 6.066 ( 7.265 -0.000 6.926) 10.037 6.956 ( -3.784 0.000 4.045) 5.539 7.117 ( 2.623 -0.000 -0.468) 2.664 7.877 ( 0.123 -0.000 6.069) 6.070 9.096 ( -2.819 0.000 -2.522) 3.783 9.568 ( 12.403 -0.000 2.713) 12.696 9.746 ( -4.640 0.000 0.813) 4.711 10.324 ( 6.716 -0.000 0.081) 6.717 16.209 ( -6.172 0.000 4.303) 7.523 16.225 ( 0.767 -0.000 -1.569) 1.746 16.328 ( -0.948 0.000 1.787) 2.023 16.518 ( 2.077 -0.000 -3.481) 4.053 18.901 ( 1.204 -0.000 0.017) 1.204 20.438 ( 1.632 -0.000 1.097) 1.967 ======================= Grid point 13 (8/282) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 9.171 -16.874 16.851) 25.550 1.063 ( 13.277 -26.509 2.741) 29.775 1.656 ( 17.403 -4.401 10.884) 20.993 2.109 ( 19.350 -28.712 12.646) 36.861 2.216 ( 12.538 -5.635 7.777) 15.794 2.730 ( -4.884 5.536 -1.438) 7.521 2.919 ( 2.876 -5.499 6.406) 8.919 3.026 ( -0.094 -0.733 1.752) 1.901 3.112 ( 6.710 -9.780 3.605) 12.396 3.433 ( -1.629 -6.652 -4.515) 8.203 3.586 ( 7.949 8.584 3.968) 12.354 5.046 ( 0.849 3.224 -4.446) 5.557 5.273 ( -7.252 -1.173 1.518) 7.502 5.287 ( 9.889 0.910 2.549) 10.253 5.600 ( 4.746 -0.373 -2.073) 5.192 5.739 ( 1.932 -8.579 5.705) 10.483 6.272 ( 8.302 -7.041 6.143) 12.499 6.906 ( -2.137 4.765 2.792) 5.922 7.201 ( 2.525 -6.466 -1.437) 7.089 7.952 ( 2.904 -2.706 6.090) 7.269 9.064 ( -5.228 -2.529 -4.491) 7.341 9.635 ( 1.246 3.024 -8.034) 8.674 9.767 ( 8.563 -0.282 12.807) 15.409 10.363 ( 8.061 3.330 4.495) 9.812 15.980 ( -3.882 10.356 3.329) 11.550 16.152 ( 1.993 14.700 -2.823) 15.100 16.421 ( -3.455 -9.927 1.957) 10.691 16.647 ( 1.634 -10.176 -3.116) 10.767 18.939 ( 1.230 -2.434 0.771) 2.834 20.456 ( 1.409 0.602 0.887) 1.770 ======================= Grid point 14 (9/282) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 12.017 -11.169 11.547) 20.062 1.616 ( 2.781 -25.877 1.063) 26.048 1.929 ( 6.163 -6.925 2.531) 9.610 2.300 ( 0.573 1.483 -1.836) 2.428 2.621 ( -3.361 2.540 -0.204) 4.217 2.835 ( 11.313 -27.633 6.668) 30.595 3.021 ( 4.212 -1.821 5.245) 6.969 3.255 ( 12.709 -9.405 9.813) 18.608 3.370 ( 2.270 -13.562 4.174) 14.370 3.559 ( -1.443 -11.002 1.449) 11.191 3.614 ( 16.121 2.368 6.782) 17.649 4.917 ( -9.179 0.516 -10.755) 14.149 5.222 ( -3.364 0.939 -1.826) 3.941 5.357 ( 7.070 2.405 -2.270) 7.805 5.597 ( 3.316 4.925 6.207) 8.589 6.018 ( 6.752 -10.321 10.130) 15.960 6.493 ( 8.278 -4.070 4.954) 10.470 6.809 ( -0.187 6.955 2.015) 7.243 7.368 ( 3.673 -11.906 -0.802) 12.485 8.112 ( 5.744 -6.503 6.873) 11.068 8.988 ( -7.893 0.337 -6.456) 10.202 9.481 ( -5.027 6.422 -6.569) 10.472 9.988 ( 13.764 -2.371 10.973) 17.762 10.426 ( 6.573 2.024 4.767) 8.368 15.835 ( -5.905 7.204 7.802) 12.151 15.908 ( 4.861 13.380 -7.040) 15.881 16.519 ( -2.993 -4.952 0.668) 5.825 16.789 ( 1.452 -7.581 -3.004) 8.283 19.016 ( 1.812 -4.090 2.075) 4.932 20.449 ( 0.348 1.809 0.096) 1.844 ======================= Grid point 15 (10/282) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 6.612 -4.904 5.286) 9.784 1.954 ( -5.485 -14.932 -4.470) 16.524 2.032 ( 8.132 0.080 4.530) 9.309 2.312 ( 2.002 -3.289 2.652) 4.676 2.553 ( -3.113 1.678 -0.913) 3.652 2.904 ( -3.399 3.859 -5.776) 7.734 3.466 ( 8.721 -5.557 3.685) 10.978 3.544 ( 7.448 -19.995 10.226) 23.661 3.686 ( 5.469 -15.033 4.586) 16.642 3.809 ( 1.262 -13.543 1.693) 13.707 3.882 ( 14.127 -9.986 10.179) 20.072 4.735 ( -15.504 -2.968 -13.325) 20.658 5.147 ( 2.735 4.193 -6.157) 7.935 5.297 ( 0.700 8.171 3.067) 8.756 5.608 ( 5.883 5.595 7.710) 11.196 6.281 ( 7.391 -4.918 8.610) 12.367 6.553 ( 0.708 6.482 3.519) 7.410 6.759 ( 6.147 2.624 1.128) 6.779 7.662 ( 4.603 -18.657 0.320) 19.219 8.359 ( 7.273 -9.425 7.225) 13.926 8.808 ( -10.263 5.276 -7.491) 13.758 9.252 ( -6.875 8.537 -6.668) 12.830 10.225 ( 12.192 -2.566 8.920) 15.323 10.461 ( 3.722 3.406 3.005) 5.873 15.658 ( -1.994 12.050 3.301) 12.652 15.796 ( 2.430 2.895 -1.265) 3.986 16.546 ( -3.020 -2.212 -1.066) 3.893 16.884 ( 1.071 -4.745 -2.400) 5.424 19.129 ( 2.649 -4.610 2.815) 6.016 20.406 ( -0.918 2.626 -0.780) 2.889 ======================= Grid point 16 (11/282) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 1.758 -0.259 3.055) 3.534 1.982 ( 1.594 -0.674 0.042) 1.732 2.202 ( 3.568 -5.852 1.723) 7.067 2.381 ( -1.235 0.657 -1.746) 2.237 2.551 ( 0.815 -2.689 3.383) 4.398 2.750 ( -1.927 4.026 -4.799) 6.554 3.588 ( 4.531 0.166 2.048) 4.975 3.728 ( -0.341 1.318 0.540) 1.464 3.921 ( -10.232 -9.026 -1.920) 13.779 4.132 ( 6.876 -15.545 1.837) 17.097 4.263 ( 6.430 -13.588 1.945) 15.158 4.544 ( -9.271 0.781 -3.656) 9.996 5.097 ( 6.745 1.725 -4.511) 8.296 5.199 ( 0.701 7.437 6.486) 9.892 5.595 ( 2.862 6.367 3.838) 7.966 6.408 ( 2.578 5.563 5.746) 8.403 6.458 ( 4.779 3.817 3.446) 7.020 6.783 ( 5.073 3.292 1.076) 6.142 8.014 ( 2.149 -16.741 -1.841) 16.978 8.530 ( -7.173 5.148 -5.962) 10.654 8.610 ( -0.261 -3.436 3.259) 4.743 9.032 ( -3.748 3.614 -3.455) 6.248 10.382 ( 4.043 3.235 2.675) 5.828 10.434 ( 5.412 3.183 4.123) 7.511 15.500 ( -0.528 7.009 1.017) 7.102 15.794 ( 2.712 1.271 2.607) 3.971 16.529 ( -3.385 -1.375 -3.045) 4.756 16.937 ( 0.499 -2.380 -1.334) 2.774 19.235 ( 2.953 -2.036 2.652) 4.461 20.349 ( -1.584 1.405 -1.162) 2.415 ======================= Grid point 17 (12/282) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 0.518 3.992 3.952) 5.641 2.012 ( -1.062 3.626 0.157) 3.782 2.264 ( 5.374 0.785 0.536) 5.458 2.363 ( -1.361 -1.782 -0.630) 2.329 2.495 ( -1.292 2.415 -4.704) 5.443 2.825 ( 3.743 -7.075 3.667) 8.804 3.527 ( -8.252 5.634 -4.682) 11.035 3.587 ( -2.806 7.934 -5.720) 10.176 3.908 ( -9.082 3.538 -3.782) 10.455 4.088 ( -8.791 11.943 -4.053) 15.373 4.254 ( 2.698 5.647 1.171) 6.367 4.845 ( 9.160 -20.638 3.059) 22.786 5.103 ( 0.050 1.842 0.533) 1.918 5.191 ( 5.736 2.993 7.740) 10.088 5.500 ( -0.370 7.422 -0.880) 7.483 6.364 ( 0.865 -0.059 0.738) 1.139 6.482 ( 7.342 8.138 5.888) 12.442 6.745 ( 1.543 5.937 0.483) 6.153 7.968 ( -11.022 9.539 -10.373) 17.891 8.448 ( -5.909 5.973 -3.589) 9.136 8.618 ( 0.388 -11.804 -0.105) 11.811 9.128 ( 3.991 -9.677 4.752) 11.496 10.244 ( -1.850 10.781 -1.862) 11.096 10.492 ( 4.964 3.375 3.516) 6.957 15.441 ( -0.091 0.098 0.223) 0.260 15.836 ( 4.166 0.778 5.014) 6.565 16.490 ( -4.327 -1.660 -4.995) 6.813 16.956 ( -0.009 -0.360 -0.275) 0.454 19.270 ( 2.509 2.986 1.757) 4.278 20.329 ( -1.320 -1.589 -0.870) 2.242 ======================= Grid point 18 (13/282) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -2.333 14.113 1.792) 14.417 1.774 ( -8.533 14.760 -5.616) 17.951 2.295 ( 1.171 -0.854 -0.098) 1.453 2.450 ( 10.977 -1.131 5.875) 12.502 2.516 ( -0.212 -5.589 -3.044) 6.368 2.979 ( 1.682 -4.763 1.945) 5.413 3.219 ( -16.644 10.016 -12.589) 23.148 3.348 ( -2.458 14.964 -2.866) 15.433 3.523 ( -2.988 20.381 -2.918) 20.805 3.876 ( -5.316 13.472 -0.411) 14.489 4.086 ( 0.310 14.657 0.558) 14.671 5.071 ( -0.631 -0.041 -0.392) 0.744 5.226 ( 6.075 -6.193 1.979) 8.898 5.262 ( -0.205 -3.616 11.560) 12.114 5.365 ( 1.769 2.804 -7.120) 7.854 6.368 ( 3.943 16.716 2.941) 17.425 6.444 ( 1.996 -6.646 -0.816) 6.987 6.627 ( -2.612 7.177 -0.331) 7.644 7.615 ( -10.067 10.045 -7.826) 16.233 8.203 ( -5.037 9.874 -4.439) 11.941 8.889 ( 1.432 -15.096 0.832) 15.186 9.363 ( 2.745 -9.706 4.931) 11.227 9.994 ( -2.823 14.172 -3.608) 14.894 10.448 ( 1.239 7.111 0.962) 7.282 15.499 ( 0.107 -6.912 -0.143) 6.914 15.915 ( 6.096 0.413 7.083) 9.355 16.432 ( -6.130 -2.038 -6.865) 9.427 16.944 ( -0.267 1.736 0.367) 1.794 19.219 ( 2.094 6.265 0.924) 6.670 20.356 ( -0.832 -2.997 -0.492) 3.149 ======================= Grid point 19 (14/282) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -10.400 21.684 -7.557) 25.208 1.356 ( -3.768 24.101 -1.230) 24.425 2.316 ( 0.798 6.504 0.728) 6.593 2.380 ( -0.976 26.598 -1.131) 26.640 2.610 ( 2.686 -6.675 -0.027) 7.195 2.838 ( -1.356 8.931 -1.804) 9.212 3.026 ( -3.185 -1.427 -2.963) 4.578 3.048 ( -3.965 12.755 -2.795) 13.646 3.325 ( 4.216 8.786 3.888) 10.493 3.492 ( -4.295 19.591 -3.555) 20.369 3.851 ( -0.219 14.096 1.184) 14.148 5.085 ( -1.206 -1.753 1.913) 2.861 5.182 ( -4.552 5.316 1.286) 7.116 5.282 ( 4.760 2.643 0.888) 5.516 5.543 ( 2.546 -10.869 -1.858) 11.317 6.050 ( -1.107 22.434 -1.410) 22.505 6.418 ( -1.637 9.166 -0.400) 9.320 6.634 ( -0.241 -10.143 -0.898) 10.186 7.394 ( -3.602 4.670 -2.416) 6.373 8.006 ( -2.073 7.054 -2.163) 7.664 9.123 ( 1.227 -11.258 0.475) 11.335 9.551 ( -0.974 -7.081 6.355) 9.564 9.694 ( -0.938 14.904 -6.636) 16.342 10.307 ( -1.223 9.549 -0.626) 9.647 15.661 ( 0.155 -12.440 -0.196) 12.442 16.036 ( 8.511 -0.181 8.957) 12.357 16.342 ( -8.721 -1.825 -8.713) 12.462 16.895 ( -0.227 4.301 0.416) 4.327 19.136 ( 1.785 6.194 0.527) 6.468 20.391 ( -0.523 -2.019 -0.311) 2.109 ======================= Grid point 20 (15/282) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.000 27.863 -0.000) 27.863 0.889 ( -0.000 27.742 -0.000) 27.742 1.686 ( -0.000 46.610 -0.000) 46.610 2.104 ( -0.000 19.861 -0.000) 19.861 2.501 ( -0.000 34.010 -0.000) 34.010 2.771 ( 0.000 -8.230 0.000) 8.230 2.892 ( -0.000 1.858 -0.000) 1.858 3.054 ( 0.000 -3.586 0.000) 3.586 3.134 ( -0.000 7.436 -0.000) 7.436 3.415 ( 0.000 -2.367 0.000) 2.367 3.645 ( -0.000 10.955 -0.000) 10.955 5.083 ( -0.000 3.322 -0.000) 3.322 5.114 ( 0.000 -0.301 0.000) 0.301 5.284 ( -0.000 0.043 -0.000) 0.043 5.595 ( -0.000 10.882 -0.000) 10.882 5.726 ( -0.000 6.897 -0.000) 6.897 6.287 ( -0.000 4.378 -0.000) 4.378 6.790 ( 0.000 -8.451 0.000) 8.451 7.329 ( -0.000 1.570 -0.000) 1.570 7.899 ( -0.000 4.070 -0.000) 4.070 9.292 ( 0.000 -7.799 0.000) 7.799 9.404 ( -0.000 14.368 -0.000) 14.368 9.681 ( 0.000 -5.730 0.000) 5.730 10.131 ( -0.000 9.463 -0.000) 9.463 15.894 ( 0.000 -15.372 0.000) 15.372 16.192 ( 0.000 -0.630 0.000) 0.630 16.218 ( 0.000 -1.176 0.000) 1.176 16.800 ( -0.000 7.375 -0.000) 7.375 19.062 ( -0.000 4.329 -0.000) 4.329 20.408 ( 0.000 -0.621 0.000) 0.621 ======================= Grid point 23 (16/282) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -0.987 0.000 3.524) 3.660 1.239 ( 18.154 -0.000 14.577) 23.282 1.813 ( 13.854 -0.000 6.824) 15.443 2.232 ( 24.458 -0.000 15.238) 28.817 2.320 ( 6.485 -0.000 2.530) 6.961 2.700 ( -7.180 0.000 -4.435) 8.439 2.994 ( 8.458 -0.000 11.084) 13.943 3.045 ( 2.100 -0.000 3.955) 4.478 3.152 ( 13.455 -0.000 10.471) 17.049 3.321 ( -2.735 0.000 -5.670) 6.295 3.780 ( 10.539 -0.000 5.970) 12.113 5.045 ( -24.085 0.000 -7.612) 25.260 5.123 ( 5.029 -0.000 -1.955) 5.395 5.403 ( 11.448 -0.000 -4.262) 12.216 5.684 ( 9.759 -0.000 4.407) 10.708 5.731 ( 8.480 -0.000 7.750) 11.488 6.378 ( 9.906 -0.000 13.511) 16.753 6.942 ( -2.152 0.000 2.294) 3.145 7.183 ( 5.097 -0.000 -0.627) 5.135 8.005 ( 4.421 -0.000 6.378) 7.760 8.958 ( -6.106 0.000 -5.483) 8.207 9.590 ( -5.009 0.000 -6.221) 7.987 9.962 ( 14.853 -0.000 10.963) 18.461 10.498 ( 7.381 -0.000 5.000) 8.915 16.138 ( -6.926 0.000 4.398) 8.204 16.216 ( 1.036 -0.000 -2.209) 2.439 16.336 ( -1.341 0.000 2.561) 2.891 16.501 ( 1.993 -0.000 -4.734) 5.137 18.955 ( 3.854 -0.000 1.135) 4.017 20.479 ( 1.013 -0.000 0.569) 1.162 ======================= Grid point 24 (17/282) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -4.173 -31.970 0.029) 32.241 1.538 ( 14.982 -5.136 11.778) 19.737 2.031 ( 13.555 -2.149 6.896) 15.360 2.319 ( -0.807 2.093 -1.915) 2.950 2.590 ( -6.852 -1.632 1.092) 7.128 2.616 ( 11.893 -12.797 0.343) 17.473 3.093 ( 6.654 -0.493 5.749) 8.807 3.216 ( 4.965 -8.894 4.241) 11.033 3.289 ( -1.731 -4.491 -4.469) 6.568 3.480 ( 16.789 -5.851 17.489) 24.940 3.916 ( 15.533 4.169 11.900) 20.006 4.695 ( -24.090 1.743 -14.831) 28.343 5.183 ( 3.042 -1.942 -2.616) 4.458 5.447 ( 7.879 1.900 -4.163) 9.111 5.802 ( 10.763 4.418 9.093) 14.766 5.979 ( 9.510 -10.837 9.108) 17.054 6.586 ( 8.975 -1.774 12.892) 15.808 6.906 ( -0.806 3.686 1.620) 4.107 7.267 ( 5.677 -4.542 -0.727) 7.306 8.129 ( 6.433 -3.721 6.399) 9.807 8.856 ( -8.415 -0.581 -7.508) 11.292 9.460 ( -7.563 3.403 -6.107) 10.299 10.184 ( 15.646 -0.298 10.283) 18.724 10.579 ( 7.233 2.944 5.880) 9.775 15.974 ( -2.470 9.116 4.601) 10.506 16.151 ( 1.847 14.744 -2.687) 15.100 16.354 ( -4.406 -9.388 0.121) 10.371 16.632 ( 0.822 -10.421 -2.485) 10.745 19.018 ( 4.421 -1.535 2.194) 5.168 20.477 ( 0.010 1.254 -0.176) 1.266 ======================= Grid point 25 (18/282) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -5.552 -26.284 -2.054) 26.943 1.802 ( 9.528 -4.067 6.108) 12.026 2.181 ( 9.713 2.112 5.214) 11.225 2.299 ( 0.897 -1.766 2.234) 2.986 2.523 ( -3.898 0.020 -2.084) 4.420 2.847 ( -1.585 -4.050 -4.180) 6.032 3.347 ( 7.578 -13.175 -8.528) 17.428 3.361 ( 1.145 -14.094 9.416) 16.988 3.470 ( 3.145 -15.239 2.445) 15.751 3.796 ( 8.508 -1.138 11.968) 14.728 4.080 ( 12.031 4.931 11.685) 17.481 4.412 ( -16.204 -6.254 -11.299) 20.721 5.198 ( 4.540 1.676 -3.710) 6.098 5.435 ( 3.924 4.490 -0.375) 5.975 5.854 ( 9.168 8.106 8.323) 14.800 6.323 ( 10.138 -9.818 10.741) 17.736 6.700 ( 1.909 5.444 7.157) 9.192 6.875 ( 5.798 2.317 2.341) 6.668 7.442 ( 5.215 -11.399 -0.658) 12.552 8.335 ( 7.567 -7.509 6.461) 12.466 8.698 ( -11.191 1.754 -9.595) 14.845 9.256 ( -9.092 6.312 -6.183) 12.678 10.394 ( 13.656 0.015 8.760) 16.224 10.613 ( 5.696 5.189 5.113) 9.247 15.874 ( -4.641 8.712 11.865) 15.434 15.907 ( 6.024 11.499 -7.936) 15.215 16.426 ( -4.522 -5.661 -2.640) 7.712 16.775 ( 0.715 -7.722 -2.083) 8.030 19.120 ( 4.454 -3.361 3.221) 6.443 20.433 ( -1.235 2.735 -1.049) 3.179 ======================= Grid point 26 (19/282) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -3.666 -12.341 -1.442) 12.955 1.957 ( 5.643 -3.948 2.852) 7.455 2.237 ( 5.019 2.503 4.247) 7.035 2.375 ( 0.535 -0.672 -0.499) 0.993 2.536 ( 2.504 -3.779 4.309) 6.255 2.761 ( -2.852 4.181 -5.815) 7.709 3.490 ( -2.032 -13.298 -4.830) 14.294 3.687 ( -13.248 3.118 -10.089) 16.942 3.729 ( -1.728 -10.066 4.581) 11.194 3.879 ( 8.560 -23.059 0.804) 24.610 4.189 ( 6.325 -1.972 7.227) 9.805 4.456 ( 0.204 -3.687 4.597) 5.897 5.180 ( 6.717 3.416 -3.654) 8.375 5.381 ( 2.609 6.541 4.357) 8.281 5.815 ( 5.759 10.836 5.169) 13.315 6.588 ( 0.378 8.979 4.839) 10.207 6.606 ( 9.959 -1.387 9.472) 13.814 6.920 ( 7.329 3.877 2.365) 8.622 7.722 ( 2.762 -17.319 -2.075) 17.660 8.459 ( -12.626 4.309 -9.990) 16.667 8.571 ( 5.063 -6.656 4.638) 9.563 9.025 ( -7.690 5.273 -4.752) 10.465 10.527 ( 6.864 4.489 4.311) 9.266 10.598 ( 6.440 5.059 5.240) 9.722 15.665 ( -0.657 12.397 1.093) 12.463 15.882 ( 3.898 2.344 4.596) 6.466 16.425 ( -4.794 -2.886 -4.790) 7.367 16.872 ( 0.541 -4.926 -1.527) 5.185 19.245 ( 4.138 -3.573 3.382) 6.428 20.358 ( -2.077 2.997 -1.572) 3.971 ======================= Grid point 27 (20/282) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 0.248 -4.316 1.628) 4.620 2.053 ( 0.517 0.799 0.989) 1.373 2.277 ( 1.152 -1.590 2.191) 2.942 2.372 ( 6.442 1.056 1.107) 6.621 2.528 ( -3.119 6.317 -3.825) 8.017 2.773 ( 3.951 -6.340 3.018) 8.057 3.353 ( -20.375 2.735 -14.843) 25.357 3.657 ( 0.890 -8.283 -2.749) 8.773 3.827 ( -1.500 0.976 4.037) 4.416 4.160 ( -0.722 2.682 -3.201) 4.238 4.305 ( 3.472 -3.015 3.229) 5.619 4.606 ( 2.455 -15.290 3.740) 15.931 5.158 ( 3.288 3.525 -1.750) 5.128 5.365 ( 5.091 4.338 7.608) 10.130 5.681 ( 2.541 12.386 0.854) 12.673 6.442 ( -0.799 7.837 1.830) 8.087 6.760 ( 12.113 6.168 10.312) 17.062 6.897 ( 4.491 7.350 1.190) 8.695 7.860 ( -9.591 -1.113 -10.790) 14.479 8.332 ( -3.368 -9.889 -1.634) 10.574 8.561 ( -4.835 7.319 -3.156) 9.322 9.026 ( 1.811 -9.074 2.319) 9.539 10.424 ( 1.004 11.319 0.734) 11.387 10.639 ( 5.880 4.257 4.031) 8.303 15.502 ( -0.275 7.052 0.372) 7.067 15.938 ( 5.231 0.993 6.775) 8.617 16.373 ( -5.480 -1.645 -6.658) 8.779 16.929 ( 0.229 -2.581 -0.725) 2.691 19.337 ( 3.091 -0.282 2.467) 3.965 20.295 ( -1.850 0.574 -1.311) 2.339 ======================= Grid point 28 (21/282) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -1.748 9.266 -0.568) 9.446 1.944 ( -0.550 7.932 1.530) 8.097 2.286 ( -1.050 1.207 -0.443) 1.660 2.408 ( -0.455 -2.501 -3.405) 4.249 2.550 ( 11.576 -3.966 6.681) 13.942 2.919 ( 0.503 -4.821 1.404) 5.047 3.056 ( -15.242 0.259 -11.382) 19.024 3.591 ( 0.575 14.707 0.029) 14.719 3.830 ( 2.550 10.654 -1.471) 11.053 3.919 ( -7.026 6.378 0.079) 9.490 4.297 ( 0.781 8.501 0.378) 8.546 4.976 ( 3.592 -20.895 -0.512) 21.208 5.104 ( -0.753 3.692 0.879) 3.869 5.401 ( 1.416 3.569 9.094) 9.871 5.488 ( 2.573 11.660 -4.477) 12.752 6.379 ( 0.131 -0.495 0.334) 0.612 6.734 ( 5.849 16.080 6.921) 18.458 6.782 ( 2.770 10.714 -0.727) 11.090 7.593 ( -10.258 6.669 -8.479) 14.886 8.310 ( -2.794 10.457 -2.307) 11.067 8.616 ( -0.326 -18.092 -0.002) 18.095 9.238 ( 1.751 -10.911 2.120) 11.252 10.212 ( -0.251 14.657 -0.455) 14.667 10.600 ( 2.159 7.315 1.480) 7.769 15.441 ( -0.093 0.105 0.084) 0.163 16.036 ( 6.764 0.145 8.206) 10.636 16.289 ( -6.771 -1.231 -8.122) 10.646 16.953 ( 0.010 -0.528 -0.126) 0.543 19.335 ( 1.484 4.410 1.027) 4.765 20.295 ( -0.795 -2.674 -0.521) 2.838 ======================= Grid point 29 (22/282) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -0.000 19.016 -0.000) 19.016 1.718 ( -0.000 20.042 -0.000) 20.042 2.320 ( 0.000 -3.699 0.000) 3.699 2.477 ( 0.000 -6.779 0.000) 6.779 2.696 ( -0.000 4.024 -0.000) 4.024 2.863 ( -0.000 0.366 -0.000) 0.366 3.011 ( -0.000 0.748 -0.000) 0.748 3.298 ( -0.000 18.900 -0.000) 18.900 3.500 ( -0.000 16.938 -0.000) 16.938 3.812 ( -0.000 13.926 -0.000) 13.926 4.092 ( -0.000 14.775 -0.000) 14.775 5.059 ( -0.000 0.408 -0.000) 0.408 5.296 ( -0.000 8.398 -0.000) 8.398 5.313 ( 0.000 -15.969 0.000) 15.969 5.380 ( -0.000 4.302 -0.000) 4.302 6.441 ( -0.000 23.751 -0.000) 23.751 6.464 ( 0.000 -8.678 0.000) 8.678 6.594 ( -0.000 12.073 -0.000) 12.073 7.430 ( -0.000 4.347 -0.000) 4.347 8.122 ( -0.000 9.267 -0.000) 9.267 8.901 ( 0.000 -15.832 0.000) 15.832 9.425 ( 0.000 -9.685 0.000) 9.685 9.945 ( -0.000 16.747 -0.000) 16.747 10.469 ( -0.000 9.782 -0.000) 9.782 15.498 ( 0.000 -6.934 0.000) 6.934 16.163 ( 0.000 -1.066 0.000) 1.066 16.185 ( 0.000 -0.556 0.000) 0.556 16.944 ( -0.000 1.647 -0.000) 1.647 19.252 ( -0.000 6.410 -0.000) 6.410 20.343 ( 0.000 -3.242 0.000) 3.242 ======================= Grid point 34 (23/282) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -4.004 0.000 0.632) 4.054 1.706 ( 12.114 -0.000 10.401) 15.967 2.163 ( 10.026 -0.000 2.450) 10.321 2.323 ( 1.059 -0.000 0.295) 1.100 2.504 ( -7.419 0.000 -0.423) 7.431 2.615 ( 7.757 -0.000 0.604) 7.781 3.155 ( -0.290 0.000 -7.658) 7.663 3.201 ( 4.261 -0.000 3.554) 5.548 3.212 ( 2.776 -0.000 3.450) 4.429 3.777 ( 20.474 -0.000 22.588) 30.486 4.170 ( 13.329 -0.000 8.045) 15.569 4.348 ( -26.642 0.000 -12.867) 29.586 5.193 ( 5.265 -0.000 -2.464) 5.813 5.503 ( 6.526 -0.000 -4.377) 7.857 6.006 ( 10.794 -0.000 4.709) 11.776 6.049 ( 12.470 -0.000 12.675) 17.781 6.757 ( 7.655 -0.000 15.907) 17.654 6.934 ( -0.741 0.000 0.397) 0.841 7.298 ( 7.419 -0.000 0.613) 7.445 8.204 ( 7.654 -0.000 5.427) 9.383 8.712 ( -9.609 0.000 -8.805) 13.033 9.366 ( -9.503 0.000 -6.023) 11.251 10.396 ( 15.033 -0.000 9.179) 17.614 10.713 ( 6.617 -0.000 5.937) 8.890 16.083 ( -3.387 0.000 2.321) 4.106 16.206 ( 0.854 -0.000 -1.930) 2.111 16.345 ( -1.175 0.000 2.280) 2.565 16.471 ( -0.056 0.000 -2.215) 2.216 19.065 ( 4.922 -0.000 1.896) 5.274 20.484 ( -0.463 0.000 -0.530) 0.704 ======================= Grid point 35 (24/282) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -3.571 -29.517 -0.665) 29.740 1.874 ( 6.737 -1.902 4.951) 8.574 2.214 ( -0.208 -3.377 -2.459) 4.183 2.391 ( 6.667 2.189 7.301) 10.127 2.474 ( -0.473 -1.540 0.475) 1.680 2.727 ( 1.477 -6.194 -0.843) 6.423 3.127 ( -2.906 -6.399 -9.084) 11.486 3.303 ( 6.164 -4.656 3.432) 8.453 3.319 ( 2.428 -7.837 1.999) 8.445 3.867 ( -18.386 5.682 -12.055) 22.708 4.175 ( 6.943 -5.933 13.678) 16.446 4.386 ( 13.631 3.253 11.644) 18.220 5.232 ( 5.033 -0.530 -2.491) 5.641 5.515 ( 4.178 1.812 -2.329) 5.115 6.117 ( 10.463 4.695 5.047) 12.529 6.309 ( 10.001 -9.292 11.021) 17.545 6.853 ( 0.529 5.528 5.530) 7.837 6.963 ( 5.294 -1.266 6.011) 8.109 7.402 ( 7.960 -2.479 2.231) 8.630 8.351 ( 8.336 -4.186 4.904) 10.539 8.543 ( -11.310 0.860 -10.531) 15.478 9.201 ( -10.702 3.287 -5.816) 12.616 10.582 ( 12.502 0.548 7.429) 14.553 10.777 ( 5.130 3.584 5.050) 8.041 16.009 ( 0.690 5.189 2.965) 6.016 16.150 ( 0.322 15.132 -0.471) 15.143 16.272 ( -3.077 -5.828 -1.286) 6.715 16.615 ( -0.167 -10.668 -0.780) 10.698 19.138 ( 4.316 -1.909 2.127) 5.176 20.456 ( -1.047 1.986 -0.930) 2.430 ======================= Grid point 36 (25/282) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -3.019 -24.793 -1.387) 25.014 1.973 ( 3.742 -2.843 1.836) 5.045 2.268 ( -1.131 -4.183 -1.853) 4.713 2.446 ( 5.213 3.710 7.065) 9.531 2.546 ( 5.005 -2.579 4.306) 7.088 2.748 ( -2.617 1.275 -4.236) 5.140 3.190 ( -4.732 -12.013 -6.933) 14.655 3.480 ( -16.442 0.676 -15.094) 22.330 3.529 ( -0.846 -11.990 1.127) 12.072 3.603 ( 5.108 -18.221 2.835) 19.134 4.375 ( 7.195 3.840 13.172) 15.492 4.511 ( 7.220 1.012 5.458) 9.107 5.264 ( 5.327 1.317 -1.715) 5.749 5.499 ( 2.338 2.839 0.858) 3.777 6.097 ( 6.719 11.219 3.908) 13.648 6.660 ( 8.002 -11.591 10.567) 17.608 6.753 ( 0.333 7.679 1.092) 7.763 7.056 ( 5.714 1.782 3.995) 7.196 7.559 ( 6.268 -6.028 2.233) 8.979 8.320 ( -12.651 2.649 -10.885) 16.898 8.554 ( 7.798 -6.202 3.859) 10.685 8.990 ( -10.305 4.837 -4.912) 12.398 10.697 ( 7.639 3.570 4.351) 9.488 10.767 ( 3.972 5.209 3.967) 7.659 15.895 ( 0.309 15.067 -0.739) 15.088 15.993 ( 2.413 2.591 6.099) 7.052 16.297 ( -3.728 -3.318 -4.447) 6.684 16.763 ( 0.136 -7.807 -0.815) 7.851 19.238 ( 3.319 -3.855 2.222) 5.551 20.388 ( -1.438 3.711 -1.145) 4.141 ======================= Grid point 37 (26/282) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -1.309 -15.468 -0.662) 15.537 2.057 ( 0.765 -1.719 0.651) 1.991 2.327 ( 4.597 -1.977 2.170) 5.454 2.464 ( 4.105 2.691 4.348) 6.557 2.575 ( -3.394 5.825 -2.904) 7.341 2.728 ( 2.925 -5.078 1.679) 6.096 3.123 ( -15.376 3.469 -11.063) 19.257 3.393 ( -2.030 -15.477 -3.437) 15.983 3.785 ( 0.438 -11.654 1.510) 11.759 4.005 ( 3.442 -20.261 0.057) 20.551 4.387 ( 3.172 6.098 5.409) 8.747 4.539 ( 0.602 2.008 1.555) 2.610 5.249 ( 2.750 4.344 -0.926) 5.224 5.494 ( 2.359 2.113 3.027) 4.381 5.941 ( 2.594 14.546 1.135) 14.819 6.597 ( -0.789 9.735 1.145) 9.834 6.972 ( 9.154 -4.674 9.237) 13.819 7.057 ( 3.665 5.572 0.889) 6.729 7.683 ( -2.558 -3.145 -4.206) 5.842 8.144 ( -6.213 -4.033 -4.909) 8.887 8.642 ( -0.065 6.563 -0.621) 6.593 8.895 ( -1.968 -7.633 -0.080) 7.883 10.624 ( 1.482 10.247 1.151) 10.417 10.774 ( 3.655 3.498 2.523) 5.653 15.664 ( -0.109 12.327 0.048) 12.328 16.045 ( 4.350 0.458 6.659) 7.967 16.255 ( -4.569 -1.084 -6.279) 7.841 16.865 ( 0.139 -5.013 -0.467) 5.037 19.342 ( 1.896 -3.573 1.465) 4.302 20.306 ( -1.111 3.399 -0.827) 3.670 ======================= Grid point 38 (27/282) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.000 -8.384 0.000) 8.384 2.030 ( -0.000 4.716 -0.000) 4.716 2.380 ( -0.000 1.113 -0.000) 1.113 2.385 ( -0.000 8.602 -0.000) 8.602 2.574 ( 0.000 -5.851 0.000) 5.851 2.853 ( 0.000 -6.788 0.000) 6.788 2.916 ( -0.000 4.271 -0.000) 4.271 3.634 ( 0.000 -13.230 0.000) 13.230 3.847 ( -0.000 4.704 -0.000) 4.704 4.136 ( -0.000 8.931 -0.000) 8.931 4.369 ( -0.000 0.729 -0.000) 0.729 4.650 ( 0.000 -17.638 0.000) 17.638 5.177 ( -0.000 4.856 -0.000) 4.856 5.487 ( -0.000 2.321 -0.000) 2.321 5.709 ( -0.000 14.671 -0.000) 14.671 6.446 ( -0.000 7.685 -0.000) 7.685 6.952 ( -0.000 9.143 -0.000) 9.143 7.039 ( -0.000 8.725 -0.000) 8.725 7.583 ( -0.000 4.360 -0.000) 4.360 8.312 ( 0.000 -17.119 0.000) 17.119 8.468 ( -0.000 10.805 -0.000) 10.805 9.068 ( 0.000 -11.330 0.000) 11.330 10.441 ( -0.000 12.961 -0.000) 12.961 10.725 ( -0.000 5.581 -0.000) 5.581 15.501 ( -0.000 7.036 -0.000) 7.036 16.125 ( 0.000 -1.151 0.000) 1.151 16.186 ( -0.000 0.461 -0.000) 0.461 16.926 ( 0.000 -2.647 0.000) 2.647 19.388 ( -0.000 0.241 -0.000) 0.241 20.265 ( -0.000 0.207 -0.000) 0.207 ======================= Grid point 45 (28/282) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -2.304 0.000 0.292) 2.323 1.921 ( 1.871 -0.000 1.339) 2.301 2.139 ( -2.266 0.000 -3.435) 4.115 2.475 ( 1.600 -0.000 6.350) 6.549 2.529 ( 7.828 -0.000 4.441) 9.000 2.691 ( 0.977 -0.000 -0.013) 0.977 2.982 ( -3.435 0.000 -8.830) 9.474 3.285 ( 1.488 -0.000 1.297) 1.974 3.329 ( 4.661 -0.000 -1.411) 4.870 3.587 ( -22.367 0.000 -12.352) 25.551 4.363 ( 11.703 -0.000 15.432) 19.368 4.604 ( 9.539 -0.000 9.232) 13.275 5.251 ( 4.070 -0.000 -2.224) 4.638 5.547 ( 3.000 -0.000 -2.248) 3.749 6.236 ( 8.010 -0.000 1.583) 8.165 6.427 ( 8.793 -0.000 11.443) 14.431 6.913 ( -0.198 0.000 -2.671) 2.678 7.047 ( 3.641 -0.000 9.484) 10.159 7.502 ( 9.344 -0.000 6.292) 11.265 8.368 ( -11.518 0.000 -11.095) 15.992 8.428 ( 9.055 -0.000 3.717) 9.789 9.086 ( -11.106 0.000 -5.153) 12.243 10.737 ( 9.583 -0.000 5.430) 11.015 10.879 ( 3.297 -0.000 3.710) 4.963 16.071 ( -0.122 0.000 0.449) 0.466 16.198 ( 0.458 -0.000 -1.091) 1.183 16.352 ( -0.665 0.000 1.306) 1.466 16.446 ( -0.992 0.000 0.192) 1.011 19.168 ( 3.105 -0.000 1.219) 3.336 20.460 ( -0.801 0.000 -0.723) 1.079 ======================= Grid point 46 (29/282) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -1.282 -28.106 -0.243) 28.137 1.951 ( 0.585 -2.732 0.010) 2.794 2.149 ( -1.496 -5.217 -1.773) 5.710 2.565 ( 3.899 -0.784 7.870) 8.818 2.614 ( 5.000 0.519 2.505) 5.616 2.700 ( -2.062 -1.214 -2.373) 3.369 2.948 ( -3.375 -6.392 -6.410) 9.661 3.284 ( -8.693 1.541 -10.641) 13.826 3.364 ( 0.281 -7.510 0.448) 7.528 3.444 ( -0.444 -5.997 2.702) 6.593 4.537 ( 5.100 -0.689 8.803) 10.197 4.669 ( 4.761 5.699 3.369) 8.155 5.289 ( 2.744 -1.607 -0.934) 3.314 5.546 ( 1.326 1.207 -0.710) 1.928 6.306 ( 4.637 3.126 0.985) 5.679 6.593 ( 4.421 -6.907 7.609) 11.187 6.851 ( -0.266 4.420 -2.137) 4.917 7.129 ( 2.373 -0.582 3.404) 4.189 7.635 ( 8.110 0.293 7.061) 10.757 8.176 ( -10.025 1.817 -9.678) 14.052 8.568 ( 7.777 -4.106 2.844) 9.243 8.930 ( -9.205 3.161 -3.766) 10.436 10.829 ( 5.672 1.363 2.868) 6.501 10.886 ( 0.874 3.754 1.813) 4.260 16.063 ( 2.248 1.462 -0.147) 2.686 16.153 ( -1.874 14.575 3.103) 15.019 16.209 ( -0.616 -1.397 -2.497) 2.927 16.606 ( -0.222 -10.749 -0.031) 10.751 19.217 ( 1.651 -2.497 0.793) 3.097 20.428 ( -0.578 2.559 -0.493) 2.670 ======================= Grid point 47 (30/282) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 0.000 -24.364 0.000) 24.364 2.017 ( 0.000 -3.830 0.000) 3.830 2.250 ( 0.000 -7.979 0.000) 7.979 2.602 ( -0.000 3.993 -0.000) 3.993 2.616 ( -0.000 5.238 -0.000) 5.238 2.681 ( 0.000 -3.221 0.000) 3.221 3.035 ( 0.000 -5.518 0.000) 5.518 3.173 ( 0.000 -2.947 0.000) 2.947 3.554 ( 0.000 -14.388 0.000) 14.388 3.675 ( 0.000 -19.148 0.000) 19.148 4.566 ( -0.000 9.251 -0.000) 9.251 4.590 ( -0.000 1.435 -0.000) 1.435 5.311 ( -0.000 1.183 -0.000) 1.183 5.532 ( -0.000 0.923 -0.000) 0.923 6.191 ( -0.000 12.604 -0.000) 12.604 6.742 ( -0.000 7.620 -0.000) 7.620 6.849 ( 0.000 -15.654 0.000) 15.654 7.142 ( -0.000 2.073 -0.000) 2.073 7.690 ( -0.000 2.019 -0.000) 2.019 8.051 ( -0.000 0.663 -0.000) 0.663 8.732 ( 0.000 -8.197 0.000) 8.197 8.773 ( -0.000 6.997 -0.000) 6.997 10.789 ( -0.000 7.919 -0.000) 7.919 10.846 ( -0.000 2.061 -0.000) 2.061 15.892 ( -0.000 14.916 -0.000) 14.916 16.094 ( 0.000 -0.573 0.000) 0.573 16.197 ( -0.000 0.050 -0.000) 0.050 16.758 ( 0.000 -7.836 0.000) 7.836 19.287 ( 0.000 -4.301 0.000) 4.301 20.364 ( -0.000 4.196 -0.000) 4.196 ======================= Grid point 58 (31/282) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 -0.000 0.000) 0.000 1.922 ( 0.000 -0.000 0.000) 0.000 2.089 ( 0.000 -0.000 -0.000) 0.000 2.629 ( 0.000 -0.000 0.000) 0.000 2.639 ( 0.000 -0.000 0.000) 0.000 2.653 ( -0.000 0.000 -0.000) 0.000 2.856 ( 0.000 -0.000 -0.000) 0.000 3.222 ( 0.000 -0.000 0.000) 0.000 3.306 ( 0.000 -0.000 0.000) 0.000 3.409 ( 0.000 -0.000 0.000) 0.000 4.584 ( 0.000 -0.000 -0.000) 0.000 4.761 ( 0.000 -0.000 0.000) 0.000 5.278 ( 0.000 -0.000 0.000) 0.000 5.560 ( 0.000 -0.000 0.000) 0.000 6.327 ( 0.000 -0.000 0.000) 0.000 6.617 ( 0.000 -0.000 0.000) 0.000 6.873 ( 0.000 -0.000 0.000) 0.000 7.142 ( 0.000 -0.000 0.000) 0.000 7.722 ( 0.000 -0.000 -0.000) 0.000 8.096 ( -0.000 0.000 -0.000) 0.000 8.586 ( 0.000 -0.000 0.000) 0.000 8.893 ( 0.000 -0.000 0.000) 0.000 10.878 ( 0.000 -0.000 0.000) 0.000 10.927 ( 0.000 -0.000 0.000) 0.000 16.075 ( 0.000 -0.000 0.000) 0.000 16.195 ( -0.000 0.000 0.000) 0.000 16.355 ( 0.000 -0.000 -0.000) 0.000 16.439 ( 0.000 -0.000 0.000) 0.000 19.206 ( 0.000 -0.000 0.000) 0.000 20.446 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/282) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 6.087 -0.000 24.652) 25.392 0.611 ( 7.733 -0.000 29.393) 30.394 1.051 ( -1.113 0.000 51.019) 51.031 1.716 ( -5.149 0.000 11.753) 12.832 1.865 ( -8.173 0.000 24.822) 26.133 2.822 ( 0.818 -0.000 6.842) 6.891 2.893 ( 1.079 -0.000 -3.316) 3.487 2.908 ( -0.833 0.000 0.582) 1.017 3.063 ( 0.371 -0.000 -5.573) 5.585 3.197 ( 19.164 -0.000 3.529) 19.486 3.530 ( -4.550 0.000 -13.522) 14.267 5.018 ( 5.087 -0.000 -2.456) 5.649 5.041 ( -2.016 0.000 0.001) 2.016 5.203 ( 5.987 -0.000 4.213) 7.321 5.440 ( 5.295 -0.000 1.478) 5.497 5.917 ( -8.372 0.000 -0.097) 8.373 6.029 ( 2.635 -0.000 9.109) 9.483 7.077 ( 0.697 -0.000 -1.649) 1.790 7.156 ( -10.204 0.000 4.989) 11.358 7.524 ( 24.457 -0.000 1.403) 24.497 9.104 ( -0.227 0.000 -3.472) 3.480 9.399 ( 4.719 -0.000 -2.546) 5.362 9.874 ( -3.769 0.000 8.462) 9.263 10.698 ( -29.023 0.000 5.133) 29.473 16.006 ( 9.472 -0.000 -13.766) 16.710 16.008 ( 2.740 -0.000 -14.235) 14.497 16.503 ( 15.963 -0.000 8.852) 18.253 16.503 ( -6.221 0.000 9.504) 11.360 19.102 ( -14.711 0.000 3.081) 15.030 20.407 ( 1.516 -0.000 -0.471) 1.587 ======================= Grid point 106 (33/282) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 7.931 -13.951 19.382) 25.163 1.034 ( 10.303 -18.192 19.685) 28.716 1.543 ( 7.878 -13.273 36.814) 39.919 1.980 ( 2.666 -20.752 8.696) 22.658 2.184 ( -3.345 -21.187 20.332) 29.555 2.805 ( -2.550 5.006 -1.132) 5.731 2.937 ( 0.318 -2.834 3.706) 4.676 2.984 ( 5.836 -3.695 -1.834) 7.147 3.031 ( -0.010 -4.037 -1.184) 4.207 3.374 ( 15.070 2.677 2.046) 15.442 3.469 ( -6.041 -8.217 -8.176) 13.071 4.986 ( 1.093 2.361 -3.499) 4.361 5.092 ( 5.084 -2.663 -3.802) 6.885 5.309 ( 6.676 0.250 3.527) 7.555 5.583 ( 2.539 -7.877 4.713) 9.524 5.770 ( -4.608 1.616 -0.647) 4.926 6.209 ( 4.591 -5.425 9.391) 11.777 7.042 ( -6.062 4.602 8.572) 11.463 7.187 ( -3.295 -8.078 -2.017) 8.954 7.749 ( 16.890 -4.034 -5.381) 18.180 9.100 ( -2.274 -3.487 -6.260) 7.518 9.428 ( 9.374 2.178 -4.282) 10.533 9.892 ( -5.719 0.250 12.756) 13.981 10.454 ( -10.659 7.742 17.122) 21.603 15.851 ( 3.016 4.976 -12.707) 13.976 16.209 ( 9.193 -10.218 -14.168) 19.740 16.357 ( -6.102 11.571 9.551) 16.197 16.662 ( 5.827 -1.925 5.038) 7.940 19.041 ( -9.399 -3.281 5.376) 11.314 20.422 ( 2.149 0.195 -0.290) 2.177 ======================= Grid point 107 (34/282) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 9.815 -13.468 14.105) 21.833 1.531 ( 10.814 -15.244 12.266) 22.356 1.999 ( -6.549 -17.832 10.994) 21.949 2.268 ( 2.512 -3.733 1.882) 4.877 2.629 ( -1.116 -9.449 -0.671) 9.538 2.792 ( 0.451 -15.197 10.152) 18.282 2.961 ( 3.361 0.189 -2.300) 4.077 3.114 ( 7.555 -7.674 6.866) 12.771 3.285 ( 13.726 -10.284 8.008) 18.929 3.447 ( 2.245 -4.951 5.249) 7.557 3.607 ( -1.815 -12.418 3.454) 13.017 4.920 ( -0.566 1.369 -7.431) 7.577 5.154 ( 6.600 -1.239 -7.034) 9.725 5.321 ( -0.256 4.346 3.517) 5.597 5.635 ( -3.810 1.641 0.840) 4.232 5.907 ( 7.780 -12.205 1.749) 14.579 6.418 ( 5.817 -4.490 11.681) 13.800 6.936 ( -7.298 7.918 10.525) 15.057 7.325 ( 0.035 -11.857 -0.056) 11.857 7.939 ( 13.004 -6.371 -2.967) 14.781 9.053 ( -4.522 -0.407 -8.876) 9.970 9.409 ( 6.844 5.536 -8.427) 12.186 9.973 ( -1.903 -2.844 17.273) 17.609 10.439 ( -2.133 1.562 13.062) 13.327 15.734 ( 2.911 3.412 -9.794) 10.772 16.066 ( -7.453 14.753 10.490) 19.577 16.431 ( 7.104 -9.069 -10.601) 15.656 16.755 ( 3.064 -1.910 1.011) 3.750 19.076 ( -5.173 -4.637 5.341) 8.763 20.428 ( 1.604 1.188 -0.577) 2.078 ======================= Grid point 108 (35/282) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 6.780 -7.858 8.684) 13.533 1.892 ( 8.560 -8.748 8.262) 14.767 2.120 ( -10.286 -7.327 -2.888) 12.955 2.311 ( -1.384 -2.113 2.183) 3.339 2.589 ( -1.878 2.569 -2.136) 3.833 2.866 ( 1.151 3.382 -10.704) 11.285 3.274 ( 10.182 -14.079 -3.652) 17.755 3.416 ( 10.041 -14.309 10.419) 20.350 3.628 ( 13.214 -5.157 16.034) 21.408 3.772 ( 1.053 -19.145 12.510) 22.895 3.869 ( -2.454 -17.943 8.391) 19.960 4.846 ( -3.409 -2.638 -10.055) 10.940 5.077 ( -0.458 7.393 -11.562) 13.731 5.276 ( 1.019 2.563 -0.072) 2.759 5.576 ( 1.925 5.710 4.799) 7.703 6.184 ( 5.298 -10.207 3.222) 11.943 6.578 ( 2.312 0.388 9.518) 9.802 6.808 ( -5.912 7.613 11.669) 15.135 7.589 ( 3.280 -17.454 1.784) 17.849 8.182 ( 12.907 -9.374 -0.740) 15.969 8.904 ( -6.017 4.723 -9.594) 12.270 9.260 ( 1.283 9.120 -9.702) 13.377 10.161 ( 2.281 -4.932 15.677) 16.592 10.482 ( -1.861 0.902 8.743) 8.984 15.655 ( 1.287 3.493 -3.791) 5.314 15.854 ( -5.279 10.339 8.167) 14.194 16.540 ( 2.486 -4.969 -5.200) 7.610 16.808 ( 3.479 -2.292 -3.919) 5.720 19.157 ( -2.359 -4.757 5.216) 7.443 20.403 ( 0.466 2.205 -1.018) 2.473 ======================= Grid point 109 (36/282) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 3.162 -3.037 6.652) 7.967 2.012 ( -2.755 2.366 2.024) 4.158 2.174 ( -1.153 -8.561 1.057) 8.703 2.379 ( 1.544 -1.814 0.611) 2.459 2.538 ( 0.706 -0.786 -1.434) 1.781 2.710 ( 0.294 6.103 -10.764) 12.377 3.481 ( 7.032 -5.694 -2.417) 9.365 3.686 ( 4.902 -1.497 -0.554) 5.155 3.948 ( 4.267 -14.210 1.215) 14.886 4.144 ( 3.230 -14.094 12.715) 19.255 4.195 ( 0.379 -9.655 12.627) 15.900 4.731 ( -13.465 5.927 -10.771) 18.233 4.919 ( 6.749 -3.118 -8.066) 10.970 5.215 ( 0.484 5.709 0.636) 5.765 5.553 ( 3.904 4.933 4.354) 7.651 6.365 ( 1.998 -3.889 5.179) 6.777 6.539 ( -4.570 7.630 8.937) 12.608 6.779 ( -1.446 1.949 8.871) 9.197 7.946 ( 3.999 -18.230 0.098) 18.664 8.434 ( 10.052 -5.934 -3.756) 12.262 8.687 ( -5.316 5.964 -5.493) 9.696 9.038 ( -0.496 8.206 -9.156) 12.305 10.353 ( 2.309 -3.469 12.167) 12.861 10.469 ( -4.121 3.401 5.744) 7.845 15.577 ( -4.234 4.711 5.634) 8.477 15.760 ( 1.457 3.137 1.777) 3.888 16.573 ( -2.211 -1.831 -1.437) 3.210 16.850 ( 4.869 -2.490 -7.042) 8.917 19.241 ( -0.765 -2.564 4.619) 5.338 20.361 ( -0.414 1.632 -1.121) 2.023 ======================= Grid point 110 (37/282) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -2.914 2.887 6.434) 7.630 2.004 ( 2.754 -2.677 4.030) 5.567 2.221 ( -1.777 3.028 -1.535) 3.831 2.390 ( -1.381 -2.920 -1.018) 3.386 2.465 ( -0.351 6.634 -7.839) 10.275 2.718 ( 7.351 -7.195 -2.305) 10.541 3.541 ( 1.166 3.119 -0.071) 3.331 3.621 ( -1.791 5.241 -8.530) 10.170 4.097 ( -7.953 1.273 -2.282) 8.371 4.190 ( -6.520 8.987 -10.839) 15.516 4.281 ( -3.632 3.027 8.129) 9.404 4.667 ( 8.489 -10.825 3.455) 14.184 5.045 ( 5.866 -3.635 -1.284) 7.020 5.155 ( 0.678 1.288 2.792) 3.148 5.521 ( 0.279 4.911 3.381) 5.969 6.393 ( -0.136 5.309 6.178) 8.147 6.487 ( -3.768 0.788 8.658) 9.475 6.777 ( -3.391 1.663 5.287) 6.498 8.055 ( -5.722 4.680 -10.978) 13.234 8.506 ( -2.149 3.909 -4.605) 6.412 8.559 ( 5.092 -3.973 -3.067) 7.149 9.026 ( 6.993 -8.127 -1.513) 10.827 10.350 ( -7.779 7.015 4.393) 11.359 10.479 ( 0.489 -0.062 8.942) 8.956 15.527 ( -5.638 0.684 8.297) 10.055 15.775 ( 4.497 0.434 1.566) 4.781 16.551 ( -4.350 -0.881 -1.741) 4.768 16.880 ( 4.895 -1.175 -7.288) 8.858 19.270 ( -0.501 2.052 3.761) 4.313 20.342 ( -0.528 -0.897 -0.794) 1.309 ======================= Grid point 111 (38/282) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -4.543 10.877 2.046) 11.964 1.934 ( -10.262 9.435 -2.587) 14.179 2.266 ( 2.036 -2.945 0.917) 3.696 2.291 ( 7.577 2.385 2.408) 8.301 2.489 ( 0.518 -5.322 -2.759) 6.017 2.887 ( 7.181 -5.871 -3.504) 9.915 3.396 ( -2.691 12.292 -2.209) 12.776 3.413 ( -7.948 6.092 -11.541) 15.280 3.592 ( -12.517 23.951 -9.518) 28.652 4.047 ( -10.563 13.026 5.475) 17.642 4.154 ( -3.407 12.414 7.399) 14.848 4.921 ( 8.930 -11.612 -12.480) 19.244 5.128 ( 8.735 0.294 0.707) 8.769 5.228 ( 1.080 -4.442 4.489) 6.407 5.447 ( -4.407 5.017 6.364) 9.224 6.307 ( 2.321 11.733 1.147) 12.015 6.509 ( -4.654 -1.736 7.786) 9.236 6.737 ( -7.981 -0.067 4.873) 9.351 7.748 ( -8.780 11.122 -8.503) 16.525 8.220 ( -1.751 13.155 -10.484) 16.913 8.829 ( 5.647 -13.394 0.565) 14.546 9.255 ( 8.045 -9.850 -2.240) 12.914 10.148 ( -11.097 9.972 5.419) 15.872 10.495 ( -3.044 3.181 7.028) 8.293 15.568 ( -3.833 -4.533 7.705) 9.726 15.845 ( 4.819 -1.184 4.083) 6.426 16.500 ( -4.754 -0.645 -4.146) 6.341 16.875 ( 4.250 1.251 -7.585) 8.784 19.221 ( -0.718 5.549 3.707) 6.711 20.365 ( -0.357 -2.568 -0.657) 2.675 ======================= Grid point 112 (39/282) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -8.475 20.505 -2.224) 22.298 1.572 ( -17.069 14.725 -4.999) 23.091 2.282 ( 4.688 4.092 2.420) 6.676 2.392 ( 0.167 8.043 1.328) 8.153 2.566 ( 1.841 -4.289 1.594) 4.933 2.890 ( -4.240 12.912 -2.434) 13.806 3.027 ( -0.024 6.208 -6.805) 9.211 3.167 ( -8.627 7.753 -3.462) 12.105 3.239 ( -0.212 8.419 -6.072) 10.383 3.627 ( -10.925 26.307 5.187) 28.954 3.944 ( -4.033 13.819 7.687) 16.319 5.070 ( 5.008 -6.515 -8.849) 12.076 5.167 ( -1.047 -0.871 -0.320) 1.399 5.342 ( 1.839 -2.563 -0.359) 3.174 5.405 ( 2.020 0.338 4.419) 4.870 6.043 ( 0.070 19.304 -3.978) 19.710 6.477 ( -5.839 5.120 0.747) 7.802 6.763 ( -8.537 -7.534 10.013) 15.162 7.483 ( -6.170 7.419 -1.721) 9.802 7.949 ( 2.344 10.837 -11.259) 15.802 9.066 ( 5.095 -8.774 -0.202) 10.148 9.425 ( 6.273 -5.406 -8.648) 11.974 9.921 ( -13.239 8.410 11.107) 19.219 10.426 ( -7.558 4.224 7.508) 11.460 15.702 ( 0.251 -7.762 6.751) 10.290 15.962 ( 3.242 -3.947 6.843) 8.539 16.423 ( -4.622 0.007 -7.268) 8.613 16.809 ( 3.914 4.644 -10.046) 11.739 19.147 ( -0.814 5.588 5.220) 7.690 20.396 ( -0.347 -1.925 -0.949) 2.174 ======================= Grid point 113 (40/282) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -12.893 23.297 0.199) 26.627 1.089 ( -19.742 18.563 -1.231) 27.127 1.839 ( -13.279 38.476 4.515) 40.953 2.173 ( -4.817 16.352 2.915) 17.295 2.646 ( -6.888 16.803 9.835) 20.653 2.714 ( 1.941 1.801 2.415) 3.584 2.922 ( -0.777 2.950 -2.241) 3.785 3.013 ( 2.466 1.377 -1.339) 3.126 3.104 ( 3.809 7.239 -2.264) 8.487 3.257 ( -2.428 5.717 -9.341) 11.218 3.771 ( -1.129 9.585 7.379) 12.149 5.067 ( -0.237 1.548 -5.461) 5.682 5.183 ( -4.627 -1.722 4.223) 6.496 5.336 ( -3.790 4.201 4.954) 7.520 5.506 ( 7.420 -7.435 -10.211) 14.649 5.695 ( 0.150 16.851 -2.990) 17.115 6.298 ( -4.310 7.601 -2.676) 9.138 6.902 ( -6.567 -7.851 11.433) 15.345 7.360 ( -1.915 3.857 2.835) 5.156 7.739 ( 6.664 10.791 -13.864) 18.791 9.205 ( 6.687 -1.069 -0.917) 6.834 9.401 ( -1.915 0.603 -10.835) 11.019 9.832 ( -8.293 0.532 13.173) 15.575 10.359 ( -13.544 -1.702 13.959) 19.524 15.913 ( 6.577 -7.890 7.748) 12.866 16.125 ( -0.459 -7.852 7.885) 11.137 16.311 ( -4.910 0.941 -10.179) 11.341 16.648 ( 4.680 9.778 -15.691) 19.071 19.108 ( -1.296 3.004 7.982) 8.627 20.406 ( -0.149 -0.551 -1.126) 1.263 ======================= Grid point 114 (41/282) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -5.802 18.073 17.345) 25.713 0.635 ( -12.222 20.761 11.998) 26.914 1.150 ( -18.190 32.604 26.151) 45.583 1.851 ( -4.758 17.722 9.176) 20.517 2.114 ( -15.632 29.756 19.277) 38.748 2.841 ( 5.166 -4.332 -1.946) 7.017 2.900 ( 0.032 -0.668 -0.729) 0.990 3.024 ( 5.015 7.535 -11.427) 14.577 3.074 ( 6.600 2.483 1.767) 7.270 3.090 ( -0.558 3.089 -6.772) 7.464 3.681 ( -0.174 5.365 -2.338) 5.855 5.007 ( -0.691 0.787 -3.148) 3.318 5.168 ( -2.698 8.551 -6.089) 10.839 5.178 ( -3.809 0.787 4.788) 6.169 5.478 ( 1.602 8.769 2.696) 9.313 5.702 ( 2.943 -11.155 3.900) 12.178 6.150 ( 2.359 6.619 -4.973) 8.609 7.027 ( -5.443 -4.950 10.240) 12.609 7.338 ( -1.892 0.717 2.298) 3.062 7.476 ( 13.163 20.320 -14.324) 28.131 9.173 ( 2.560 6.137 -3.457) 7.494 9.368 ( -0.363 -3.503 -3.440) 4.923 9.852 ( -3.914 -0.201 8.099) 8.997 10.517 ( -19.987 -23.780 23.183) 38.761 16.146 ( -5.726 -2.245 -11.274) 12.842 16.200 ( 7.087 0.231 3.842) 8.065 16.246 ( 6.554 1.615 -7.310) 9.950 16.411 ( 2.858 4.169 -0.569) 5.086 19.135 ( -4.142 -1.979 8.232) 9.426 20.403 ( 0.512 0.058 -0.863) 1.005 ======================= Grid point 116 (42/282) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -0.536 0.000 19.975) 19.983 1.120 ( 8.331 -0.000 25.672) 26.990 1.781 ( -3.392 0.000 16.197) 16.548 1.924 ( 20.335 -0.000 31.319) 37.341 2.209 ( 7.732 -0.000 13.270) 15.358 2.811 ( -5.100 0.000 -2.385) 5.630 2.957 ( 3.347 -0.000 11.224) 11.712 2.985 ( 2.194 -0.000 -4.713) 5.199 3.023 ( 6.858 -0.000 9.089) 11.386 3.295 ( -0.514 0.000 -13.245) 13.255 3.583 ( 14.745 -0.000 5.726) 15.818 5.022 ( 2.437 -0.000 -3.259) 4.070 5.076 ( 7.453 -0.000 -11.936) 14.072 5.417 ( 4.835 -0.000 5.143) 7.059 5.591 ( 8.509 -0.000 1.265) 8.602 5.632 ( -13.845 0.000 1.801) 13.962 6.332 ( 7.371 -0.000 19.186) 20.553 7.087 ( -8.132 0.000 8.618) 11.849 7.094 ( 3.409 -0.000 -1.516) 3.730 7.837 ( 13.880 -0.000 -3.837) 14.400 9.005 ( -3.161 0.000 -6.627) 7.343 9.497 ( 8.505 -0.000 -7.133) 11.101 9.944 ( -2.679 0.000 15.446) 15.677 10.537 ( -6.086 0.000 13.569) 14.871 15.972 ( 11.708 -0.000 -16.874) 20.537 16.000 ( 9.411 -0.000 -13.736) 16.650 16.513 ( -6.360 0.000 9.588) 11.506 16.654 ( -6.588 0.000 8.618) 10.847 18.975 ( -4.821 0.000 5.659) 7.434 20.445 ( 2.468 -0.000 -0.499) 2.517 ======================= Grid point 117 (43/282) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -1.524 -23.198 10.808) 25.638 1.426 ( 6.888 -7.381 20.476) 22.830 1.938 ( 1.964 -3.598 16.106) 16.620 2.289 ( 5.340 -0.850 4.238) 6.870 2.416 ( 8.195 -15.095 7.793) 18.861 2.728 ( -6.370 0.144 0.937) 6.440 2.995 ( 5.871 0.637 -1.811) 6.176 3.131 ( 7.706 -5.373 6.388) 11.360 3.260 ( 4.767 -7.693 7.413) 11.699 3.312 ( 7.049 -10.196 3.742) 12.948 3.736 ( 12.998 3.842 13.385) 19.049 4.893 ( -4.957 5.559 -12.659) 14.688 5.106 ( 3.873 -4.178 -10.831) 12.238 5.379 ( -5.752 2.561 3.410) 7.161 5.665 ( 7.271 0.221 5.878) 9.353 5.804 ( 11.046 -11.570 0.711) 16.012 6.549 ( 7.096 -0.918 19.635) 20.899 7.034 ( -7.458 4.147 9.376) 12.678 7.174 ( 3.206 -6.061 -0.899) 6.916 7.965 ( 12.155 -3.360 -1.978) 12.765 8.928 ( -5.108 -1.101 -9.137) 10.526 9.472 ( 2.707 3.231 -8.765) 9.726 10.068 ( 3.869 -0.982 16.893) 17.359 10.565 ( -0.086 3.148 12.355) 12.750 15.813 ( 8.764 8.160 -11.810) 16.819 16.180 ( 7.373 -9.314 -13.251) 17.796 16.360 ( -6.615 10.996 9.097) 15.730 16.720 ( -4.763 -4.983 5.184) 8.625 19.014 ( -1.649 -3.065 5.993) 6.930 20.455 ( 1.720 0.792 -1.143) 2.212 ======================= Grid point 118 (44/282) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.935 -20.727 3.746) 21.083 1.716 ( 1.200 -8.351 11.653) 14.387 2.070 ( 4.405 0.993 8.318) 9.465 2.303 ( -0.231 -0.177 2.498) 2.515 2.570 ( -2.831 0.113 -3.955) 4.865 2.810 ( 0.869 -5.214 -5.823) 7.865 3.104 ( 10.144 -10.985 -7.098) 16.552 3.368 ( 6.460 -11.759 7.780) 15.510 3.503 ( -1.987 -17.240 10.206) 20.133 3.704 ( 9.634 -10.250 16.617) 21.772 3.914 ( 13.950 2.932 17.334) 22.442 4.651 ( -14.312 -0.956 -15.364) 21.019 5.089 ( 2.473 1.934 -9.567) 10.069 5.340 ( 3.126 2.438 -0.209) 3.970 5.741 ( 7.682 4.451 6.225) 10.843 6.127 ( 13.156 -10.761 2.043) 17.119 6.724 ( 3.954 2.238 16.117) 16.745 6.944 ( -6.656 6.115 11.040) 14.268 7.353 ( 3.371 -12.867 -0.340) 13.306 8.163 ( 12.398 -7.335 -0.314) 14.409 8.803 ( -7.379 0.785 -11.689) 13.846 9.330 ( -2.265 6.842 -8.542) 11.176 10.259 ( 7.198 -1.860 15.224) 16.942 10.591 ( 1.387 4.051 9.941) 10.825 15.719 ( 7.123 4.855 -7.741) 11.586 16.075 ( -6.744 13.499 10.743) 18.523 16.385 ( 4.075 -9.005 -11.121) 14.878 16.770 ( -1.547 -2.855 0.182) 3.252 19.111 ( -0.036 -4.180 6.806) 7.987 20.431 ( 0.325 1.991 -1.937) 2.797 ======================= Grid point 119 (45/282) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 2.177 -2.187 6.735) 7.408 1.906 ( -5.379 -12.981 0.097) 14.052 2.143 ( 6.907 1.528 5.412) 8.907 2.368 ( 1.480 -2.521 1.988) 3.536 2.512 ( -0.202 -0.703 -2.605) 2.706 2.736 ( -0.155 4.944 -9.588) 10.788 3.345 ( 8.738 -14.132 -12.613) 20.860 3.686 ( 5.873 -6.395 3.463) 9.348 3.837 ( -2.960 -12.822 12.170) 17.924 3.964 ( -6.648 -10.016 7.984) 14.431 4.117 ( 5.714 -7.058 9.477) 13.126 4.538 ( -6.976 -6.213 -2.945) 9.795 4.995 ( 7.812 5.780 -7.923) 12.538 5.320 ( 4.262 4.326 -1.305) 6.211 5.748 ( 5.945 7.690 6.469) 11.676 6.397 ( 12.337 -4.589 3.267) 13.562 6.709 ( -4.620 9.165 10.649) 14.790 6.909 ( -0.388 4.586 13.083) 13.869 7.650 ( 3.104 -18.925 -1.364) 19.226 8.403 ( 10.243 -6.557 -3.341) 12.613 8.621 ( -8.061 0.915 -8.892) 12.037 9.106 ( -4.187 8.886 -8.214) 12.805 10.444 ( 6.045 -0.837 12.280) 13.712 10.578 ( 0.379 5.855 7.567) 9.575 15.659 ( 2.236 5.050 -1.426) 5.704 15.904 ( -2.112 8.969 9.721) 13.394 16.458 ( -1.541 -5.534 -7.408) 9.374 16.803 ( 2.631 -2.889 -4.935) 6.295 19.231 ( 1.072 -3.649 6.752) 7.750 20.374 ( -1.051 2.414 -2.350) 3.528 ======================= Grid point 120 (46/282) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -3.546 -1.405 5.295) 6.526 2.024 ( 4.400 -3.304 4.264) 6.961 2.237 ( 4.129 -2.091 1.494) 4.863 2.320 ( -2.509 2.408 -4.591) 5.760 2.531 ( -0.984 6.949 -6.346) 9.462 2.662 ( 7.137 -6.068 -1.910) 9.560 3.539 ( 1.360 -4.225 -8.201) 9.325 3.598 ( -5.819 0.124 -10.943) 12.395 3.954 ( -7.296 -1.437 4.755) 8.827 4.128 ( -1.613 -4.896 -3.594) 6.284 4.323 ( -1.564 -4.641 7.469) 8.932 4.611 ( 0.768 -6.502 6.030) 8.901 5.029 ( 10.386 -2.528 -0.943) 10.730 5.266 ( 4.727 5.808 -1.084) 7.567 5.693 ( 1.828 9.099 7.813) 12.132 6.535 ( 2.230 5.310 5.592) 8.027 6.585 ( 1.664 4.908 8.633) 10.069 6.894 ( 0.355 7.156 9.065) 11.555 7.905 ( -2.420 -8.816 -8.940) 12.787 8.380 ( -2.929 -4.561 -7.431) 9.198 8.612 ( -1.841 4.082 -1.896) 4.863 8.960 ( 3.727 -3.398 -4.564) 6.802 10.467 ( -2.984 8.317 6.179) 10.782 10.585 ( 3.897 2.242 9.307) 10.336 15.572 ( -4.274 4.921 5.693) 8.654 15.881 ( 4.990 3.077 6.222) 8.549 16.444 ( -5.807 -2.671 -5.403) 8.369 16.848 ( 4.859 -2.707 -6.986) 8.930 19.322 ( 1.339 -0.377 5.464) 5.638 20.318 ( -1.622 0.589 -1.907) 2.572 ======================= Grid point 121 (47/282) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -1.285 5.094 3.271) 6.189 2.013 ( -5.715 9.497 -0.490) 11.094 2.268 ( 3.544 1.005 -1.824) 4.111 2.359 ( 2.371 -6.794 -1.204) 7.296 2.395 ( 5.085 1.060 -1.039) 5.297 2.831 ( 7.014 -6.199 -2.721) 9.748 3.283 ( -15.147 2.912 -14.444) 21.132 3.596 ( 1.302 9.502 2.821) 9.997 3.810 ( -4.061 15.202 -6.394) 16.985 4.037 ( -5.376 -0.981 -2.395) 5.967 4.349 ( -2.997 6.782 7.499) 10.546 4.804 ( 7.530 -7.750 -3.984) 11.517 5.169 ( 1.571 -4.524 4.606) 6.645 5.229 ( 6.907 3.128 -4.329) 8.731 5.605 ( -2.430 8.775 12.180) 15.207 6.453 ( -3.739 3.398 6.599) 8.311 6.615 ( 6.123 7.531 6.334) 11.590 6.789 ( -1.966 9.389 2.747) 9.978 7.739 ( -9.468 6.663 -10.275) 15.480 8.349 ( -3.782 11.622 -5.591) 13.440 8.604 ( 1.477 -16.258 -1.306) 16.377 9.144 ( 7.199 -10.375 -3.108) 13.005 10.296 ( -5.889 11.874 6.504) 14.764 10.604 ( 0.269 5.005 7.278) 8.837 15.527 ( -5.813 -0.232 7.922) 9.829 15.952 ( 7.595 1.255 6.611) 10.147 16.376 ( -7.626 -1.900 -6.336) 10.095 16.878 ( 4.990 -0.671 -7.039) 8.655 19.331 ( 0.653 4.144 3.804) 5.663 20.310 ( -1.163 -2.339 -0.903) 2.764 ======================= Grid point 122 (48/282) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -8.727 16.481 -1.677) 18.725 1.725 ( -1.766 18.862 -2.024) 19.052 2.299 ( 2.419 -3.913 1.141) 4.740 2.444 ( 1.578 -5.219 -3.066) 6.255 2.577 ( 10.612 -2.299 4.787) 11.867 2.933 ( 1.698 -2.999 -6.150) 7.050 3.013 ( -10.313 5.748 -6.934) 13.693 3.367 ( -3.653 17.303 4.601) 18.274 3.424 ( 2.962 19.676 -6.578) 20.957 3.927 ( -9.156 12.252 5.009) 16.095 4.174 ( -4.700 13.621 6.873) 15.964 4.928 ( 8.751 -6.093 -11.365) 15.584 5.185 ( 3.644 4.148 -7.198) 9.072 5.306 ( 1.300 -7.213 4.026) 8.362 5.527 ( -4.597 7.403 12.280) 15.057 6.352 ( 3.259 16.383 -3.227) 17.013 6.557 ( -0.544 6.042 6.139) 8.631 6.651 ( -7.842 -0.031 4.911) 9.253 7.510 ( -6.971 5.597 -1.041) 9.000 8.092 ( 0.800 11.664 -5.989) 13.136 8.883 ( 1.569 -15.399 -1.357) 15.538 9.329 ( 6.173 -7.612 -7.256) 12.194 10.074 ( -8.237 12.761 10.244) 18.320 10.527 ( -3.568 7.606 6.548) 10.652 15.584 ( -5.690 -6.721 8.343) 12.131 16.067 ( 9.051 0.387 7.835) 11.977 16.278 ( -8.828 -1.627 -8.308) 12.231 16.861 ( 5.369 2.724 -8.113) 10.102 19.268 ( -0.409 5.874 3.426) 6.813 20.346 ( -0.460 -3.029 -0.395) 3.089 ======================= Grid point 123 (49/282) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -3.195 22.560 4.512) 23.228 1.347 ( -2.565 22.641 1.252) 22.820 2.330 ( -1.018 7.362 0.129) 7.433 2.408 ( -0.495 24.668 4.523) 25.084 2.600 ( 2.492 -7.206 -2.085) 7.904 2.864 ( -1.700 2.391 2.835) 4.080 2.929 ( 3.190 2.304 -3.784) 5.459 3.108 ( -3.322 11.410 5.737) 13.197 3.252 ( 6.848 3.790 -9.248) 12.115 3.526 ( -6.831 28.607 8.866) 30.719 3.950 ( -5.699 12.210 5.492) 14.551 5.046 ( 1.604 -7.884 -6.377) 10.267 5.088 ( 1.278 3.929 -4.317) 5.976 5.409 ( -5.700 6.189 1.038) 8.478 5.473 ( 7.068 -5.461 0.891) 8.976 6.020 ( 2.467 21.491 -0.333) 21.634 6.403 ( -1.110 10.230 -0.631) 10.309 6.761 ( -7.455 -10.056 11.526) 17.016 7.406 ( -2.555 3.546 3.768) 5.770 7.903 ( 5.706 10.174 -6.878) 13.542 9.111 ( 1.718 -11.689 -1.682) 11.934 9.382 ( 5.291 0.480 -12.147) 13.258 9.902 ( -9.211 7.298 15.543) 19.485 10.400 ( -6.797 7.088 9.145) 13.419 15.747 ( -5.588 -12.327 7.888) 15.665 16.148 ( -9.318 -1.129 -9.947) 13.677 16.215 ( 9.989 -0.303 8.348) 13.022 16.775 ( 7.377 7.133 -10.986) 15.033 19.194 ( -2.275 4.499 4.520) 6.771 20.383 ( 0.188 -1.768 -0.402) 1.823 ======================= Grid point 124 (50/282) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 1.082 20.845 11.219) 23.697 1.049 ( 10.651 19.137 18.854) 28.899 1.840 ( -1.198 38.205 14.392) 40.844 2.192 ( -0.376 15.148 6.277) 16.402 2.646 ( -7.300 28.253 11.858) 31.498 2.741 ( -1.395 -6.192 -1.005) 6.426 2.909 ( 4.092 1.015 0.675) 4.270 3.035 ( 0.858 2.020 -2.944) 3.672 3.097 ( 0.701 5.318 -4.210) 6.819 3.284 ( 9.456 7.562 1.005) 12.150 3.730 ( -8.583 9.662 0.268) 12.926 5.002 ( -0.351 1.197 -4.625) 4.791 5.123 ( -0.483 -0.587 -1.435) 1.624 5.274 ( 0.053 3.161 -0.466) 3.196 5.633 ( 5.190 -3.076 2.551) 6.550 5.759 ( 4.478 13.325 3.136) 14.403 6.257 ( 2.226 7.341 0.450) 7.684 6.928 ( -6.886 -8.522 10.930) 15.476 7.349 ( -2.977 4.608 1.666) 5.733 7.767 ( 12.288 9.647 -8.462) 17.767 9.230 ( -3.212 -0.263 -7.039) 7.742 9.323 ( 9.445 -0.457 -4.691) 10.555 9.867 ( -7.293 0.803 13.763) 15.596 10.341 ( -9.242 -0.417 16.354) 18.790 15.902 ( -6.951 -6.099 -7.745) 12.063 16.084 ( -7.155 -10.452 5.312) 13.735 16.352 ( 10.109 2.318 1.205) 10.441 16.643 ( 11.363 8.889 -8.753) 16.875 19.133 ( -6.315 2.699 5.394) 8.733 20.404 ( 1.073 -0.554 -0.398) 1.271 ======================= Grid point 127 (51/282) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -13.474 0.000 17.270) 21.904 1.598 ( 9.195 -0.000 18.829) 20.954 2.051 ( 5.972 -0.000 15.063) 16.203 2.327 ( -0.564 0.000 -0.163) 0.587 2.423 ( 8.917 -0.000 0.873) 8.959 2.662 ( -6.895 0.000 1.078) 6.978 3.040 ( 5.595 -0.000 -10.320) 11.739 3.180 ( 2.691 -0.000 9.119) 9.508 3.180 ( 2.721 -0.000 1.269) 3.002 3.522 ( 20.449 -0.000 22.215) 30.194 3.997 ( 13.501 -0.000 16.179) 21.072 4.715 ( -19.617 0.000 -21.625) 29.197 5.041 ( 6.242 -0.000 -6.651) 9.122 5.388 ( 0.615 -0.000 1.370) 1.502 5.797 ( 11.841 -0.000 0.467) 11.850 5.851 ( 14.944 -0.000 8.422) 17.154 6.748 ( 6.549 -0.000 19.516) 20.585 7.055 ( -7.842 0.000 8.758) 11.756 7.179 ( 5.981 -0.000 1.970) 6.297 8.035 ( 11.280 -0.000 -1.312) 11.356 8.800 ( -6.398 0.000 -10.360) 12.177 9.444 ( -2.028 0.000 -8.502) 8.741 10.231 ( 8.608 -0.000 15.316) 17.569 10.679 ( 1.993 -0.000 10.499) 10.687 15.968 ( 9.756 -0.000 -13.494) 16.652 15.993 ( 9.444 -0.000 -13.681) 16.624 16.519 ( -6.549 0.000 9.517) 11.553 16.598 ( -9.270 0.000 6.905) 11.559 19.030 ( 1.247 -0.000 6.167) 6.292 20.467 ( 1.295 -0.000 -1.902) 2.301 ======================= Grid point 128 (52/282) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -11.896 -24.094 11.468) 29.216 1.804 ( 6.516 -1.469 12.822) 14.458 2.177 ( 3.714 -0.670 3.756) 5.324 2.339 ( 2.231 1.031 6.098) 6.575 2.492 ( -1.107 -2.915 -4.119) 5.166 2.686 ( 1.191 -6.376 0.745) 6.529 3.003 ( 5.167 -2.707 -15.288) 16.363 3.297 ( 1.787 -6.602 9.516) 11.719 3.333 ( -0.148 -9.357 8.815) 12.856 3.869 ( 15.137 0.005 16.606) 22.469 4.219 ( 11.538 0.312 15.934) 19.675 4.354 ( -18.679 1.496 -16.012) 24.648 5.075 ( 6.684 -1.374 -8.109) 10.598 5.404 ( 4.459 1.228 -1.173) 4.771 5.926 ( 11.726 1.264 2.683) 12.096 6.114 ( 15.459 -8.272 5.653) 18.422 6.903 ( 3.582 1.968 13.360) 13.971 7.018 ( -6.925 2.227 9.292) 11.801 7.290 ( 6.480 -2.704 5.835) 9.130 8.173 ( 11.463 -4.563 -0.470) 12.347 8.654 ( -8.297 0.305 -12.487) 14.995 9.323 ( -5.454 3.490 -7.941) 10.247 10.422 ( 9.841 -0.347 13.056) 16.353 10.741 ( 2.904 3.215 8.533) 9.570 15.843 ( 9.452 7.321 -9.579) 15.320 16.138 ( 5.646 -7.926 -11.141) 14.793 16.353 ( -6.778 10.716 8.725) 15.391 16.673 ( -4.954 -6.266 2.491) 8.367 19.111 ( 1.672 -2.499 6.897) 7.524 20.448 ( 0.454 1.447 -2.660) 3.062 ======================= Grid point 129 (53/282) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -9.147 -22.129 5.446) 24.556 1.922 ( 3.837 -0.998 5.351) 6.660 2.265 ( 3.529 -2.395 2.344) 4.867 2.372 ( 3.777 2.505 2.286) 5.076 2.491 ( 1.372 -1.028 1.115) 2.045 2.736 ( 0.076 1.542 -6.236) 6.424 3.087 ( 6.015 -12.843 -14.191) 20.063 3.576 ( -1.245 -17.177 11.409) 20.658 3.608 ( -1.390 -16.681 11.085) 20.077 3.771 ( -18.196 5.246 -14.212) 23.677 4.291 ( 9.516 5.055 10.766) 15.232 4.439 ( 5.287 -5.795 9.294) 12.162 5.093 ( 8.721 1.645 -5.934) 10.676 5.411 ( 5.433 2.403 -2.492) 6.442 5.983 ( 8.706 6.930 4.909) 12.163 6.450 ( 16.003 -9.081 2.998) 18.643 6.869 ( -6.005 7.648 9.459) 13.565 7.042 ( -0.180 0.654 9.692) 9.716 7.466 ( 5.960 -7.115 5.147) 10.613 8.371 ( 8.278 -4.626 -5.051) 10.744 8.476 ( -7.501 -1.552 -8.563) 11.489 9.126 ( -7.119 6.424 -7.420) 12.125 10.588 ( 7.739 0.551 10.335) 12.923 10.741 ( 2.254 5.788 6.562) 9.035 15.773 ( 7.190 5.854 -5.148) 10.605 16.100 ( -4.490 8.872 8.682) 13.200 16.300 ( 0.249 -4.860 -6.979) 8.508 16.729 ( 0.075 -4.398 -3.370) 5.541 19.228 ( 1.292 -3.865 7.209) 8.281 20.392 ( -0.518 2.875 -3.047) 4.221 ======================= Grid point 130 (54/282) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -6.306 -13.087 3.465) 14.935 2.035 ( 3.959 -3.723 4.560) 7.095 2.285 ( 0.089 1.419 -0.300) 1.453 2.373 ( 6.683 4.031 1.287) 7.910 2.586 ( 0.975 3.529 -3.139) 4.823 2.626 ( 4.776 -2.600 -4.158) 6.846 3.304 ( 4.270 -17.059 -10.549) 20.506 3.392 ( -19.461 4.175 -16.814) 26.055 3.885 ( -5.912 -12.071 10.443) 17.021 3.969 ( 1.950 -16.025 6.558) 17.425 4.341 ( 5.627 3.604 6.039) 9.007 4.562 ( -1.054 -1.969 3.359) 4.034 5.133 ( 9.652 1.818 -0.073) 9.822 5.388 ( 5.883 4.302 -3.824) 8.230 5.934 ( 3.182 10.419 7.468) 13.208 6.668 ( 3.575 3.828 1.541) 5.459 6.768 ( 5.840 4.333 9.473) 11.942 7.064 ( -0.472 3.720 6.973) 7.917 7.682 ( 1.611 -9.792 -0.244) 9.927 8.228 ( -7.148 -0.230 -11.887) 13.872 8.616 ( 3.510 -3.728 1.409) 5.310 8.920 ( -3.229 2.612 -6.803) 7.971 10.630 ( 0.255 7.577 5.708) 9.490 10.729 ( 3.989 3.270 7.101) 8.776 15.682 ( -0.182 7.778 1.526) 7.928 16.032 ( 1.788 4.250 8.944) 10.062 16.302 ( -4.241 -2.884 -6.738) 8.468 16.787 ( 4.271 -4.274 -6.873) 9.151 19.345 ( 0.770 -3.046 6.105) 6.866 20.315 ( -1.091 2.696 -2.598) 3.900 ======================= Grid point 131 (55/282) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -2.468 -6.268 2.954) 7.356 2.072 ( -3.692 3.605 0.923) 5.242 2.313 ( 5.406 -0.828 1.096) 5.578 2.364 ( 2.972 8.079 -5.115) 10.014 2.468 ( 7.125 -0.623 1.493) 7.306 2.777 ( 6.215 -6.407 -2.720) 9.331 3.058 ( -16.121 2.197 -13.696) 21.267 3.575 ( 4.477 -15.464 -5.117) 16.892 3.909 ( -3.836 7.696 3.304) 9.212 4.104 ( 1.441 6.677 -2.480) 7.267 4.396 ( -1.230 -2.094 5.368) 5.891 4.667 ( -1.058 -11.775 2.630) 12.111 5.183 ( 2.186 1.170 4.151) 4.835 5.333 ( 7.333 5.036 -8.036) 11.988 5.822 ( -2.757 10.505 11.093) 15.524 6.537 ( -6.143 7.490 6.649) 11.749 6.847 ( 11.195 6.497 1.576) 13.039 6.986 ( 0.986 9.802 0.780) 9.883 7.679 ( -7.357 3.065 -3.424) 8.674 8.292 ( 0.746 -15.183 -2.404) 15.390 8.505 ( -3.913 10.119 -2.057) 11.043 9.005 ( 4.888 -10.546 -4.297) 12.392 10.488 ( -2.991 11.302 5.165) 12.781 10.736 ( 0.616 4.601 5.495) 7.193 15.568 ( -4.478 5.372 5.963) 9.191 16.091 ( 5.813 0.936 8.323) 10.195 16.232 ( -6.653 -1.020 -7.198) 9.854 16.848 ( 5.211 -3.003 -7.023) 9.246 19.403 ( -0.128 0.778 3.723) 3.806 20.268 ( -0.810 -0.171 -1.172) 1.435 ======================= Grid point 132 (56/282) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -1.673 11.404 1.010) 11.570 1.947 ( -1.279 9.331 -2.031) 9.634 2.258 ( 1.230 -1.059 -1.230) 2.037 2.378 ( 3.458 -2.445 0.204) 4.240 2.636 ( 4.898 -4.439 -1.628) 6.808 2.862 ( -3.133 0.349 -3.802) 4.939 2.914 ( 5.110 -5.733 -2.389) 8.043 3.635 ( -2.230 14.472 3.025) 14.952 3.782 ( 6.238 14.390 -2.002) 15.811 3.903 ( -4.460 -0.698 -2.715) 5.268 4.367 ( -4.174 7.897 5.695) 10.593 4.865 ( 6.080 -7.507 -6.383) 11.579 5.209 ( -3.216 -2.471 4.510) 6.065 5.256 ( 3.540 3.724 -6.522) 8.303 5.685 ( -7.419 9.337 9.588) 15.302 6.458 ( -4.540 0.802 6.751) 8.175 6.730 ( -1.139 11.627 -6.747) 13.491 6.801 ( 3.794 14.404 2.126) 15.046 7.559 ( -2.192 5.262 5.808) 8.138 8.271 ( 1.543 11.996 -1.748) 12.220 8.600 ( 0.727 -18.441 -1.558) 18.521 9.184 ( 3.762 -9.855 -6.842) 12.573 10.289 ( -4.989 12.927 7.484) 15.748 10.660 ( -3.048 6.981 4.394) 8.794 15.523 ( -5.679 -0.519 7.718) 9.596 16.120 ( -8.008 -0.633 -8.298) 11.549 16.209 ( 7.680 0.012 8.595) 11.526 16.879 ( 5.011 -0.309 -6.835) 8.481 19.367 ( -1.312 4.557 1.928) 5.119 20.289 ( -0.094 -2.934 0.029) 2.936 ======================= Grid point 133 (57/282) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 2.157 16.471 1.260) 16.659 1.704 ( 2.640 17.585 3.439) 18.112 2.313 ( -1.042 -2.896 -0.704) 3.158 2.495 ( 3.741 -6.640 1.031) 7.690 2.596 ( -7.413 0.946 -6.218) 9.722 2.912 ( 5.465 -3.556 -5.064) 8.256 3.032 ( 10.042 4.533 7.644) 13.409 3.366 ( -1.228 16.361 3.929) 16.871 3.455 ( 4.038 21.343 -1.051) 21.747 3.873 ( -3.180 9.745 5.621) 11.691 4.163 ( -4.963 14.910 5.495) 16.648 4.942 ( 7.879 -3.217 -10.255) 13.326 5.143 ( 1.946 4.520 -6.104) 7.841 5.340 ( -3.424 -8.882 2.278) 9.788 5.506 ( -7.708 6.835 4.138) 11.102 6.369 ( 1.742 16.375 -1.859) 16.572 6.564 ( -3.425 3.534 0.566) 4.954 6.640 ( -4.037 1.912 9.770) 10.743 7.525 ( 3.401 6.560 8.294) 11.108 8.102 ( 5.820 11.272 -2.022) 12.846 8.883 ( 0.906 -15.760 -1.873) 15.897 9.293 ( 3.277 -6.397 -11.023) 13.159 10.092 ( -6.080 11.885 12.173) 18.066 10.526 ( -5.043 7.774 5.435) 10.742 15.584 ( -5.832 -6.904 8.011) 12.077 15.991 ( -7.642 -0.204 -8.834) 11.682 16.350 ( 7.911 -0.848 8.175) 11.407 16.856 ( 5.554 3.131 -8.051) 10.269 19.275 ( -2.811 5.385 2.129) 6.437 20.345 ( 0.478 -3.018 0.151) 3.060 ======================= Grid point 134 (58/282) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 4.978 17.274 6.046) 18.967 1.553 ( 10.626 15.280 13.188) 22.810 2.306 ( -2.395 0.661 -2.351) 3.421 2.368 ( -5.478 16.827 0.080) 17.696 2.630 ( -0.409 -5.464 0.387) 5.493 2.951 ( 3.756 -0.646 -6.187) 7.267 3.029 ( 7.166 15.423 13.069) 21.448 3.168 ( 2.409 10.637 3.272) 11.387 3.241 ( 8.035 9.911 0.973) 12.796 3.624 ( -0.151 21.194 10.903) 23.835 3.885 ( -5.759 15.733 2.997) 17.020 4.963 ( 2.036 -0.234 -9.247) 9.472 5.121 ( 4.308 -2.074 -2.159) 5.247 5.298 ( -3.095 2.709 -1.226) 4.292 5.559 ( -0.076 -8.497 0.923) 8.547 6.090 ( 1.487 17.461 2.937) 17.769 6.436 ( 2.901 8.386 2.972) 9.358 6.779 ( -7.151 -9.984 11.594) 16.890 7.480 ( 2.460 9.226 5.376) 10.958 7.983 ( 10.139 9.775 -3.480) 14.507 9.079 ( -1.879 -9.067 -4.534) 10.310 9.325 ( 5.981 -3.561 -11.780) 13.683 9.973 ( -5.376 7.131 16.299) 18.585 10.418 ( -4.459 4.722 9.388) 11.416 15.713 ( -4.207 -7.802 0.990) 8.919 15.903 ( -6.542 -4.840 -0.962) 8.195 16.473 ( 6.884 0.708 3.037) 7.558 16.784 ( 6.834 5.208 -7.936) 11.696 19.174 ( -4.843 4.840 3.685) 7.775 20.393 ( 1.056 -1.922 -0.182) 2.201 ======================= Grid point 138 (59/282) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -15.910 0.000 17.897) 23.946 1.922 ( 2.494 -0.000 9.807) 10.119 2.160 ( -2.057 0.000 -2.570) 3.292 2.438 ( 3.112 -0.000 -4.256) 5.273 2.467 ( 4.695 -0.000 13.491) 14.285 2.658 ( 1.964 -0.000 1.057) 2.230 2.906 ( 2.575 -0.000 -15.317) 15.532 3.309 ( -0.618 0.000 7.236) 7.262 3.313 ( -0.717 0.000 7.595) 7.628 3.938 ( -23.925 0.000 -17.528) 29.659 4.186 ( 17.769 -0.000 17.006) 24.595 4.507 ( 9.796 -0.000 15.051) 17.958 5.073 ( 8.953 -0.000 -9.815) 13.285 5.448 ( 4.958 -0.000 -1.985) 5.340 6.041 ( 12.429 -0.000 0.634) 12.445 6.252 ( 15.160 -0.000 6.329) 16.429 7.018 ( -8.167 0.000 8.322) 11.660 7.023 ( 4.577 -0.000 5.194) 6.923 7.414 ( 6.748 -0.000 14.203) 15.725 8.237 ( 11.418 -0.000 -0.672) 11.437 8.486 ( -9.256 0.000 -13.604) 16.454 9.237 ( -7.681 0.000 -7.311) 10.604 10.594 ( 9.684 -0.000 10.380) 14.196 10.848 ( 3.007 -0.000 6.236) 6.923 15.990 ( 9.558 -0.000 -13.601) 16.623 15.993 ( 7.446 -0.000 -6.816) 10.095 16.506 ( -6.058 0.000 1.310) 6.198 16.520 ( -6.719 0.000 9.303) 11.476 19.152 ( 1.490 -0.000 6.769) 6.931 20.447 ( 0.597 -0.000 -3.135) 3.192 ======================= Grid point 139 (60/282) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -12.311 -22.801 13.004) 28.992 1.965 ( -0.247 -0.023 4.181) 4.188 2.175 ( -2.338 -5.420 -1.785) 6.166 2.473 ( 8.063 -0.526 -1.724) 8.262 2.568 ( 2.834 2.904 9.523) 10.351 2.709 ( 0.211 -1.775 -0.528) 1.863 2.879 ( 3.647 -6.334 -12.951) 14.871 3.367 ( -7.890 -6.520 -0.680) 10.258 3.418 ( -3.385 -8.947 6.678) 11.666 3.617 ( -13.486 2.193 -4.385) 14.350 4.455 ( 9.924 -3.274 10.056) 14.503 4.609 ( 6.431 7.161 9.152) 13.281 5.127 ( 9.944 -2.612 -7.459) 12.702 5.471 ( 4.949 1.147 -2.566) 5.692 6.171 ( 10.254 0.866 1.886) 10.462 6.458 ( 12.567 -6.373 2.354) 14.286 6.965 ( -7.726 3.894 9.530) 12.871 7.080 ( 3.168 0.114 0.160) 3.174 7.571 ( 6.305 0.830 14.994) 16.287 8.287 ( -8.832 1.553 -14.489) 17.040 8.388 ( 10.069 -5.255 -0.023) 11.358 9.083 ( -8.663 3.322 -6.498) 11.327 10.733 ( 7.179 0.662 7.562) 10.448 10.877 ( 1.879 3.487 4.039) 5.658 15.908 ( 9.274 5.778 -7.639) 13.332 16.100 ( 3.211 -4.715 -6.828) 8.897 16.336 ( -5.525 8.542 5.953) 11.787 16.616 ( -2.238 -6.377 -0.361) 6.768 19.228 ( 0.179 -2.550 6.718) 7.188 20.414 ( 0.563 2.113 -3.240) 3.909 ======================= Grid point 140 (61/282) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -7.691 -21.210 7.574) 23.799 2.027 ( 0.753 -3.497 3.621) 5.090 2.240 ( -0.141 -5.629 -0.930) 5.707 2.541 ( 7.692 3.436 -0.276) 8.429 2.602 ( 4.401 -1.134 1.293) 4.725 2.643 ( -1.761 5.577 -5.053) 7.729 3.015 ( 2.712 -13.204 -7.307) 15.333 3.195 ( -11.227 3.048 -11.564) 16.403 3.637 ( -5.273 -15.953 8.714) 18.927 3.751 ( -2.476 -16.272 10.563) 19.557 4.532 ( 1.678 7.427 -2.835) 8.125 4.588 ( 3.441 2.517 6.010) 7.369 5.221 ( 8.212 -1.220 -2.166) 8.580 5.464 ( 4.584 2.622 -4.128) 6.702 6.175 ( 3.995 9.074 4.150) 10.748 6.702 ( 6.487 -6.876 -3.528) 10.090 6.910 ( -3.804 1.189 13.031) 13.627 7.080 ( 2.021 1.350 -4.593) 5.197 7.699 ( 3.777 1.256 11.448) 12.120 8.084 ( -6.717 1.135 -11.588) 13.441 8.592 ( 8.753 -7.014 0.790) 11.244 8.888 ( -7.621 5.135 -5.939) 10.941 10.782 ( 1.792 5.347 3.940) 6.879 10.846 ( 1.228 3.225 3.533) 4.939 15.833 ( 4.621 8.175 -3.262) 9.942 16.112 ( -1.569 -0.575 -0.049) 1.672 16.237 ( -2.446 2.958 2.553) 4.610 16.697 ( 3.277 -5.725 -5.654) 8.688 19.322 ( -1.285 -3.984 5.825) 7.173 20.349 ( 0.557 3.656 -2.689) 4.573 ======================= Grid point 141 (62/282) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -3.841 -13.953 4.854) 15.264 2.083 ( -1.756 -0.735 2.041) 2.791 2.358 ( 2.929 -3.844 0.074) 4.833 2.467 ( -0.962 5.953 -6.142) 8.607 2.526 ( 3.511 3.865 0.220) 5.226 2.687 ( 3.482 -5.236 -5.785) 8.544 2.993 ( 1.157 5.592 -0.603) 5.742 3.295 ( 6.019 -17.321 -5.613) 19.177 3.888 ( -7.435 -10.971 8.420) 15.701 4.066 ( 0.009 -13.159 4.593) 13.937 4.396 ( -1.924 2.613 -4.831) 5.820 4.565 ( -1.396 2.458 2.203) 3.584 5.266 ( 2.448 2.106 1.802) 3.698 5.408 ( 4.650 4.389 -8.999) 11.040 6.034 ( -3.573 11.520 5.834) 13.398 6.656 ( -4.491 7.794 4.388) 10.008 6.989 ( -3.307 0.957 -12.534) 12.998 7.059 ( 7.143 0.015 4.469) 8.426 7.712 ( -2.322 3.430 7.077) 8.200 8.073 ( 2.467 -8.201 -1.702) 8.731 8.648 ( -0.556 9.588 0.806) 9.638 8.833 ( 2.668 -10.264 -5.690) 12.035 10.665 ( -2.125 9.566 2.687) 10.161 10.825 ( -1.599 3.111 2.507) 4.304 15.690 ( -1.773 9.187 2.267) 9.628 16.098 ( -4.634 -0.700 -4.020) 6.174 16.222 ( 2.736 0.828 5.675) 6.355 16.787 ( 5.601 -4.820 -6.837) 10.068 19.396 ( -2.644 -2.878 3.556) 5.284 20.284 ( 0.926 2.918 -1.245) 3.305 ======================= Grid point 142 (63/282) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -2.566 -4.894 1.064) 5.628 2.057 ( -0.117 4.191 2.482) 4.872 2.271 ( -0.670 2.612 -5.360) 6.000 2.455 ( 4.629 3.522 2.363) 6.278 2.497 ( -5.788 -2.588 -5.286) 8.255 2.751 ( 1.828 -5.665 -8.525) 10.398 3.065 ( 17.789 2.162 11.247) 21.157 3.607 ( 5.183 -16.513 -4.102) 17.787 3.860 ( -4.525 8.677 0.581) 9.803 4.118 ( 3.161 9.886 -0.521) 10.392 4.392 ( -4.786 -3.430 2.171) 6.276 4.651 ( -3.285 -14.305 0.994) 14.711 5.234 ( -2.525 3.843 4.382) 6.352 5.295 ( 2.952 4.180 -11.552) 12.635 5.822 ( -8.826 11.051 4.090) 14.722 6.514 ( -5.853 6.640 6.914) 11.232 6.798 ( -3.090 5.984 -14.426) 15.921 7.019 ( -2.313 9.302 1.998) 9.792 7.740 ( 7.287 4.363 11.484) 14.283 8.298 ( 1.272 -16.156 -1.105) 16.244 8.486 ( 3.550 10.844 0.495) 11.421 8.993 ( 1.880 -10.263 -6.596) 12.344 10.487 ( -3.890 11.000 4.414) 12.475 10.739 ( -5.286 4.675 1.413) 7.197 15.562 ( -4.468 5.330 5.680) 8.980 16.000 ( -6.314 0.795 -6.755) 9.280 16.319 ( 5.384 -1.195 7.556) 9.355 16.858 ( 5.392 -2.624 -6.383) 8.758 19.401 ( -3.602 0.665 1.117) 3.830 20.268 ( 1.367 -0.102 0.351) 1.415 ======================= Grid point 143 (64/282) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( -1.737 6.636 -3.002) 7.487 1.984 ( 2.649 8.574 4.284) 9.944 2.287 ( 2.062 -1.729 0.155) 2.695 2.436 ( -8.527 -2.933 -3.815) 9.791 2.472 ( 3.568 -0.367 1.905) 4.062 2.801 ( 1.461 -6.009 -9.648) 11.460 3.291 ( 18.355 2.905 9.520) 20.880 3.627 ( -2.084 12.555 3.500) 13.199 3.827 ( 1.709 2.363 -1.439) 3.252 3.937 ( 8.807 10.049 1.742) 13.475 4.347 ( -5.113 6.745 4.407) 9.542 4.851 ( 1.969 -10.994 -7.873) 13.665 5.172 ( 0.576 2.229 -7.441) 7.790 5.205 ( -7.033 -0.497 5.588) 8.996 5.578 ( -7.918 9.090 0.162) 12.056 6.462 ( -6.191 -1.474 8.142) 10.334 6.569 ( -4.219 8.253 -7.450) 11.891 6.818 ( -4.072 11.278 3.442) 12.474 7.803 ( 11.490 9.257 10.709) 18.231 8.347 ( 6.105 10.598 0.415) 12.238 8.597 ( 1.367 -17.302 -2.051) 17.477 9.108 ( 0.666 -8.887 -9.846) 13.280 10.306 ( -4.221 10.973 8.203) 14.336 10.605 ( -6.980 5.182 2.092) 8.941 15.521 ( -5.525 -0.760 7.726) 9.529 15.880 ( -5.221 0.901 -7.303) 9.023 16.444 ( 5.016 -1.556 7.310) 9.001 16.883 ( 5.016 0.339 -6.777) 8.438 19.332 ( -3.845 3.552 0.698) 5.281 20.308 ( 1.277 -2.268 0.688) 2.692 ======================= Grid point 144 (65/282) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 2.440 8.737 2.266) 9.350 1.908 ( 5.694 9.316 7.077) 13.012 2.279 ( -2.379 1.973 -1.565) 3.465 2.375 ( -6.870 0.068 -1.352) 7.002 2.550 ( 0.683 -3.968 -0.003) 4.026 2.846 ( 1.354 -5.911 -10.619) 12.229 3.366 ( 7.821 7.579 0.353) 10.897 3.516 ( 7.832 8.068 8.955) 14.374 3.613 ( 12.742 25.309 9.980) 30.042 3.938 ( 1.386 7.582 5.027) 9.202 4.149 ( -4.906 15.497 7.052) 17.719 4.935 ( 6.482 -1.476 -11.233) 13.052 5.058 ( -4.488 -1.025 -6.841) 8.246 5.249 ( -5.273 -4.520 0.478) 6.962 5.463 ( -0.798 -1.344 3.089) 3.462 6.342 ( -3.125 11.458 1.447) 11.965 6.524 ( -4.190 -3.576 4.980) 7.425 6.702 ( -2.608 1.415 8.735) 9.225 7.771 ( 8.239 13.979 7.120) 17.719 8.244 ( 10.451 11.024 -0.766) 15.210 8.841 ( -2.068 -13.600 -4.197) 14.382 9.175 ( 1.372 -7.957 -11.987) 14.453 10.178 ( -2.302 8.806 12.871) 15.764 10.492 ( -5.565 3.325 5.079) 8.235 15.581 ( -5.171 -5.919 7.008) 10.530 15.792 ( -3.064 -0.934 -4.520) 5.540 16.546 ( 3.188 -0.524 4.206) 5.304 16.853 ( 5.311 2.947 -7.723) 9.825 19.237 ( -3.569 4.596 2.536) 6.348 20.362 ( 0.855 -2.525 -0.024) 2.666 ======================= Grid point 149 (66/282) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -15.055 0.000 18.545) 23.887 1.969 ( -3.332 0.000 3.493) 4.828 2.094 ( -0.848 0.000 -1.093) 1.383 2.526 ( 7.925 -0.000 -3.990) 8.872 2.680 ( -0.740 0.000 10.464) 10.490 2.681 ( -1.726 0.000 -1.247) 2.129 2.791 ( 4.651 -0.000 -7.052) 8.448 3.215 ( -6.018 0.000 -7.902) 9.933 3.359 ( -3.216 0.000 5.960) 6.772 3.536 ( -8.211 0.000 6.063) 10.207 4.544 ( 4.655 -0.000 1.739) 4.969 4.779 ( 1.256 -0.000 7.689) 7.791 5.135 ( 11.111 -0.000 -8.681) 14.100 5.510 ( 4.419 -0.000 -2.066) 4.878 6.253 ( 7.763 -0.000 0.585) 7.785 6.521 ( 8.280 -0.000 -3.029) 8.817 6.989 ( -7.450 0.000 10.896) 13.200 7.107 ( 2.939 -0.000 -2.735) 4.014 7.736 ( 3.382 -0.000 14.816) 15.197 8.125 ( -6.916 0.000 -12.243) 14.062 8.445 ( 10.993 -0.000 -1.259) 11.064 8.990 ( -8.122 0.000 -4.834) 9.451 10.837 ( 4.546 -0.000 4.625) 6.486 10.936 ( 0.343 -0.000 1.474) 1.513 15.990 ( 9.728 -0.000 -13.519) 16.655 16.058 ( 3.356 -0.000 -0.029) 3.356 16.410 ( -0.538 0.000 -5.391) 5.418 16.515 ( -6.806 0.000 9.014) 11.295 19.243 ( -1.476 0.000 6.154) 6.328 20.421 ( 1.395 -0.000 -3.098) 3.398 ======================= Grid point 150 (67/282) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -10.682 -22.495 13.898) 28.518 1.990 ( -2.004 -2.718 3.658) 4.978 2.137 ( 0.675 -5.151 0.545) 5.223 2.540 ( 2.242 -1.171 -10.880) 11.170 2.647 ( -0.026 1.207 -1.525) 1.945 2.713 ( -2.177 1.885 6.086) 6.733 2.865 ( 6.191 -5.563 -1.383) 8.437 3.154 ( 3.693 1.812 -1.534) 4.390 3.433 ( -4.639 -8.564 6.230) 11.562 3.569 ( -7.240 -7.670 9.643) 14.292 4.537 ( -1.222 0.771 -8.777) 8.895 4.742 ( -2.034 6.302 3.371) 7.431 5.223 ( 7.672 -3.631 -5.080) 9.892 5.519 ( 3.599 2.016 -2.257) 4.703 6.323 ( 2.834 1.572 0.008) 3.241 6.557 ( 1.769 -6.134 -8.555) 10.674 6.966 ( -6.994 3.836 9.446) 12.364 7.106 ( 2.281 -0.266 -2.990) 3.770 7.777 ( -7.626 0.879 2.575) 8.096 8.052 ( 6.134 1.999 0.974) 6.524 8.559 ( 6.430 -4.835 -3.849) 8.918 8.880 ( -3.161 3.598 -1.082) 4.910 10.876 ( 0.737 1.323 2.015) 2.520 10.904 ( -2.013 3.320 -0.269) 3.892 15.959 ( 8.148 4.313 -11.347) 14.620 16.081 ( -0.172 -0.320 0.340) 0.498 16.308 ( -2.435 5.427 1.665) 6.177 16.591 ( 0.095 -6.624 0.061) 6.625 19.281 ( -3.244 -2.487 5.245) 6.650 20.396 ( 1.893 2.442 -2.517) 3.985 ======================= Grid point 151 (68/282) ======================= q-point: (-0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -4.991 -21.501 8.905) 23.801 2.037 ( -3.099 -3.067 1.600) 4.644 2.265 ( 0.942 -6.431 1.737) 6.728 2.460 ( -2.608 1.336 -10.769) 11.161 2.591 ( -1.423 2.027 -4.034) 4.733 2.692 ( 4.014 3.419 1.484) 5.478 3.063 ( 8.008 -10.803 -1.078) 13.490 3.219 ( 15.106 3.234 7.168) 17.030 3.626 ( -7.078 -15.342 7.181) 18.359 3.786 ( -8.555 -18.455 9.894) 22.620 4.381 ( -3.282 4.462 -14.669) 15.680 4.626 ( -5.520 4.739 0.758) 7.314 5.289 ( 2.531 -1.342 -3.114) 4.231 5.471 ( 2.667 4.952 -4.627) 7.283 6.194 ( -4.800 10.198 -1.464) 11.366 6.661 ( -1.315 -9.686 -9.358) 13.532 6.841 ( -7.593 5.567 -1.713) 9.570 7.131 ( -0.368 -0.706 3.694) 3.779 7.687 ( -8.387 -2.140 -0.421) 8.666 8.141 ( 11.735 2.798 7.398) 14.152 8.625 ( -3.643 -5.980 -9.640) 11.915 8.838 ( 7.860 4.771 5.023) 10.477 10.788 ( -3.345 6.780 -0.217) 7.563 10.839 ( -4.664 1.809 -0.367) 5.016 15.832 ( 1.743 8.240 -6.978) 10.937 16.064 ( -2.801 3.164 1.689) 4.551 16.265 ( 0.936 -1.030 2.085) 2.506 16.710 ( 4.539 -6.065 -3.376) 8.293 19.324 ( -4.996 -3.595 3.312) 6.990 20.351 ( 2.407 3.691 -1.265) 4.584 ======================= Grid point 152 (69/282) ======================= q-point: (-0.30 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -1.344 -12.583 5.744) 13.897 2.048 ( -4.796 -2.656 -0.440) 5.500 2.264 ( -1.619 3.684 -4.550) 6.074 2.403 ( -1.911 -1.880 -0.841) 2.809 2.535 ( -0.802 -0.989 -5.818) 5.956 2.694 ( 5.868 2.682 -1.161) 6.555 3.350 ( 11.096 -13.505 -0.410) 17.484 3.408 ( 18.835 1.696 8.050) 20.553 3.825 ( -8.758 -8.355 4.710) 12.988 4.088 ( -7.813 -18.626 7.413) 21.515 4.212 ( -2.821 -1.734 -10.097) 10.626 4.515 ( -6.298 0.741 0.093) 6.342 5.275 ( -1.227 1.320 -2.008) 2.698 5.340 ( 1.153 7.914 -7.112) 10.703 5.930 ( -8.896 11.327 -2.629) 14.641 6.636 ( -5.941 8.988 2.322) 11.021 6.666 ( -4.929 -3.406 -14.596) 15.778 7.105 ( -7.738 4.209 4.861) 10.061 7.773 ( -1.001 -12.482 3.331) 12.958 8.258 ( 12.321 2.745 6.171) 14.051 8.589 ( -1.602 -1.676 -8.886) 9.183 8.903 ( 7.442 1.004 2.934) 8.062 10.626 ( -4.835 8.039 1.329) 9.475 10.731 ( -8.548 2.688 -1.426) 9.074 15.665 ( -1.851 7.683 -1.200) 7.993 15.955 ( -5.239 4.572 -0.691) 6.987 16.362 ( 4.357 -3.908 3.266) 6.702 16.817 ( 5.255 -4.020 -4.123) 7.796 19.339 ( -6.125 -2.758 0.922) 6.780 20.316 ( 2.807 2.801 0.283) 3.976 ======================= Grid point 153 (70/282) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -2.297 0.789 0.720) 2.533 2.046 ( -3.885 -1.201 0.655) 4.119 2.236 ( 0.024 -4.642 -1.392) 4.847 2.384 ( -0.960 2.312 1.839) 3.106 2.525 ( 0.464 -1.706 -4.589) 4.918 2.692 ( 4.327 1.183 -4.130) 6.098 3.552 ( 9.977 2.310 0.098) 10.241 3.687 ( 11.035 -12.283 -3.630) 16.906 3.762 ( -3.282 4.231 4.609) 7.065 4.256 ( 8.121 3.946 5.684) 10.669 4.287 ( -8.114 -9.914 1.835) 12.942 4.546 ( -7.773 -12.789 -0.774) 14.986 5.158 ( -0.333 4.741 -10.093) 11.156 5.223 ( -4.336 3.205 3.148) 6.243 5.650 ( -6.972 9.387 -3.673) 12.256 6.462 ( -6.085 3.621 -1.966) 7.349 6.563 ( -5.896 2.925 -1.258) 6.700 6.942 ( -8.992 8.042 4.486) 12.871 8.027 ( 4.056 -9.235 5.215) 11.354 8.366 ( 8.626 -0.753 2.025) 8.893 8.550 ( 3.762 0.576 -7.237) 8.177 8.964 ( 3.803 -1.129 -1.648) 4.296 10.467 ( -4.625 7.838 4.728) 10.255 10.587 ( -10.372 2.256 -0.762) 10.642 15.548 ( -4.035 4.008 4.257) 7.104 15.831 ( -3.743 3.158 -3.245) 5.875 16.489 ( 3.576 -3.060 4.430) 6.463 16.879 ( 4.874 -1.384 -5.178) 7.245 19.313 ( -5.612 -0.747 0.058) 5.662 20.317 ( 2.374 0.726 0.936) 2.653 ======================= Grid point 154 (71/282) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.188 3.299 3.439) 4.769 2.016 ( -3.568 0.099 0.716) 3.640 2.270 ( -3.111 1.021 0.746) 3.358 2.378 ( 2.220 0.432 0.775) 2.391 2.535 ( 1.448 -0.594 -0.970) 1.841 2.689 ( 2.038 -2.874 -8.974) 9.641 3.525 ( 2.536 4.840 -1.457) 5.655 3.677 ( 2.319 1.531 -1.409) 3.116 4.006 ( 8.909 -6.144 5.870) 12.312 4.195 ( 13.433 19.143 4.229) 23.765 4.300 ( -5.344 3.461 5.931) 8.701 4.687 ( -7.870 -15.187 -8.399) 19.056 5.061 ( -2.069 3.484 -4.433) 6.006 5.149 ( -3.767 0.090 2.308) 4.419 5.493 ( 0.187 2.612 -0.940) 2.783 6.393 ( -5.504 -1.315 0.940) 5.736 6.473 ( -5.752 1.906 7.380) 9.549 6.786 ( -4.714 5.159 4.840) 8.501 8.117 ( 6.733 9.089 4.048) 12.014 8.448 ( 6.403 1.078 -3.920) 7.585 8.595 ( 1.916 -8.118 -3.329) 8.981 8.994 ( 1.430 -3.544 -7.000) 7.975 10.361 ( -2.102 6.271 9.061) 11.218 10.476 ( -8.685 -0.065 2.098) 8.935 15.521 ( -5.489 -1.229 7.959) 9.746 15.750 ( -0.416 1.065 -3.523) 3.704 16.575 ( 0.628 -1.295 3.412) 3.703 16.885 ( 4.916 1.197 -7.017) 8.650 19.270 ( -3.446 1.121 1.709) 4.006 20.341 ( 1.038 -0.796 0.234) 1.328 ======================= Grid point 160 (72/282) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -13.487 0.000 18.800) 23.137 1.975 ( -2.280 0.000 4.802) 5.315 2.117 ( 2.122 -0.000 2.651) 3.396 2.447 ( -1.489 0.000 -11.762) 11.856 2.657 ( 2.798 -0.000 -3.003) 4.104 2.698 ( -9.088 0.000 5.859) 10.813 2.901 ( 8.142 -0.000 1.138) 8.221 3.285 ( 14.958 -0.000 6.796) 16.430 3.357 ( -4.731 0.000 4.973) 6.864 3.494 ( -8.542 0.000 8.533) 12.074 4.428 ( -5.794 0.000 -14.976) 16.057 4.750 ( -8.809 0.000 -1.201) 8.890 5.223 ( 6.327 -0.000 -4.762) 7.919 5.559 ( 2.749 -0.000 -0.728) 2.844 6.302 ( -0.841 0.000 -4.425) 4.504 6.454 ( -2.830 0.000 -12.068) 12.396 7.027 ( -6.236 0.000 11.603) 13.173 7.050 ( -2.048 0.000 -7.353) 7.633 7.674 ( -11.371 0.000 -2.673) 11.681 8.205 ( 11.804 -0.000 8.141) 14.339 8.498 ( -1.505 0.000 -8.621) 8.751 8.937 ( 6.284 -0.000 3.867) 7.379 10.859 ( -5.485 0.000 -1.713) 5.746 10.914 ( -1.800 0.000 -0.984) 2.051 15.994 ( 9.898 -0.000 -13.483) 16.727 16.059 ( -1.549 0.000 -3.683) 3.995 16.392 ( 4.999 -0.000 -2.173) 5.451 16.506 ( -6.776 0.000 8.769) 11.081 19.255 ( -4.808 0.000 4.417) 6.529 20.423 ( 2.536 -0.000 -2.155) 3.328 ======================= Grid point 161 (73/282) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -8.412 -23.538 14.192) 28.744 1.979 ( -4.850 -1.033 1.983) 5.340 2.208 ( 2.240 -4.684 3.762) 6.412 2.371 ( 0.185 0.048 -9.136) 9.138 2.586 ( -6.927 3.083 -0.706) 7.615 2.717 ( 0.073 -3.982 -0.075) 3.983 3.017 ( 9.593 -3.669 -1.243) 10.345 3.407 ( -6.066 -8.054 4.825) 11.178 3.466 ( 1.171 -5.439 6.950) 8.902 3.572 ( 9.301 -1.175 15.104) 17.777 4.241 ( -8.536 -0.630 -19.255) 21.072 4.594 ( -12.758 2.967 -3.884) 13.662 5.258 ( 2.465 -1.787 -3.719) 4.806 5.548 ( 1.699 3.647 -0.998) 4.145 6.238 ( -6.365 4.604 -7.289) 10.717 6.356 ( -4.684 -8.818 -14.946) 17.974 6.898 ( -5.354 5.992 -1.389) 8.155 7.082 ( -6.671 -3.438 4.951) 8.991 7.562 ( -9.893 -1.080 -0.980) 10.000 8.360 ( 12.233 1.873 7.410) 14.424 8.431 ( -4.119 -3.758 -10.493) 11.883 9.031 ( 10.557 2.936 5.819) 12.406 10.760 ( -9.601 0.846 -3.696) 10.322 10.850 ( -4.128 3.400 -1.205) 5.482 15.893 ( 3.430 6.322 -13.050) 14.901 16.103 ( 4.836 -4.089 -4.439) 7.734 16.305 ( -2.553 7.982 4.906) 9.711 16.624 ( 0.980 -7.876 3.193) 8.555 19.244 ( -6.343 -1.856 2.924) 7.227 20.417 ( 2.854 2.135 -1.375) 3.820 ======================= Grid point 162 (74/282) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( -2.129 -22.698 8.941) 24.488 1.943 ( -7.508 -2.091 -1.544) 7.945 2.285 ( -1.946 2.352 -7.083) 7.713 2.313 ( -1.794 -2.568 2.408) 3.951 2.494 ( -1.820 0.697 -0.605) 2.040 2.788 ( 5.136 -0.856 -0.556) 5.237 3.188 ( 9.646 -9.560 -6.597) 15.099 3.563 ( -8.679 -14.331 5.616) 17.670 3.662 ( -10.527 -17.880 7.834) 22.179 3.752 ( 9.439 3.757 3.915) 10.888 4.100 ( -0.668 -1.960 -8.854) 9.093 4.421 ( -11.281 -1.636 -1.261) 11.468 5.263 ( -0.317 -0.009 -2.395) 2.416 5.450 ( 0.940 8.060 -3.631) 8.890 5.977 ( -9.413 9.172 -8.392) 15.593 6.371 ( -5.919 -9.813 -18.043) 21.375 6.751 ( -5.154 6.179 2.764) 8.508 7.076 ( -11.128 -0.843 5.982) 12.662 7.552 ( -5.984 -8.772 0.552) 10.633 8.378 ( -4.311 -6.349 -13.038) 15.129 8.507 ( 13.850 3.083 6.542) 15.624 9.105 ( 10.619 5.383 6.039) 13.349 10.610 ( -12.472 1.123 -3.972) 13.137 10.717 ( -6.534 5.384 -0.367) 8.475 15.731 ( 1.834 5.886 -10.899) 12.522 16.065 ( -4.103 10.373 7.238) 13.298 16.314 ( 5.233 -6.932 -3.697) 9.439 16.771 ( 2.871 -5.368 1.327) 6.230 19.231 ( -7.436 -2.797 1.111) 8.023 20.396 ( 2.967 2.946 -0.301) 4.192 ======================= Grid point 163 (75/282) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -3.060 -6.631 2.056) 7.587 1.952 ( -2.473 -8.835 3.247) 9.732 2.157 ( -5.827 1.525 -2.878) 6.675 2.341 ( -3.270 -4.052 -3.416) 6.227 2.491 ( 3.079 1.610 0.081) 3.476 2.815 ( 7.065 4.152 -0.883) 8.242 3.416 ( 7.813 -13.683 -10.553) 18.965 3.619 ( -9.092 -2.281 -8.240) 12.481 3.811 ( -2.279 -8.137 2.471) 8.804 3.926 ( -9.133 -17.969 7.229) 21.414 4.100 ( -11.970 -10.939 -2.689) 16.436 4.530 ( 11.167 -3.812 11.599) 16.546 5.214 ( 1.454 6.045 -5.135) 8.064 5.265 ( -2.370 7.364 -3.017) 8.303 5.692 ( -7.969 8.072 -6.384) 13.016 6.325 ( -5.435 -5.560 -13.776) 15.819 6.624 ( -5.892 6.592 5.800) 10.574 6.972 ( -12.475 3.846 5.924) 14.336 7.747 ( -4.015 -18.132 0.463) 18.577 8.371 ( -2.580 -8.607 -15.499) 17.915 8.611 ( 14.275 5.959 5.379) 16.377 9.131 ( 9.166 7.472 4.929) 12.812 10.450 ( -13.987 -0.284 -2.682) 14.245 10.566 ( -6.814 5.264 2.222) 8.892 15.604 ( 0.380 4.354 -4.170) 6.041 15.894 ( -4.826 9.003 5.130) 11.431 16.465 ( 5.061 -6.144 -1.535) 8.106 16.863 ( 3.153 -2.430 -1.594) 4.288 19.216 ( -6.764 -3.343 0.399) 7.556 20.377 ( 2.504 2.527 0.386) 3.578 ======================= Grid point 164 (76/282) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -4.413 -3.043 3.350) 6.321 2.019 ( -0.407 3.206 3.605) 4.842 2.178 ( -3.483 -7.375 -0.369) 8.164 2.364 ( -2.661 -6.546 -4.818) 8.552 2.481 ( 3.091 2.864 -1.692) 4.541 2.781 ( 7.284 6.727 -1.952) 10.105 3.521 ( -4.695 -2.224 -3.617) 6.330 3.588 ( 1.896 -7.833 -11.656) 14.171 3.949 ( -1.148 -13.428 -2.225) 13.659 4.144 ( -7.978 -12.685 2.809) 15.246 4.211 ( -14.047 -13.924 1.734) 19.855 4.730 ( 16.249 9.466 9.514) 21.075 5.027 ( 1.769 3.210 -9.332) 10.026 5.192 ( -2.963 3.148 3.613) 5.634 5.511 ( -3.392 2.609 -2.640) 5.028 6.307 ( -2.649 -4.694 -2.957) 6.148 6.513 ( -6.501 4.344 7.671) 10.954 6.831 ( -9.133 4.105 5.134) 11.253 7.990 ( -5.974 -16.079 -4.230) 17.667 8.413 ( -0.671 -10.836 -13.687) 17.470 8.635 ( 11.771 10.154 3.155) 15.862 9.099 ( 7.825 8.918 1.989) 12.030 10.342 ( -12.542 -3.594 0.566) 13.059 10.470 ( -4.014 3.001 6.013) 7.828 15.539 ( -2.684 2.577 4.642) 5.949 15.776 ( -0.644 4.005 1.091) 4.200 16.562 ( 0.621 -2.429 0.162) 2.513 16.892 ( 3.776 -0.260 -5.560) 6.726 19.226 ( -3.891 -3.298 1.615) 5.350 20.362 ( 1.202 1.733 0.161) 2.115 ======================= Grid point 171 (77/282) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -11.652 0.000 18.665) 22.003 1.895 ( -11.018 0.000 -2.214) 11.238 2.234 ( 3.486 -0.000 5.764) 6.736 2.365 ( 5.588 -0.000 -2.850) 6.273 2.503 ( -16.387 0.000 1.832) 16.489 2.663 ( 2.334 -0.000 -3.278) 4.024 3.073 ( 9.129 -0.000 -0.828) 9.166 3.304 ( -6.846 0.000 2.844) 7.413 3.350 ( -11.544 0.000 3.007) 11.929 3.917 ( 26.172 -0.000 17.420) 31.439 3.969 ( -14.590 0.000 -22.287) 26.638 4.435 ( -17.111 0.000 -6.688) 18.372 5.237 ( 1.003 -0.000 -2.984) 3.148 5.593 ( 0.292 -0.000 1.387) 1.418 6.106 ( -5.827 0.000 -13.564) 14.763 6.158 ( -8.552 0.000 -13.855) 16.282 6.848 ( -8.652 0.000 -6.556) 10.855 7.032 ( -7.508 0.000 8.918) 11.658 7.456 ( -9.563 0.000 0.026) 9.563 8.264 ( -5.404 0.000 -12.830) 13.921 8.551 ( 12.508 -0.000 6.915) 14.292 9.201 ( 11.440 -0.000 5.677) 12.771 10.626 ( -13.322 0.000 -5.232) 14.312 10.820 ( -6.223 0.000 -1.336) 6.365 15.944 ( 2.698 -0.000 -12.554) 12.841 16.001 ( 9.994 -0.000 -13.528) 16.819 16.496 ( -6.638 0.000 8.680) 10.927 16.508 ( 2.282 -0.000 7.297) 7.646 19.183 ( -7.140 0.000 2.141) 7.454 20.452 ( 2.660 -0.000 -1.350) 2.983 ======================= Grid point 172 (78/282) ======================= q-point: (-0.30 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -6.428 -25.318 12.954) 29.157 1.773 ( -13.986 -3.451 -4.611) 15.126 2.288 ( -3.708 4.447 -2.415) 6.273 2.298 ( -5.859 0.315 6.266) 8.584 2.478 ( 2.656 -3.468 0.650) 4.417 2.723 ( 1.392 -7.075 -1.605) 7.387 3.140 ( 4.952 -0.956 -6.791) 8.459 3.316 ( -11.201 -8.162 3.050) 14.191 3.329 ( -8.450 -9.837 2.205) 13.154 3.681 ( -15.079 -1.869 -18.087) 23.622 4.132 ( -7.438 4.354 -8.402) 12.037 4.359 ( 14.085 -3.602 16.146) 21.727 5.234 ( -0.593 -1.216 -1.909) 2.340 5.557 ( -0.664 5.336 0.853) 5.445 5.934 ( -9.853 5.104 -11.924) 16.289 6.029 ( -5.726 -9.016 -17.148) 20.202 6.726 ( -10.129 -1.091 -2.690) 10.536 7.010 ( -9.045 0.633 7.948) 12.058 7.396 ( -7.601 -3.266 0.515) 8.289 8.153 ( -4.398 -3.591 -14.803) 15.854 8.703 ( 11.986 0.579 5.566) 13.228 9.317 ( 10.730 3.092 4.899) 12.194 10.446 ( -16.179 0.049 -5.386) 17.052 10.719 ( -8.129 3.183 0.105) 8.731 15.786 ( 5.368 7.467 -13.862) 16.635 16.135 ( 9.124 -9.106 -10.492) 16.621 16.328 ( -5.260 11.505 9.029) 15.542 16.703 ( -0.367 -7.845 6.881) 10.442 19.134 ( -7.584 -1.141 1.283) 7.776 20.453 ( 2.205 1.468 -1.068) 2.856 ======================= Grid point 173 (79/282) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -5.223 -19.877 0.554) 20.559 1.734 ( -9.248 -12.317 0.737) 15.420 2.118 ( -10.911 2.223 0.438) 11.144 2.314 ( 0.525 2.123 4.117) 4.662 2.543 ( 3.779 0.097 -0.343) 3.796 2.869 ( 5.276 -5.955 -2.442) 8.322 3.139 ( -7.738 -11.769 -13.107) 19.240 3.368 ( -7.105 -6.377 -7.677) 12.251 3.479 ( -9.321 -17.292 2.757) 19.837 3.604 ( -11.820 -12.680 -2.624) 17.533 3.885 ( -15.300 0.364 -5.651) 16.314 4.701 ( 18.448 -3.241 13.843) 23.291 5.235 ( -0.974 -0.484 0.191) 1.104 5.412 ( 0.818 10.950 -3.867) 11.642 5.678 ( -8.906 6.246 -7.575) 13.255 6.033 ( -4.671 -10.940 -15.791) 19.770 6.650 ( -9.137 -0.398 1.446) 9.259 6.942 ( -11.184 2.555 8.085) 14.034 7.459 ( -5.076 -11.353 0.834) 12.464 8.100 ( -2.540 -6.982 -16.714) 18.291 8.834 ( 11.858 1.718 4.205) 12.698 9.366 ( 9.358 6.062 3.375) 11.649 10.259 ( -17.668 -1.183 -3.567) 18.063 10.581 ( -8.998 3.931 2.423) 10.114 15.654 ( 5.148 4.667 -9.156) 11.495 16.085 ( -5.528 13.219 8.914) 16.875 16.362 ( 7.987 -9.688 -7.891) 14.829 16.832 ( -0.131 -3.874 2.709) 4.729 19.103 ( -6.762 -2.803 1.440) 7.460 20.436 ( 1.565 2.037 -0.734) 2.671 ======================= Grid point 174 (80/282) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -9.934 -11.411 -1.696) 15.224 1.919 ( -11.285 -10.264 -3.911) 15.748 2.117 ( 5.437 -5.232 7.039) 10.319 2.296 ( 0.386 3.207 2.872) 4.322 2.548 ( 2.130 2.004 -1.109) 3.128 2.921 ( 7.140 3.006 -4.147) 8.787 3.249 ( -8.349 -19.594 -13.803) 25.380 3.376 ( -2.959 -8.367 -6.618) 11.071 3.544 ( -16.873 -7.503 -8.602) 20.371 3.782 ( -13.024 -24.834 3.778) 28.295 3.932 ( -6.046 -13.207 7.652) 16.417 4.972 ( 12.560 -2.755 6.896) 14.591 5.163 ( 1.593 12.414 -7.006) 14.343 5.248 ( 4.253 4.380 1.200) 6.222 5.480 ( -7.782 2.737 -2.961) 8.765 6.113 ( -1.721 -12.391 -6.729) 14.204 6.570 ( -6.929 2.763 4.150) 8.536 6.831 ( -11.158 3.862 7.482) 13.978 7.638 ( -6.207 -14.919 -2.016) 16.284 8.118 ( -0.586 -10.612 -15.853) 19.086 8.904 ( 10.357 6.341 2.537) 12.406 9.340 ( 8.193 8.630 0.404) 11.906 10.131 ( -16.314 -5.069 0.929) 17.108 10.482 ( -7.248 0.842 4.999) 8.846 15.605 ( 3.357 3.098 -0.245) 4.574 15.893 ( -3.812 9.479 6.793) 12.269 16.506 ( 3.262 -4.942 -4.760) 7.597 16.869 ( 1.136 -1.482 -4.215) 4.610 19.130 ( -3.835 -4.959 2.789) 6.861 20.407 ( 0.691 2.252 -0.583) 2.427 ======================= Grid point 182 (81/282) ======================= q-point: (-0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -10.973 0.000 16.460) 19.782 1.546 ( -18.672 0.000 -4.990) 19.327 2.143 ( -21.289 0.000 0.739) 21.302 2.375 ( 1.287 -0.000 4.957) 5.121 2.452 ( 0.092 -0.000 -2.753) 2.755 2.675 ( -0.648 0.000 4.514) 4.560 3.058 ( -8.358 0.000 -10.773) 13.635 3.133 ( -11.834 0.000 -6.061) 13.296 3.250 ( 5.781 -0.000 0.811) 5.838 3.377 ( -16.934 0.000 -12.573) 21.091 3.966 ( -15.086 0.000 -9.911) 18.050 4.656 ( 22.798 -0.000 14.158) 26.836 5.197 ( -1.764 0.000 -1.391) 2.246 5.597 ( -4.334 0.000 1.716) 4.662 5.777 ( -4.992 0.000 -17.585) 18.280 5.816 ( -8.280 0.000 -7.573) 11.221 6.558 ( -14.154 0.000 -3.698) 14.629 7.004 ( -6.870 0.000 7.913) 10.479 7.299 ( -7.203 0.000 0.119) 7.204 7.985 ( -2.861 0.000 -16.015) 16.269 8.840 ( 9.735 -0.000 4.036) 10.538 9.468 ( 9.816 -0.000 2.747) 10.193 10.245 ( -18.321 0.000 -4.769) 18.932 10.671 ( -9.495 0.000 2.769) 9.890 15.862 ( 9.224 -0.000 -15.721) 18.227 16.008 ( 9.961 -0.000 -13.629) 16.881 16.489 ( -6.446 0.000 8.786) 10.897 16.641 ( -2.200 0.000 11.248) 11.461 19.065 ( -7.012 0.000 1.537) 7.178 20.471 ( 1.172 -0.000 -1.637) 2.013 ======================= Grid point 183 (82/282) ======================= q-point: (-0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -9.377 -23.487 4.559) 25.698 1.402 ( -18.896 -10.050 -1.421) 21.450 1.980 ( -18.265 -3.034 2.859) 18.735 2.377 ( -6.863 -0.627 0.549) 6.914 2.450 ( -11.031 -11.289 -3.192) 16.104 2.700 ( -3.204 -0.469 3.369) 4.673 2.926 ( 0.032 -0.544 -9.439) 9.454 3.056 ( -13.536 -11.280 -10.223) 20.371 3.221 ( -6.328 -3.687 -3.063) 7.938 3.400 ( 2.962 -8.266 0.750) 8.813 3.729 ( -13.512 3.862 -8.000) 16.170 4.919 ( 15.926 0.009 7.485) 17.597 5.197 ( -1.330 -2.515 -0.446) 2.880 5.484 ( -8.591 3.295 -4.071) 10.061 5.684 ( -2.484 0.480 -4.252) 4.948 5.718 ( -2.784 -2.864 -10.826) 11.539 6.461 ( -13.672 -6.679 -1.402) 15.280 6.970 ( -6.946 3.052 8.676) 11.526 7.281 ( -5.141 -5.448 0.530) 7.509 7.884 ( -0.668 -3.479 -17.251) 17.611 8.956 ( 8.663 -0.982 2.731) 9.136 9.537 ( 8.339 3.028 -0.697) 8.899 10.048 ( -18.952 -0.649 -1.302) 19.008 10.574 ( -10.680 3.681 6.113) 12.845 15.748 ( 9.139 7.207 -11.694) 16.499 16.167 ( 11.037 -11.661 -13.254) 20.820 16.345 ( -6.498 12.216 10.010) 17.078 16.765 ( -3.475 -5.740 6.149) 9.101 19.025 ( -5.860 -1.126 2.847) 6.612 20.459 ( 0.313 0.792 -1.817) 2.007 ======================= Grid point 184 (83/282) ======================= q-point: (-0.10 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -15.428 -16.237 -4.137) 22.777 1.540 ( -15.123 -16.697 -5.254) 23.132 2.022 ( -7.895 -15.305 9.193) 19.521 2.338 ( -8.012 -5.744 -2.688) 10.218 2.559 ( 1.089 -3.971 1.310) 4.321 2.726 ( -9.288 -12.642 -1.070) 15.723 2.945 ( 6.377 -2.501 -6.038) 9.131 3.107 ( -12.767 -14.815 -2.941) 19.776 3.258 ( -7.637 -9.658 -7.635) 14.488 3.421 ( -4.510 0.074 -4.926) 6.679 3.700 ( -4.604 -13.246 6.681) 15.533 5.066 ( 8.000 -0.903 1.257) 8.148 5.203 ( -3.175 0.615 0.299) 3.248 5.368 ( -4.880 -0.403 1.013) 5.000 5.517 ( 3.196 12.867 -6.174) 14.625 5.802 ( -1.900 -15.516 -8.703) 17.891 6.462 ( -10.185 -6.533 -0.175) 12.101 6.888 ( -7.657 6.064 9.936) 13.933 7.385 ( -3.695 -9.834 1.070) 10.560 7.864 ( 1.922 -7.652 -16.434) 18.229 9.064 ( 8.458 0.533 1.392) 8.588 9.512 ( 6.042 5.317 -6.166) 10.139 9.915 ( -17.238 -3.044 6.056) 18.523 10.453 ( -11.313 2.421 7.535) 13.807 15.703 ( 8.763 2.984 -2.476) 9.582 16.095 ( -6.061 13.621 9.153) 17.494 16.394 ( 7.206 -8.797 -9.626) 14.899 16.802 ( -2.752 -2.441 -4.168) 5.559 19.047 ( -3.220 -3.859 5.169) 7.209 20.431 ( -0.161 1.185 -1.540) 1.950 ======================= Grid point 193 (84/282) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -17.668 0.000 6.642) 18.875 1.086 ( -24.904 0.000 -0.980) 24.923 1.792 ( -15.354 0.000 3.721) 15.798 1.967 ( -40.832 0.000 -7.474) 41.510 2.269 ( -20.743 0.000 2.030) 20.843 2.773 ( 5.934 -0.000 0.504) 5.955 2.818 ( -2.973 0.000 -4.646) 5.516 2.935 ( 6.871 -0.000 -3.992) 7.946 3.080 ( -11.104 0.000 0.756) 11.129 3.384 ( 8.038 -0.000 -0.731) 8.071 3.604 ( -8.342 0.000 -13.021) 15.464 5.078 ( 10.911 -0.000 -1.255) 10.983 5.142 ( -3.282 0.000 0.575) 3.332 5.371 ( -11.330 0.000 -3.567) 11.879 5.493 ( -1.525 0.000 -13.652) 13.737 5.815 ( 1.895 -0.000 8.410) 8.621 6.238 ( -14.104 0.000 -2.298) 14.290 6.998 ( -5.811 0.000 9.324) 10.986 7.184 ( -4.634 0.000 -0.517) 4.662 7.737 ( 1.082 -0.000 -18.406) 18.438 9.026 ( 6.035 -0.000 1.407) 6.197 9.599 ( 4.589 -0.000 -7.897) 9.134 9.885 ( -15.605 0.000 5.401) 16.513 10.583 ( -9.630 0.000 13.780) 16.811 15.874 ( 13.196 -0.000 -14.182) 19.372 16.011 ( 9.812 -0.000 -13.723) 16.870 16.489 ( -6.273 0.000 9.027) 10.993 16.694 ( -6.278 0.000 6.655) 9.149 18.993 ( -4.462 0.000 5.235) 6.879 20.448 ( -0.538 0.000 -2.350) 2.411 ======================= Grid point 194 (85/282) ======================= q-point: (-0.10 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -20.115 -14.892 -1.678) 25.084 1.018 ( -20.965 -20.781 -3.427) 29.718 1.568 ( -39.468 -13.419 3.886) 41.867 1.925 ( -8.764 -19.896 -1.667) 21.805 2.256 ( -21.764 -21.533 12.660) 33.131 2.763 ( 4.247 6.215 0.399) 7.538 2.848 ( 1.502 -5.332 -1.766) 5.815 2.966 ( 7.469 0.733 -3.379) 8.231 3.067 ( -5.551 -5.120 -1.049) 7.624 3.381 ( -4.575 4.379 -16.045) 17.249 3.545 ( 4.048 -8.964 5.449) 11.244 5.097 ( 1.449 0.063 -4.089) 4.338 5.159 ( -2.886 -2.671 0.475) 3.961 5.292 ( -5.533 -2.347 2.317) 6.441 5.504 ( -0.002 -10.589 -8.508) 13.583 5.727 ( -0.397 13.219 -1.787) 13.345 6.230 ( -6.915 -9.541 -1.679) 11.902 6.981 ( -5.950 3.829 11.171) 13.223 7.232 ( -0.792 -8.546 2.057) 8.826 7.665 ( 2.689 -5.345 -18.956) 19.878 9.110 ( 5.624 -3.014 0.131) 6.382 9.522 ( -2.311 1.824 -10.678) 11.077 9.830 ( -8.286 0.109 9.902) 12.912 10.509 ( -12.510 10.129 17.683) 23.912 15.839 ( 12.036 3.623 -2.733) 12.863 16.194 ( 11.330 -12.141 -14.321) 21.928 16.352 ( -6.927 12.180 9.935) 17.177 16.676 ( -7.664 -2.498 -6.944) 10.639 19.021 ( -2.193 -1.696 9.009) 9.426 20.425 ( -0.606 0.180 -2.007) 2.105 ======================= Grid point 204 (86/282) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( -23.810 0.000 3.460) 24.060 0.574 ( -29.425 0.000 0.736) 29.435 1.065 ( -48.458 0.000 18.595) 51.903 1.685 ( -7.131 0.000 7.980) 10.702 1.903 ( -23.875 0.000 16.582) 29.069 2.787 ( -1.425 0.000 0.889) 1.680 2.877 ( 4.717 -0.000 -2.635) 5.403 2.940 ( -4.664 0.000 1.566) 4.920 3.044 ( 6.386 -0.000 -2.179) 6.748 3.215 ( -8.404 0.000 -20.231) 21.907 3.561 ( 10.307 -0.000 0.719) 10.332 5.052 ( -2.356 0.000 -6.723) 7.124 5.089 ( -3.986 0.000 1.777) 4.364 5.232 ( -6.269 0.000 1.370) 6.417 5.377 ( 2.453 -0.000 -4.630) 5.239 5.925 ( 3.899 -0.000 -2.264) 4.508 6.011 ( -7.003 0.000 0.442) 7.017 7.058 ( -3.510 0.000 16.360) 16.733 7.109 ( -2.018 0.000 -1.162) 2.329 7.478 ( -4.467 0.000 -18.065) 18.609 9.111 ( 2.685 -0.000 -0.944) 2.846 9.447 ( -3.476 0.000 -6.284) 7.181 9.837 ( -3.605 0.000 6.862) 7.752 10.785 ( 3.866 -0.000 25.643) 25.933 16.008 ( 14.137 -0.000 0.059) 14.137 16.010 ( 9.621 -0.000 -13.768) 16.796 16.472 ( -15.194 0.000 -16.294) 22.279 16.494 ( -6.187 0.000 9.297) 11.168 19.087 ( 2.085 -0.000 13.813) 13.970 20.408 ( -0.205 0.000 -1.535) 1.549 ======================= Grid point 205 (87/282) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 3.164 -0.000 23.889) 24.097 1.156 ( 6.800 -0.000 24.464) 25.392 1.988 ( -3.430 0.000 13.793) 14.213 1.992 ( -2.933 0.000 39.891) 39.999 2.356 ( -12.425 0.000 18.761) 22.503 2.774 ( 4.293 -0.000 -9.233) 10.182 2.939 ( 1.619 -0.000 -5.771) 5.993 3.005 ( 0.896 -0.000 13.222) 13.253 3.023 ( -1.832 0.000 11.700) 11.843 3.171 ( 4.232 -0.000 -9.911) 10.776 3.371 ( 8.935 -0.000 6.108) 10.823 4.944 ( 0.198 -0.000 -5.246) 5.250 5.024 ( -4.595 0.000 -1.757) 4.919 5.292 ( 5.712 -0.000 4.174) 7.074 5.432 ( 7.893 -0.000 -2.438) 8.261 5.882 ( -6.029 0.000 -3.966) 7.216 6.325 ( 6.762 -0.000 19.226) 20.380 7.041 ( 0.850 -0.000 -1.290) 1.545 7.308 ( -7.315 0.000 10.128) 12.494 7.575 ( 8.609 -0.000 3.778) 9.401 8.996 ( -0.773 0.000 -7.435) 7.475 9.301 ( 5.913 -0.000 -7.196) 9.314 10.117 ( -3.567 0.000 14.949) 15.369 10.828 ( -13.138 0.000 7.087) 14.927 15.721 ( 1.116 -0.000 -13.932) 13.977 15.725 ( 9.527 -0.000 -13.853) 16.813 16.650 ( 11.424 -0.000 5.910) 12.862 16.668 ( -4.222 0.000 6.852) 8.048 19.185 ( -10.850 0.000 4.975) 11.937 20.388 ( 2.589 -0.000 -1.478) 2.981 ======================= Grid point 206 (88/282) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 2.197 -11.517 18.730) 22.097 1.432 ( 7.421 -7.212 18.648) 21.327 2.139 ( -6.655 -6.099 11.213) 14.394 2.222 ( 4.967 -3.152 19.310) 20.186 2.472 ( -7.602 -11.604 8.295) 16.163 2.762 ( 4.924 -0.135 -7.333) 8.834 2.881 ( -0.037 1.959 -6.426) 6.718 3.044 ( 4.436 -0.608 5.457) 7.059 3.213 ( 5.813 -9.233 21.461) 24.075 3.330 ( -2.677 -15.207 5.299) 16.325 3.567 ( 12.589 -1.187 11.797) 17.293 4.874 ( -2.231 2.217 -8.355) 8.927 4.981 ( 0.608 -1.143 -5.903) 6.044 5.395 ( 6.118 0.437 3.150) 6.895 5.599 ( 9.347 -10.713 -3.743) 14.702 5.719 ( -7.423 4.015 -2.210) 8.724 6.543 ( 7.729 -1.097 20.419) 21.860 7.130 ( -0.113 -8.625 0.167) 8.627 7.281 ( -8.758 2.958 12.101) 15.228 7.708 ( 11.518 -2.733 0.782) 11.864 8.936 ( -2.444 -1.137 -10.178) 10.529 9.292 ( 7.591 2.722 -8.971) 12.063 10.202 ( -3.320 -1.281 16.986) 17.355 10.734 ( -8.228 4.513 11.249) 14.649 15.603 ( 3.720 2.602 -11.562) 12.421 15.880 ( 10.930 -12.949 -16.112) 23.383 16.560 ( -6.098 11.718 8.905) 15.931 16.759 ( 4.817 0.072 3.972) 6.244 19.155 ( -8.008 -2.880 5.987) 10.405 20.403 ( 2.570 0.178 -1.738) 3.108 ======================= Grid point 207 (89/282) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 4.377 -10.209 13.539) 17.512 1.746 ( 5.024 -11.140 9.337) 15.379 2.148 ( -5.286 0.457 1.911) 5.640 2.362 ( -2.112 -1.691 5.955) 6.540 2.592 ( -2.784 -1.083 -1.780) 3.477 2.769 ( -0.327 0.973 -5.507) 5.602 2.867 ( 7.488 -9.207 -10.829) 16.065 3.275 ( 9.049 -10.630 12.413) 18.681 3.650 ( 0.635 -16.625 16.156) 23.190 3.663 ( 4.874 -17.896 22.921) 29.486 3.785 ( 8.537 -2.677 12.323) 15.228 4.738 ( -4.870 1.277 -10.843) 11.955 4.964 ( 2.468 0.404 -10.117) 10.422 5.338 ( -1.974 6.609 -4.063) 8.006 5.643 ( 5.116 1.236 0.391) 5.278 5.922 ( 8.129 -15.070 0.999) 17.152 6.751 ( 5.643 0.951 18.724) 19.579 7.194 ( -9.275 5.635 14.760) 18.321 7.327 ( -0.859 -13.525 0.893) 13.581 7.899 ( 13.323 -6.187 -0.536) 14.700 8.833 ( -4.301 0.541 -12.982) 13.686 9.219 ( 5.994 6.264 -10.605) 13.698 10.328 ( -1.630 -2.649 17.585) 17.858 10.690 ( -4.166 3.385 11.027) 12.264 15.555 ( 4.041 -0.175 -7.775) 8.764 16.080 ( 8.237 -10.144 -13.027) 18.452 16.354 ( -5.843 10.936 8.395) 14.973 16.795 ( 0.809 1.050 1.837) 2.265 19.198 ( -4.008 -3.825 6.493) 8.536 20.400 ( 1.431 0.975 -2.195) 2.796 ======================= Grid point 208 (90/282) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 3.855 -3.920 7.439) 9.250 2.010 ( 1.547 -11.871 3.322) 12.424 2.120 ( -3.085 -0.049 1.969) 3.661 2.369 ( -1.485 0.146 2.000) 2.495 2.510 ( -1.837 3.002 -4.525) 5.732 2.672 ( 0.091 4.522 -7.396) 8.669 3.077 ( 9.923 -13.798 -11.381) 20.455 3.585 ( 7.175 -5.584 5.514) 10.633 3.936 ( 5.947 0.851 12.658) 14.011 4.080 ( 0.146 -17.246 14.193) 22.336 4.154 ( -0.865 -20.671 19.305) 28.297 4.645 ( -5.655 -6.035 -8.847) 12.111 4.818 ( 1.628 9.818 -12.443) 15.934 5.217 ( 2.966 3.526 -6.118) 7.659 5.677 ( 5.220 3.742 5.290) 8.321 6.236 ( 6.232 -12.519 2.247) 14.164 6.833 ( 0.535 6.673 14.190) 15.689 7.103 ( -8.582 7.180 16.889) 20.260 7.604 ( 0.884 -18.675 -0.279) 18.698 8.144 ( 13.744 -7.757 -2.619) 15.998 8.673 ( -4.860 1.735 -12.395) 13.427 9.053 ( 2.863 9.925 -11.166) 15.211 10.482 ( -0.010 -2.795 15.761) 16.007 10.668 ( -3.797 3.445 8.891) 10.263 15.577 ( 3.789 -2.317 -3.190) 5.468 16.053 ( -4.823 11.129 9.403) 15.347 16.355 ( 4.462 -10.043 -10.226) 15.011 16.772 ( -0.974 1.861 -0.837) 2.261 19.278 ( -1.142 -3.109 6.478) 7.276 20.369 ( -0.074 1.492 -2.330) 2.768 ======================= Grid point 209 (91/282) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 4.244 -4.665 5.274) 8.221 2.070 ( -5.647 2.975 3.957) 7.510 2.197 ( 0.256 -7.248 0.883) 7.306 2.330 ( -1.331 2.830 -6.638) 7.338 2.497 ( 2.901 -1.081 -2.525) 3.995 2.533 ( 1.023 3.942 -4.566) 6.118 3.340 ( 10.121 -14.069 -9.419) 19.725 3.594 ( 0.260 5.513 -9.133) 10.671 4.030 ( 1.830 -0.342 5.064) 5.395 4.274 ( -11.849 0.228 -5.156) 12.924 4.453 ( -3.922 -2.486 10.967) 11.910 4.631 ( 1.562 -3.630 6.018) 7.200 4.817 ( 7.899 -10.957 -1.262) 13.566 5.172 ( 3.647 2.150 -2.302) 4.819 5.689 ( 3.601 5.385 8.388) 10.598 6.462 ( 2.782 -6.693 3.899) 8.230 6.753 ( -4.380 9.695 11.386) 15.582 7.024 ( -6.600 6.940 13.934) 16.908 7.872 ( -0.586 -11.714 -7.428) 13.883 8.302 ( 6.015 -5.493 -6.937) 10.700 8.598 ( 1.160 1.179 -3.605) 3.967 8.843 ( 3.447 4.910 -10.176) 11.813 10.601 ( -4.662 2.852 9.784) 11.207 10.623 ( -1.175 1.332 10.867) 11.011 15.651 ( 1.552 -3.760 1.981) 4.524 15.898 ( -3.365 10.128 11.116) 15.410 16.480 ( -0.272 -8.550 -7.919) 11.657 16.720 ( 1.580 1.641 -4.996) 5.491 19.347 ( 0.047 -0.413 5.451) 5.467 20.331 ( -0.997 0.407 -1.723) 2.031 ======================= Grid point 210 (92/282) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -3.296 4.916 2.061) 6.268 2.111 ( -2.574 4.057 1.515) 5.037 2.179 ( 2.289 -4.809 1.529) 5.541 2.325 ( 0.341 3.561 -4.450) 5.710 2.352 ( -2.243 -2.638 -3.050) 4.614 2.653 ( 8.542 -5.537 -3.825) 10.874 3.373 ( -3.506 6.320 -14.377) 16.091 3.543 ( 5.362 -1.124 -1.708) 5.739 3.886 ( -9.648 17.124 -14.716) 24.554 4.081 ( -2.279 -7.559 -4.120) 8.905 4.474 ( -3.645 5.894 9.384) 11.665 4.729 ( -0.399 2.194 3.920) 4.510 5.010 ( 9.412 -1.765 -0.775) 9.607 5.236 ( -0.606 -5.612 7.215) 9.160 5.683 ( 1.610 6.087 10.670) 12.389 6.516 ( -0.069 7.744 4.566) 8.990 6.660 ( -4.015 2.000 7.060) 8.364 6.930 ( -9.000 3.968 8.946) 13.296 7.801 ( -4.930 4.205 -10.902) 12.683 8.362 ( -1.989 14.632 -8.289) 16.934 8.530 ( 5.699 -14.009 -1.203) 15.172 8.953 ( 9.118 -9.759 -5.529) 14.455 10.489 ( -8.448 7.364 8.555) 14.099 10.682 ( -1.946 1.744 10.660) 10.975 15.736 ( -7.554 -3.711 10.453) 13.420 15.837 ( 7.003 4.972 5.974) 10.462 16.493 ( -7.843 -2.896 -4.217) 9.364 16.699 ( 7.022 0.290 -9.752) 12.021 19.355 ( -0.275 3.253 4.131) 5.265 20.324 ( -0.868 -1.764 -0.756) 2.106 ======================= Grid point 211 (93/282) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -5.978 13.893 -1.661) 15.215 1.894 ( -13.186 10.443 -0.594) 16.831 2.244 ( 4.107 -1.110 0.353) 4.269 2.385 ( 4.137 -3.320 0.752) 5.357 2.443 ( 3.184 -8.318 -0.881) 8.950 2.780 ( 7.867 -3.974 -5.651) 10.470 3.156 ( -4.857 3.358 -12.583) 13.899 3.319 ( -3.034 23.243 -8.897) 25.072 3.508 ( -6.055 12.577 2.856) 14.248 4.165 ( -10.116 -1.167 3.056) 10.632 4.317 ( -4.640 13.380 7.918) 16.225 4.660 ( 8.223 1.133 -9.681) 12.752 5.077 ( 4.771 0.589 -2.130) 5.258 5.347 ( -1.706 -1.994 7.909) 8.333 5.659 ( -0.531 6.900 11.580) 13.490 6.293 ( 0.188 18.124 -3.591) 18.477 6.631 ( -5.494 2.722 2.586) 6.654 6.901 ( -11.003 -4.979 11.022) 16.350 7.623 ( -5.240 5.345 -1.313) 7.599 8.028 ( 0.688 16.243 -8.406) 18.302 8.813 ( 4.860 -13.770 -2.134) 14.758 9.136 ( 7.957 -7.259 -8.623) 13.797 10.333 ( -10.445 8.307 11.404) 17.554 10.671 ( -5.201 3.434 9.989) 11.773 15.786 ( -5.792 -2.289 13.226) 14.619 15.935 ( 7.497 -2.160 4.644) 9.079 16.401 ( -8.350 0.050 -5.574) 10.040 16.671 ( 6.493 3.158 -11.711) 13.758 19.307 ( -0.992 4.495 4.231) 6.252 20.352 ( -0.334 -2.339 -0.496) 2.415 ======================= Grid point 212 (94/282) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -9.256 17.838 2.746) 20.283 1.544 ( -15.750 14.257 2.645) 21.409 2.351 ( 0.946 0.054 1.786) 2.022 2.364 ( 4.623 9.437 0.128) 10.510 2.563 ( -0.093 -3.450 -4.282) 5.500 2.813 ( 5.316 5.297 -6.280) 9.786 2.932 ( -5.315 1.438 -2.932) 6.238 3.057 ( 7.080 4.946 -6.161) 10.609 3.257 ( -7.534 13.434 7.025) 16.929 3.835 ( -15.646 28.034 15.295) 35.561 4.079 ( -5.181 14.867 5.503) 16.678 4.851 ( 11.876 -18.488 -16.324) 27.374 5.061 ( 0.361 1.824 -2.183) 2.868 5.373 ( -0.676 2.742 4.441) 5.262 5.585 ( -5.172 7.401 8.676) 12.522 5.949 ( 3.107 19.618 -3.918) 20.246 6.478 ( -7.507 8.124 -0.866) 11.096 7.012 ( -9.193 -8.778 13.276) 18.379 7.512 ( -4.910 4.192 5.456) 8.453 7.751 ( 4.433 13.947 -7.846) 16.605 9.030 ( 5.250 -8.833 -3.500) 10.855 9.212 ( 4.583 -3.079 -11.205) 12.491 10.189 ( -10.353 7.076 13.694) 18.569 10.632 ( -8.845 1.091 11.980) 14.931 15.903 ( 0.697 -4.557 11.472) 12.363 16.080 ( 3.997 -4.393 3.618) 6.954 16.271 ( -7.281 1.125 -6.713) 9.967 16.547 ( 5.335 8.016 -13.563) 16.633 19.266 ( -1.624 2.756 5.832) 6.652 20.377 ( 0.145 -1.174 -0.909) 1.491 ======================= Grid point 213 (95/282) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -6.280 17.567 13.233) 22.872 1.213 ( -12.330 15.213 12.204) 23.074 2.014 ( -7.092 23.914 12.393) 27.852 2.302 ( -4.656 10.992 7.223) 13.953 2.651 ( 4.534 -6.596 -3.209) 8.623 2.772 ( 6.350 1.575 -8.164) 10.462 2.898 ( -4.771 3.604 4.403) 7.425 3.037 ( 4.569 2.636 -5.360) 7.520 3.064 ( -4.072 7.025 5.229) 9.658 3.308 ( -10.940 27.644 17.500) 34.498 3.830 ( -2.764 14.186 0.659) 14.468 5.002 ( -2.367 -1.465 -6.412) 6.990 5.118 ( 2.919 -7.040 -10.120) 12.669 5.308 ( -3.639 2.773 5.061) 6.822 5.517 ( 2.676 -0.901 3.538) 4.527 5.701 ( 5.470 16.099 3.320) 17.324 6.271 ( -3.748 8.294 1.142) 9.173 7.154 ( -7.605 -6.601 12.426) 15.994 7.451 ( -5.336 3.859 4.529) 7.992 7.525 ( 6.754 13.071 -5.114) 15.576 9.126 ( 6.519 1.474 -7.330) 9.920 9.222 ( 0.185 -5.698 -7.106) 9.110 10.095 ( -7.677 4.772 13.283) 16.067 10.667 ( -11.321 -6.864 14.355) 19.528 16.022 ( -4.763 -2.036 -7.945) 9.485 16.115 ( 4.759 5.510 -11.015) 13.203 16.204 ( 4.929 -0.600 5.952) 7.752 16.424 ( 2.004 -0.293 1.309) 2.411 19.264 ( -3.095 0.421 6.704) 7.396 20.382 ( 0.750 -0.017 -1.340) 1.536 ======================= Grid point 214 (96/282) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -1.722 17.499 20.077) 26.689 1.001 ( 2.748 8.886 23.789) 25.543 1.811 ( -8.444 7.686 33.721) 35.602 2.093 ( -6.439 14.244 13.635) 20.743 2.538 ( -15.080 18.013 15.125) 27.940 2.770 ( 3.210 -2.411 -4.905) 6.339 2.863 ( 5.534 -1.895 1.079) 5.948 2.982 ( 0.762 0.574 -3.561) 3.687 3.009 ( -3.703 2.730 6.836) 8.240 3.149 ( 9.132 5.300 6.550) 12.425 3.527 ( -4.072 15.324 -6.690) 17.210 4.969 ( -1.514 -0.424 -2.350) 2.827 5.066 ( -3.462 -0.497 -4.200) 5.466 5.278 ( -1.825 3.202 4.797) 6.049 5.491 ( 6.681 12.306 -1.681) 14.103 5.776 ( 5.335 -12.613 1.530) 13.780 6.201 ( 2.743 4.076 10.636) 11.715 7.170 ( -2.974 9.672 0.832) 10.153 7.297 ( -5.451 -0.058 4.484) 7.059 7.496 ( 4.602 2.418 6.270) 8.144 9.064 ( 1.440 2.609 -7.107) 7.706 9.278 ( 3.241 -3.178 -6.120) 7.619 10.072 ( -4.622 1.894 13.506) 14.400 10.806 ( -12.429 -10.944 9.429) 19.057 15.825 ( -6.912 4.203 -16.649) 18.510 15.892 ( 7.933 10.151 -14.847) 19.657 16.446 ( 17.079 -2.106 9.586) 19.699 16.558 ( -4.694 -9.639 8.152) 13.469 19.254 ( -7.386 0.373 4.916) 8.880 20.380 ( 1.625 0.252 -1.516) 2.237 ======================= Grid point 216 (97/282) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -4.147 0.000 18.432) 18.893 1.579 ( 6.899 -0.000 19.096) 20.304 2.127 ( -1.053 0.000 13.343) 13.385 2.333 ( 2.125 -0.000 5.953) 6.321 2.382 ( -4.915 0.000 8.880) 10.149 2.741 ( 1.652 -0.000 -10.881) 11.005 2.849 ( 1.363 -0.000 -9.038) 9.140 3.175 ( 1.690 -0.000 14.267) 14.367 3.205 ( 2.147 -0.000 11.972) 12.163 3.346 ( 11.466 -0.000 21.136) 24.046 3.822 ( 16.947 -0.000 16.251) 23.479 4.784 ( -5.006 0.000 -16.350) 17.099 4.926 ( 0.118 -0.000 -6.149) 6.150 5.469 ( 0.621 -0.000 -1.662) 1.775 5.580 ( 10.691 -0.000 -1.636) 10.816 5.681 ( 0.496 -0.000 2.704) 2.749 6.733 ( 7.432 -0.000 15.464) 17.157 7.107 ( 4.274 -0.000 6.702) 7.949 7.304 ( -9.717 0.000 12.977) 16.212 7.797 ( 11.489 -0.000 0.024) 11.489 8.826 ( -3.874 0.000 -11.365) 12.008 9.318 ( 6.835 -0.000 -10.580) 12.596 10.288 ( -1.169 0.000 17.801) 17.839 10.778 ( -4.885 0.000 9.920) 11.058 15.662 ( 10.480 -0.000 -13.514) 17.101 15.719 ( 9.515 -0.000 -13.857) 16.809 16.678 ( -4.438 0.000 6.822) 8.139 16.775 ( -3.465 0.000 3.533) 4.949 19.110 ( -4.875 0.000 7.600) 9.029 20.415 ( 2.448 -0.000 -2.460) 3.471 ======================= Grid point 217 (98/282) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -5.952 -13.911 13.528) 20.296 1.780 ( 6.084 -1.985 13.902) 15.304 2.166 ( -0.514 2.137 2.251) 3.146 2.364 ( -0.504 -0.418 1.447) 1.588 2.510 ( -1.999 -7.388 9.666) 12.329 2.685 ( 0.206 -2.916 -7.759) 8.292 2.789 ( 3.787 0.347 -12.658) 13.217 3.321 ( 5.079 -4.766 16.439) 17.853 3.424 ( -1.342 -11.685 12.888) 17.448 3.696 ( 12.924 -8.016 20.340) 25.397 4.075 ( 15.783 3.086 18.940) 24.847 4.556 ( -13.745 0.563 -19.132) 23.564 4.914 ( 3.136 -2.137 -8.819) 9.601 5.378 ( -2.642 4.019 -4.347) 6.483 5.718 ( 10.829 -2.240 -0.366) 11.064 5.847 ( 14.064 -7.403 3.528) 16.280 6.892 ( 4.803 -2.526 8.431) 10.027 7.240 ( 4.235 -1.685 11.941) 12.781 7.276 ( -9.968 2.604 14.693) 17.945 7.936 ( 12.081 -3.727 -0.367) 12.648 8.699 ( -5.543 -0.009 -13.616) 14.701 9.270 ( 3.882 3.198 -11.445) 12.501 10.417 ( 1.469 -0.985 17.240) 17.330 10.786 ( -1.625 2.811 8.906) 9.480 15.594 ( 9.282 4.089 -9.552) 13.932 15.872 ( 10.710 -11.874 -15.147) 22.025 16.555 ( -6.933 11.320 8.446) 15.734 16.784 ( -4.313 -1.830 1.115) 4.816 19.161 ( -1.652 -2.938 8.373) 9.026 20.410 ( 1.454 0.730 -3.280) 3.661 ======================= Grid point 218 (99/282) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -4.610 -16.017 6.783) 17.995 1.904 ( 2.058 -0.237 6.093) 6.436 2.171 ( 5.047 0.314 2.017) 5.444 2.363 ( -0.877 -0.465 -1.578) 1.864 2.522 ( -2.737 3.013 1.196) 4.242 2.680 ( 0.404 2.413 -7.058) 7.470 2.875 ( 6.512 -12.005 -7.283) 15.478 3.611 ( 5.900 -7.112 12.320) 15.401 3.752 ( -3.950 -21.650 12.940) 25.530 3.992 ( -5.278 -6.647 6.840) 10.901 4.179 ( 5.000 6.711 3.272) 8.986 4.435 ( -0.772 -8.360 3.139) 8.963 4.904 ( 5.578 2.194 -7.510) 9.608 5.281 ( 4.959 4.162 -6.310) 9.040 5.828 ( 9.994 2.060 2.830) 10.589 6.162 ( 14.619 -10.384 1.536) 17.997 6.993 ( -0.589 1.130 7.601) 7.707 7.225 ( -9.745 2.674 14.493) 17.668 7.411 ( 4.455 -5.244 9.464) 11.701 8.138 ( 12.363 -6.224 -2.149) 14.007 8.543 ( -6.396 -0.194 -13.230) 14.697 9.131 ( 0.397 6.800 -11.319) 13.211 10.569 ( 2.804 -1.266 15.041) 15.352 10.772 ( -0.712 4.407 7.300) 8.556 15.592 ( 7.921 0.492 -4.670) 9.208 16.062 ( 7.874 -10.521 -12.102) 17.864 16.352 ( -6.389 11.139 8.609) 15.460 16.753 ( -3.912 0.088 -2.130) 4.455 19.269 ( 0.108 -3.547 8.463) 9.177 20.373 ( 0.050 1.602 -3.709) 4.040 ======================= Grid point 219 (100/282) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -4.386 -10.095 2.392) 11.264 1.977 ( 2.454 -3.283 4.923) 6.406 2.224 ( 6.487 2.796 2.309) 7.432 2.322 ( -1.910 2.181 -5.741) 6.432 2.500 ( 3.590 -1.009 0.416) 3.752 2.566 ( -0.853 4.668 -6.702) 8.212 3.112 ( 7.530 -15.117 -7.936) 18.660 3.586 ( -8.796 6.601 -13.800) 17.646 4.039 ( -9.590 -10.537 1.313) 14.308 4.126 ( -5.523 -5.644 13.871) 15.961 4.259 ( 4.353 -11.074 5.424) 13.077 4.609 ( -0.481 -4.515 5.294) 6.975 4.909 ( 13.259 2.067 1.693) 13.526 5.243 ( 6.584 3.153 -5.009) 8.853 5.880 ( 7.168 5.117 6.305) 10.831 6.443 ( 12.157 -6.276 1.515) 13.766 6.930 ( -6.176 8.173 9.570) 14.019 7.178 ( -6.280 5.647 10.594) 13.548 7.639 ( 2.934 -11.419 2.430) 12.038 8.216 ( 0.554 -0.953 -12.294) 12.343 8.539 ( 4.117 -7.783 -0.710) 8.833 8.912 ( -1.320 9.065 -10.986) 14.304 10.686 ( -0.476 2.027 10.241) 10.451 10.733 ( 0.525 3.878 8.277) 9.156 15.650 ( 4.576 -1.207 0.679) 4.781 16.106 ( -2.143 7.633 8.283) 11.466 16.286 ( 1.030 -6.410 -7.438) 9.873 16.696 ( -1.186 -0.133 -5.777) 5.899 19.377 ( 0.812 -1.999 7.238) 7.552 20.317 ( -1.147 1.372 -3.146) 3.618 ======================= Grid point 220 (101/282) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -3.691 -2.010 2.256) 4.770 2.134 ( 3.105 -4.614 5.713) 7.973 2.191 ( 1.137 5.442 -6.685) 8.695 2.259 ( 4.013 -0.194 0.531) 4.053 2.405 ( -0.780 6.062 -5.165) 8.002 2.620 ( 7.182 -5.075 -2.896) 9.259 3.256 ( -13.525 3.512 -17.314) 22.249 3.410 ( 7.607 -16.629 -7.861) 19.905 3.971 ( -3.705 8.765 -6.654) 11.612 4.082 ( 0.379 9.343 0.020) 9.351 4.505 ( -5.074 -7.078 9.468) 12.864 4.721 ( -1.406 -6.303 5.518) 8.495 5.075 ( 10.549 -2.309 4.257) 11.608 5.229 ( 2.015 0.859 1.210) 2.502 5.887 ( 3.396 6.600 9.823) 12.312 6.601 ( 6.035 -0.037 1.708) 6.273 6.785 ( -4.560 8.991 8.014) 12.878 7.035 ( -6.083 9.710 2.548) 11.738 7.748 ( -2.158 0.118 -2.204) 3.086 8.257 ( 0.564 -13.219 -5.221) 14.224 8.554 ( -2.336 10.684 -4.004) 11.646 8.845 ( 7.745 -8.593 -6.394) 13.218 10.606 ( -4.774 7.655 7.080) 11.468 10.779 ( 0.005 2.326 9.684) 9.959 15.704 ( -3.067 -0.955 6.974) 7.678 16.043 ( 3.693 6.363 9.672) 12.152 16.318 ( -5.919 -4.502 -6.859) 10.117 16.682 ( 4.834 -2.062 -8.994) 10.417 19.429 ( 0.533 1.614 4.639) 4.941 20.281 ( -1.438 -0.870 -1.422) 2.202 ======================= Grid point 221 (102/282) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -1.933 9.402 -2.344) 9.880 1.976 ( -5.457 10.922 -0.590) 12.224 2.236 ( 0.305 -1.958 -0.011) 1.982 2.313 ( 2.015 -3.741 -1.755) 4.597 2.437 ( 11.467 -4.167 0.469) 12.210 2.751 ( 7.984 -4.436 -3.389) 9.742 2.998 ( -11.657 -0.558 -13.431) 17.793 3.635 ( 7.097 8.496 -3.687) 11.668 3.668 ( 0.572 11.449 -4.773) 12.417 3.941 ( -3.590 -3.852 -6.905) 8.683 4.504 ( -5.169 7.315 6.891) 11.301 4.777 ( 0.938 3.534 2.554) 4.459 5.138 ( 3.781 2.471 -1.245) 4.685 5.324 ( -2.181 -5.109 9.461) 10.971 5.850 ( -2.128 7.795 10.334) 13.118 6.529 ( -0.387 11.841 -1.760) 11.977 6.688 ( 1.753 5.200 -1.817) 5.780 6.856 ( -8.161 4.247 8.231) 12.345 7.669 ( -3.948 4.777 4.379) 7.588 8.230 ( -0.033 13.640 -6.434) 15.082 8.566 ( 1.650 -16.534 -2.374) 16.785 9.027 ( 7.245 -8.521 -7.989) 13.745 10.467 ( -7.055 8.926 9.702) 14.952 10.766 ( -3.395 4.655 8.454) 10.230 15.731 ( -8.506 -2.442 11.590) 14.582 16.094 ( 8.977 2.818 6.524) 11.449 16.245 ( -9.327 -1.872 -5.683) 11.081 16.701 ( 7.059 0.043 -9.791) 12.071 19.400 ( -0.394 4.442 2.708) 5.217 20.300 ( -0.884 -2.879 0.002) 3.012 ======================= Grid point 222 (103/282) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -4.425 14.038 0.817) 14.741 1.709 ( -2.603 16.522 4.010) 17.200 2.322 ( 0.153 -4.331 -0.061) 4.334 2.402 ( 5.298 -5.901 -0.809) 7.972 2.557 ( 6.685 0.074 -7.266) 9.874 2.852 ( -0.306 -2.144 -2.610) 3.391 2.894 ( 3.353 -0.751 -3.079) 4.614 3.286 ( 7.647 20.578 -8.013) 23.370 3.494 ( -4.553 15.431 7.410) 17.713 4.027 ( -7.335 -3.285 2.340) 8.371 4.308 ( -5.618 14.268 6.543) 16.672 4.709 ( 7.888 3.135 -7.794) 11.523 5.109 ( 0.495 2.576 0.700) 2.714 5.410 ( -2.300 -1.356 5.904) 6.479 5.700 ( -9.332 9.353 4.075) 13.826 6.280 ( 5.714 16.596 -2.335) 17.707 6.574 ( -1.029 8.629 -1.196) 8.772 6.878 ( -9.492 -6.608 14.284) 18.379 7.593 ( -3.471 5.378 8.338) 10.511 7.977 ( 4.319 13.975 -5.419) 15.599 8.834 ( 2.379 -15.055 -3.600) 15.661 9.132 ( 5.515 -4.647 -11.604) 13.662 10.323 ( -8.417 8.620 13.187) 17.862 10.691 ( -6.597 5.186 9.190) 12.444 15.801 ( -9.144 -6.383 12.053) 16.420 16.086 ( -6.887 -0.451 -8.577) 11.009 16.241 ( 7.442 0.882 7.343) 10.492 16.660 ( 7.727 5.242 -10.645) 14.160 19.336 ( -1.577 3.991 3.034) 5.256 20.343 ( -0.178 -2.545 0.004) 2.551 ======================= Grid point 223 (104/282) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -3.377 14.420 9.624) 17.662 1.499 ( 3.847 16.108 13.559) 21.403 2.337 ( -1.273 1.494 -0.477) 2.020 2.430 ( -1.499 12.634 -2.761) 13.018 2.579 ( 6.337 -6.258 0.781) 8.940 2.807 ( 3.628 1.718 -8.606) 9.496 2.960 ( 8.128 2.452 7.105) 11.070 3.082 ( 4.340 6.843 -8.048) 11.421 3.256 ( -4.126 14.102 9.038) 17.250 3.807 ( -10.009 23.651 16.924) 30.756 4.044 ( -6.723 16.244 6.649) 18.796 4.784 ( 8.015 -9.826 -17.445) 21.567 5.098 ( -0.518 0.610 2.559) 2.681 5.360 ( -4.358 4.811 -0.626) 6.522 5.556 ( -1.210 0.800 3.116) 3.437 6.062 ( 4.394 17.877 3.405) 18.721 6.414 ( 0.967 8.669 2.871) 9.183 7.030 ( -9.084 -9.251 14.709) 19.607 7.530 ( -3.021 6.076 7.813) 10.348 7.772 ( 7.743 13.161 -5.664) 16.286 9.047 ( 2.309 -11.055 -4.909) 12.314 9.133 ( 4.684 -0.519 -12.806) 13.645 10.213 ( -7.740 6.682 15.118) 18.251 10.626 ( -8.771 1.584 12.089) 15.019 15.839 ( -9.846 -1.260 -4.822) 11.035 16.044 ( -5.932 -8.724 4.089) 11.314 16.326 ( 8.733 4.734 0.191) 9.936 16.571 ( 9.869 5.820 -4.772) 12.411 19.287 ( -3.661 2.144 4.313) 6.050 20.373 ( 0.642 -1.160 -0.668) 1.484 ======================= Grid point 224 (105/282) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.368 11.888 17.768) 21.382 1.427 ( 8.857 14.042 16.984) 23.750 2.186 ( -0.755 15.023 17.102) 22.775 2.267 ( -3.392 5.107 0.749) 6.176 2.668 ( -0.025 1.273 -3.098) 3.349 2.792 ( 4.134 1.676 -4.538) 6.363 2.918 ( -2.257 6.821 -3.719) 8.090 3.029 ( 5.550 5.374 4.953) 9.177 3.153 ( 5.424 5.569 14.615) 16.554 3.476 ( 0.006 19.497 16.759) 25.710 3.724 ( -7.833 17.526 2.814) 19.402 4.870 ( 1.303 -5.843 -8.763) 10.613 5.044 ( -0.094 2.881 -5.439) 6.155 5.333 ( -0.493 -0.980 4.723) 4.849 5.631 ( 4.365 -5.692 -3.493) 7.978 5.813 ( 2.844 16.944 1.791) 17.274 6.395 ( 5.572 4.134 13.581) 15.250 7.176 ( -8.667 -6.305 13.607) 17.321 7.373 ( -4.223 12.006 0.093) 12.727 7.670 ( 10.995 6.744 -0.555) 12.911 9.044 ( -0.936 1.020 -10.889) 10.977 9.207 ( 6.928 -5.853 -7.327) 11.659 10.170 ( -5.370 3.656 15.991) 17.260 10.651 ( -9.343 -4.279 13.450) 16.927 15.685 ( -5.388 1.350 -11.076) 12.390 16.096 ( 8.361 9.305 -12.717) 17.838 16.342 ( -4.353 -10.233 8.446) 13.964 16.645 ( 10.256 -0.096 4.739) 11.298 19.237 ( -6.873 2.110 4.878) 8.688 20.388 ( 1.723 -0.289 -1.251) 2.149 ======================= Grid point 227 (106/282) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -13.018 0.000 17.141) 21.524 1.920 ( 5.831 -0.000 11.975) 13.319 2.179 ( -1.539 0.000 -2.706) 3.113 2.352 ( 1.680 -0.000 -5.296) 5.556 2.535 ( -0.265 0.000 20.760) 20.762 2.610 ( 2.530 -0.000 -9.519) 9.849 2.740 ( 2.299 -0.000 -11.378) 11.608 3.378 ( 0.111 -0.000 10.074) 10.074 3.441 ( -2.843 0.000 19.847) 20.050 3.933 ( 19.580 -0.000 17.379) 26.180 4.238 ( -19.217 0.000 -17.698) 26.125 4.391 ( 13.148 -0.000 14.100) 19.279 4.857 ( 4.589 -0.000 -11.180) 12.085 5.370 ( 0.724 -0.000 -4.319) 4.379 5.795 ( 13.185 -0.000 -0.341) 13.190 5.972 ( 16.419 -0.000 3.370) 16.762 6.934 ( 5.803 -0.000 -0.966) 5.883 7.287 ( -11.263 0.000 14.085) 18.034 7.419 ( 5.531 -0.000 20.860) 21.581 8.010 ( 11.379 -0.000 -0.625) 11.396 8.544 ( -6.788 0.000 -15.021) 16.484 9.242 ( 0.907 -0.000 -11.551) 11.587 10.547 ( 3.784 -0.000 15.432) 15.889 10.857 ( 0.301 -0.000 6.442) 6.449 15.713 ( 9.591 -0.000 -13.813) 16.816 15.729 ( 12.892 -0.000 -9.548) 16.042 16.669 ( -9.129 0.000 0.050) 9.129 16.682 ( -4.702 0.000 6.645) 8.141 19.191 ( 0.136 -0.000 9.496) 9.497 20.404 ( 1.214 -0.000 -4.220) 4.391 ======================= Grid point 228 (107/282) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -11.863 -14.764 13.740) 23.399 1.990 ( 1.541 2.868 4.709) 5.725 2.189 ( 1.497 -4.373 -0.181) 4.626 2.329 ( 2.163 0.244 -5.748) 6.146 2.575 ( 3.057 2.101 -1.083) 3.865 2.678 ( 2.141 1.545 -7.528) 7.977 2.742 ( 1.650 -7.073 8.214) 10.965 3.519 ( -2.729 -10.545 10.522) 15.145 3.593 ( -6.311 -9.511 14.895) 18.766 3.838 ( -16.435 6.960 -15.719) 23.784 4.291 ( 14.023 -6.048 9.741) 18.113 4.534 ( 7.374 6.584 10.317) 14.288 4.892 ( 7.904 -4.982 -7.386) 11.910 5.343 ( 5.225 2.230 -5.811) 8.126 5.954 ( 13.090 -1.932 0.727) 13.251 6.184 ( 16.287 -5.600 0.824) 17.243 6.988 ( 3.832 -1.830 -2.819) 5.097 7.252 ( -11.605 2.429 14.469) 18.706 7.581 ( 4.839 2.927 19.063) 19.884 8.149 ( 10.909 -3.679 -2.222) 11.725 8.375 ( -7.261 -1.038 -13.957) 15.767 9.132 ( -1.954 3.450 -10.958) 11.653 10.686 ( 4.219 -0.320 12.668) 13.356 10.876 ( 0.916 2.809 4.373) 5.277 15.668 ( 10.016 2.685 -8.053) 13.129 15.897 ( 10.989 -8.934 -10.619) 17.701 16.501 ( -8.398 7.621 3.684) 11.924 16.690 ( -4.758 -0.571 0.422) 4.811 19.281 ( 0.228 -2.443 9.617) 9.926 20.373 ( 0.759 1.272 -4.684) 4.913 ======================= Grid point 229 (108/282) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -8.700 -15.373 8.371) 19.547 2.012 ( 3.544 -1.113 3.558) 5.144 2.263 ( -2.907 -3.345 -2.438) 5.058 2.339 ( 9.380 0.088 -3.532) 10.023 2.553 ( 3.189 3.658 0.829) 4.923 2.597 ( 1.732 4.555 -7.610) 9.037 2.922 ( 2.100 -9.635 1.354) 9.954 3.417 ( -20.023 4.072 -18.530) 27.584 3.834 ( -6.191 -20.063 12.548) 24.461 3.856 ( -0.842 -11.359 12.904) 17.212 4.442 ( 9.460 9.654 0.798) 13.540 4.557 ( 0.097 -4.150 3.091) 5.176 5.028 ( 9.987 -2.883 0.865) 10.430 5.321 ( 7.072 2.803 -6.197) 9.812 6.067 ( 9.930 3.348 3.197) 10.956 6.464 ( 14.929 -8.864 -1.390) 17.418 7.000 ( -0.473 0.880 -2.562) 2.750 7.191 ( -11.255 2.438 11.494) 16.271 7.693 ( 5.485 2.436 14.935) 16.096 8.112 ( -4.165 1.528 -14.748) 15.401 8.442 ( 6.751 -9.591 0.533) 11.741 8.948 ( -3.699 6.764 -10.012) 12.636 10.787 ( 1.564 1.708 8.295) 8.612 10.850 ( 0.978 3.641 4.727) 6.046 15.696 ( 7.244 0.182 -2.996) 7.841 16.063 ( 6.274 -7.704 -7.256) 12.303 16.336 ( -5.830 7.254 5.427) 10.773 16.636 ( -1.944 0.411 -4.893) 5.282 19.390 ( -0.425 -2.990 8.416) 8.941 20.317 ( 0.209 2.207 -4.194) 4.744 ======================= Grid point 230 (109/282) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -5.751 -9.984 4.981) 12.552 2.128 ( 1.622 -3.256 4.327) 5.653 2.249 ( 4.491 1.213 -2.842) 5.451 2.380 ( 7.383 4.052 -1.565) 8.567 2.458 ( 0.007 6.060 -5.901) 8.458 2.578 ( 4.828 -3.661 -3.179) 6.842 3.068 ( -12.882 4.702 -14.263) 19.786 3.149 ( 4.786 -15.175 -4.102) 16.432 4.026 ( 2.303 0.407 -0.225) 2.349 4.156 ( -9.234 -10.513 12.351) 18.663 4.376 ( 3.206 -1.356 -2.173) 4.103 4.622 ( -3.021 -4.452 4.462) 6.990 5.164 ( 7.636 -1.500 1.522) 7.929 5.290 ( 4.006 3.354 -3.458) 6.265 6.082 ( 3.575 6.179 5.874) 9.245 6.671 ( 8.194 -1.762 -0.676) 8.408 6.917 ( -0.338 5.287 -4.832) 7.171 7.094 ( -8.105 4.979 5.222) 10.851 7.792 ( 1.395 2.738 10.585) 11.022 8.029 ( -1.162 -8.081 -7.430) 11.038 8.651 ( 3.166 -0.601 1.847) 3.715 8.738 ( 0.097 0.338 -11.046) 11.052 10.732 ( -2.358 6.819 4.085) 8.291 10.872 ( -0.267 1.784 7.023) 7.251 15.729 ( 0.465 0.786 2.677) 2.828 16.146 ( -1.444 -3.645 -2.426) 4.610 16.241 ( -1.127 4.891 5.466) 7.421 16.614 ( 4.588 -2.883 -9.524) 10.958 19.467 ( -1.163 -1.052 5.536) 5.754 20.262 ( -0.106 1.253 -2.322) 2.641 ======================= Grid point 231 (110/282) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -3.042 -2.199 0.594) 3.800 2.098 ( -2.156 6.059 1.947) 6.720 2.234 ( 0.767 3.536 -4.372) 5.675 2.349 ( 6.120 2.935 0.930) 6.851 2.459 ( 7.567 -3.461 -4.759) 9.586 2.690 ( 0.160 -8.386 -6.800) 10.798 2.869 ( 3.340 4.051 -2.024) 5.627 3.449 ( 6.558 -18.744 -7.292) 21.154 3.895 ( 1.192 12.081 -4.175) 12.838 4.070 ( 1.436 14.271 -2.960) 14.645 4.510 ( -5.577 -6.279 6.146) 10.407 4.747 ( -4.022 -8.048 5.862) 10.738 5.186 ( 1.398 2.207 -4.447) 5.158 5.304 ( -0.308 -1.914 6.872) 7.140 5.999 ( -5.348 8.188 5.198) 11.076 6.659 ( -1.375 5.820 2.460) 6.466 6.747 ( -1.719 5.803 -11.991) 13.432 6.996 ( 1.717 8.428 7.098) 11.152 7.777 ( -1.545 5.210 10.202) 11.559 8.233 ( 3.703 -14.943 -3.775) 15.851 8.459 ( -1.325 10.343 -3.142) 10.891 8.881 ( 4.871 -9.559 -7.120) 12.876 10.608 ( -4.644 8.060 6.347) 11.261 10.851 ( -3.912 3.581 5.773) 7.839 15.719 ( -6.142 0.704 8.145) 10.225 16.095 ( -7.720 0.619 -5.646) 9.584 16.265 ( 5.573 0.821 8.393) 10.108 16.670 ( 7.607 -3.473 -10.003) 13.038 19.468 ( -1.788 2.413 2.295) 3.780 20.255 ( -0.050 -1.439 0.004) 1.440 ======================= Grid point 232 (111/282) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -2.360 8.992 -2.417) 9.605 1.973 ( 1.720 10.663 4.557) 11.723 2.258 ( 1.225 -3.813 0.732) 4.071 2.387 ( 5.572 -1.148 0.334) 5.699 2.511 ( 0.512 -2.914 -7.885) 8.422 2.707 ( -2.348 -5.630 -9.360) 11.173 3.003 ( 16.740 -0.180 6.279) 17.880 3.649 ( 4.171 16.096 -1.936) 16.740 3.770 ( 8.180 -7.578 -3.076) 11.567 3.786 ( -1.490 8.997 -5.802) 10.808 4.480 ( -5.485 6.903 5.107) 10.190 4.811 ( -1.014 1.453 2.184) 2.812 5.140 ( -1.018 1.117 -0.981) 1.801 5.371 ( -5.686 -3.047 6.950) 9.483 5.771 ( -11.767 10.278 -0.464) 15.630 6.522 ( 3.486 8.841 -5.011) 10.743 6.642 ( -4.422 1.173 3.481) 5.748 6.905 ( -2.543 8.039 9.483) 12.689 7.749 ( 1.315 6.919 11.006) 13.067 8.219 ( 5.900 12.908 -4.011) 14.748 8.555 ( 1.161 -17.632 -2.920) 17.910 8.997 ( 3.399 -7.067 -11.150) 13.632 10.475 ( -6.345 8.299 10.213) 14.609 10.767 ( -6.802 4.777 5.932) 10.211 15.728 ( -8.569 -2.496 11.910) 14.883 15.953 ( -7.831 1.312 -7.964) 11.246 16.383 ( 7.054 -0.138 8.361) 10.940 16.703 ( 7.210 0.280 -10.001) 12.332 19.402 ( -2.337 4.018 1.348) 4.840 20.297 ( 0.170 -2.810 0.701) 2.901 ======================= Grid point 233 (112/282) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.391 9.874 4.816) 10.993 1.862 ( 4.907 11.800 9.327) 15.821 2.290 ( -0.849 -0.109 -1.616) 1.829 2.473 ( -0.196 -0.591 -3.861) 3.911 2.521 ( 0.821 -6.380 -0.685) 6.469 2.726 ( 1.518 -4.787 -10.691) 11.812 3.146 ( 12.731 4.285 -1.072) 13.476 3.415 ( 13.470 20.229 4.429) 24.703 3.523 ( -1.478 13.883 5.962) 15.181 3.976 ( -1.215 -3.304 2.699) 4.436 4.312 ( -5.176 12.304 9.791) 16.555 4.732 ( 5.679 5.938 -7.806) 11.334 5.104 ( -3.235 0.779 0.372) 3.348 5.351 ( -6.910 1.514 -2.377) 7.463 5.556 ( -6.288 1.801 3.167) 7.267 6.377 ( 1.818 12.810 2.050) 13.100 6.573 ( 0.720 5.931 1.987) 6.297 6.911 ( -8.822 -5.461 15.970) 19.044 7.712 ( 2.797 9.105 9.525) 13.470 8.039 ( 8.603 13.671 -4.357) 16.730 8.818 ( 1.292 -14.806 -4.808) 15.620 9.035 ( 3.417 -4.739 -14.159) 15.317 10.363 ( -6.542 7.414 13.895) 17.053 10.669 ( -7.798 3.624 8.165) 11.858 15.748 ( -7.724 1.579 1.474) 8.021 15.868 ( -6.752 -7.363 2.745) 10.360 16.479 ( 6.705 3.308 2.746) 7.965 16.676 ( 7.044 2.144 -7.103) 10.230 19.325 ( -3.279 3.448 2.622) 5.433 20.347 ( 0.547 -2.277 -0.021) 2.341 ======================= Grid point 234 (113/282) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 3.305 9.053 11.881) 15.298 1.808 ( 6.925 10.827 11.317) 17.125 2.230 ( -4.201 1.992 -3.955) 6.104 2.406 ( -3.428 3.703 2.161) 5.490 2.607 ( -2.334 -4.310 -2.549) 5.524 2.752 ( 3.592 -3.856 -9.305) 10.694 3.050 ( 7.975 11.244 -10.709) 17.456 3.326 ( 7.047 13.844 11.454) 19.301 3.468 ( 13.831 6.682 17.851) 23.550 3.882 ( -3.081 14.328 12.443) 19.225 4.043 ( -7.830 23.864 14.601) 29.051 4.731 ( 7.309 -5.523 -12.803) 15.742 5.032 ( -2.758 1.237 -7.454) 8.044 5.287 ( -2.909 -3.022 -0.985) 4.309 5.577 ( 0.241 -2.876 1.459) 3.233 6.142 ( 1.764 17.349 1.778) 17.529 6.586 ( 4.489 1.193 12.108) 12.968 7.060 ( -9.636 -8.461 16.010) 20.513 7.580 ( -0.699 14.658 3.864) 15.175 7.911 ( 12.783 9.992 -2.738) 16.454 8.921 ( -3.061 -4.318 -11.356) 12.529 9.101 ( 6.936 -8.337 -10.562) 15.138 10.306 ( -4.643 5.163 16.404) 17.813 10.633 ( -6.634 -0.146 10.870) 12.736 15.624 ( -2.388 2.802 -6.572) 7.533 16.031 ( -5.802 -11.713 8.845) 15.782 16.387 ( 6.347 10.018 -9.347) 15.100 16.726 ( 5.084 -1.502 2.038) 5.680 19.260 ( -4.392 3.144 4.538) 7.055 20.380 ( 1.066 -1.379 -1.107) 2.064 ======================= Grid point 238 (114/282) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -14.972 0.000 17.640) 23.137 2.062 ( -2.347 0.000 3.959) 4.602 2.103 ( -1.183 0.000 -2.555) 2.816 2.334 ( 6.523 -0.000 -7.209) 9.722 2.605 ( 8.219 -0.000 -8.529) 11.845 2.668 ( 1.707 -0.000 -2.871) 3.340 2.800 ( -1.734 0.000 18.574) 18.655 3.399 ( -17.892 0.000 -7.676) 19.469 3.478 ( -2.988 0.000 8.824) 9.316 3.748 ( -8.946 0.000 7.146) 11.450 4.432 ( 10.687 -0.000 7.251) 12.914 4.788 ( 5.292 -0.000 12.144) 13.247 4.809 ( 11.825 -0.000 -15.468) 19.470 5.375 ( 6.493 -0.000 -6.252) 9.013 6.052 ( 13.057 -0.000 -0.123) 13.058 6.285 ( 14.018 -0.000 -2.596) 14.257 6.999 ( 5.419 -0.000 -4.732) 7.194 7.264 ( -11.575 0.000 15.421) 19.282 7.780 ( 3.899 -0.000 18.400) 18.809 8.183 ( -8.463 0.000 -15.537) 17.693 8.217 ( 11.534 -0.000 -1.071) 11.584 9.062 ( -3.717 0.000 -9.944) 10.616 10.799 ( 3.810 -0.000 9.580) 10.310 10.931 ( 1.133 -0.000 1.703) 2.045 15.711 ( 9.728 -0.000 -13.735) 16.830 15.893 ( 12.660 -0.000 -2.534) 12.911 16.457 ( -8.384 0.000 -6.186) 10.419 16.679 ( -4.924 0.000 6.377) 8.057 19.324 ( -0.948 0.000 9.773) 9.819 20.363 ( 1.557 -0.000 -5.072) 5.306 ======================= Grid point 239 (115/282) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -12.383 -14.744 14.547) 24.132 2.045 ( 0.329 -0.322 3.826) 3.853 2.143 ( -2.382 -5.061 -1.281) 5.739 2.356 ( 7.568 -1.404 -9.553) 12.268 2.622 ( 4.994 0.703 -7.757) 9.252 2.664 ( 4.472 2.886 0.478) 5.344 2.884 ( -4.018 -0.220 12.731) 13.352 3.187 ( -11.320 0.410 -10.770) 15.630 3.593 ( -5.293 -11.084 9.804) 15.716 3.785 ( -6.334 -5.310 14.716) 16.878 4.497 ( -1.403 0.182 -7.142) 7.281 4.712 ( 10.109 8.859 1.190) 13.494 5.019 ( 7.596 -7.679 -1.055) 10.853 5.384 ( 7.416 1.786 -6.721) 10.167 6.194 ( 10.252 -1.642 -0.707) 10.407 6.408 ( 9.061 -6.427 -6.414) 12.827 6.996 ( 3.597 1.628 -6.551) 7.649 7.240 ( -10.575 2.953 16.096) 19.484 7.902 ( 4.262 3.210 15.580) 16.468 7.989 ( -6.566 1.560 -13.903) 15.455 8.376 ( 9.224 -6.798 -1.347) 11.537 8.934 ( -3.961 3.516 -7.931) 9.537 10.874 ( 1.659 1.082 5.616) 5.955 10.924 ( 0.072 2.013 1.252) 2.372 15.721 ( 8.763 -0.990 -10.808) 13.949 16.023 ( 8.924 -2.477 0.017) 9.261 16.330 ( -5.644 0.409 -7.339) 9.267 16.645 ( -3.523 3.072 3.911) 6.095 19.389 ( -2.646 -2.143 8.712) 9.354 20.332 ( 2.044 1.737 -4.632) 5.352 ======================= Grid point 240 (116/282) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -7.793 -15.257 9.818) 19.746 2.108 ( -1.919 -2.641 3.830) 5.032 2.227 ( 3.779 -6.096 -0.718) 7.208 2.383 ( 3.426 -2.744 -9.928) 10.855 2.546 ( 1.196 5.211 -6.067) 8.086 2.628 ( 4.463 6.832 -1.689) 8.334 2.967 ( 0.059 -7.611 2.774) 8.101 3.056 ( 3.266 4.677 -1.103) 5.810 3.858 ( -8.775 -19.015 12.067) 24.170 3.978 ( -3.085 -10.530 10.411) 15.125 4.351 ( -4.499 2.863 -12.040) 13.168 4.674 ( 2.729 5.874 1.811) 6.726 5.168 ( 5.239 -4.248 -3.611) 7.651 5.361 ( 5.579 3.392 -5.663) 8.643 6.221 ( 2.254 4.712 -0.782) 5.281 6.585 ( 3.075 -11.838 -10.155) 15.897 6.912 ( 0.104 4.709 -7.896) 9.194 7.203 ( -4.946 4.412 15.002) 16.400 7.840 ( -7.370 -0.822 -5.009) 8.949 7.998 ( 7.952 2.725 9.646) 12.795 8.555 ( 4.057 -8.706 -6.602) 11.654 8.784 ( -0.064 6.684 -2.262) 7.057 10.833 ( -1.289 5.255 0.773) 5.465 10.919 ( -2.397 0.869 4.063) 4.797 15.742 ( 3.417 -0.533 -6.208) 7.106 16.101 ( 0.516 -0.420 1.893) 2.006 16.270 ( -0.858 -1.380 -3.947) 4.269 16.600 ( 2.977 1.615 -1.267) 3.617 19.449 ( -4.186 -2.544 6.168) 7.876 20.289 ( 2.284 2.561 -3.024) 4.574 ======================= Grid point 241 (117/282) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -3.678 -9.309 5.936) 11.637 2.129 ( -3.327 -1.061 1.977) 4.013 2.256 ( -1.637 3.473 -7.990) 8.865 2.414 ( 1.571 -3.984 -0.218) 4.288 2.474 ( 3.860 1.443 -5.135) 6.585 2.551 ( 4.934 3.076 -5.707) 8.148 3.094 ( 17.355 5.458 8.556) 20.105 3.177 ( 4.840 -14.922 -5.547) 16.639 4.025 ( -2.679 5.937 -2.492) 6.974 4.141 ( -4.048 -9.637 6.534) 12.327 4.316 ( -6.328 -11.533 0.322) 13.159 4.629 ( -3.766 -1.372 4.229) 5.827 5.181 ( 1.710 1.417 -9.090) 9.357 5.331 ( 0.953 1.156 0.654) 1.635 6.085 ( -7.507 7.951 -1.372) 11.021 6.619 ( -2.298 -3.611 -18.768) 19.250 6.784 ( -3.274 6.091 5.033) 8.552 7.198 ( 1.258 5.998 9.120) 10.988 7.835 ( -3.725 -6.154 2.829) 7.730 8.105 ( 7.736 -0.909 5.264) 9.401 8.545 ( -1.750 1.714 -12.140) 12.384 8.785 ( 6.590 -1.365 1.699) 6.941 10.722 ( -3.516 6.460 2.765) 7.858 10.879 ( -6.216 1.985 2.954) 7.163 15.712 ( -3.455 0.320 -1.394) 3.739 16.062 ( -4.948 4.746 2.322) 7.239 16.309 ( 2.312 -4.724 0.270) 5.266 16.644 ( 8.655 -1.590 -4.922) 10.083 19.465 ( -5.062 -0.845 2.773) 5.833 20.263 ( 2.296 1.361 -0.582) 2.732 ======================= Grid point 242 (118/282) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -2.317 2.592 -0.179) 3.482 2.113 ( -1.712 2.154 2.740) 3.883 2.206 ( 1.042 -4.295 -0.609) 4.462 2.411 ( 0.190 0.587 -3.262) 3.320 2.488 ( 1.950 1.313 1.136) 2.611 2.547 ( 4.070 -2.933 -10.587) 11.715 3.266 ( 20.037 3.977 6.189) 21.345 3.462 ( 7.675 -17.845 -8.926) 21.378 3.855 ( -2.389 8.204 0.294) 8.550 4.117 ( 8.308 13.155 -1.625) 15.644 4.454 ( -7.736 -7.204 4.130) 11.349 4.719 ( -7.676 -8.949 5.819) 13.148 5.107 ( -1.419 -0.509 -5.338) 5.547 5.324 ( -4.569 -0.268 2.076) 5.026 5.816 ( -11.780 10.141 -2.898) 15.812 6.512 ( -2.575 -1.152 -11.621) 11.959 6.705 ( -5.093 5.125 9.871) 12.233 7.105 ( -3.000 10.290 6.622) 12.599 7.952 ( 5.792 0.723 8.708) 10.483 8.273 ( 3.726 -12.074 -1.467) 12.721 8.410 ( 2.863 5.887 -9.255) 11.336 8.867 ( 4.176 -2.886 -4.684) 6.908 10.602 ( -5.114 6.611 6.632) 10.670 10.784 ( -9.086 2.681 3.032) 9.947 15.679 ( -6.312 -2.003 3.179) 7.346 15.917 ( -6.519 6.423 0.949) 9.200 16.443 ( 4.078 -5.202 3.595) 7.525 16.707 ( 8.271 -0.263 -6.930) 10.793 19.423 ( -4.848 1.304 0.847) 5.091 20.280 ( 1.837 -0.663 0.896) 2.149 ======================= Grid point 243 (119/282) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.467 4.980 3.283) 5.983 2.070 ( -0.180 4.262 3.877) 5.764 2.299 ( 1.268 -1.783 1.121) 2.458 2.391 ( -3.623 -1.184 -0.919) 3.920 2.487 ( 3.834 1.047 -0.586) 4.017 2.570 ( 1.784 -6.038 -11.909) 13.471 3.356 ( 12.947 6.471 -2.704) 14.724 3.648 ( -0.559 -0.980 -6.753) 6.846 3.861 ( 11.263 -5.047 8.074) 14.749 3.947 ( 13.156 16.488 -0.881) 21.112 4.442 ( -5.285 2.989 4.947) 7.832 4.783 ( -5.988 -2.541 1.837) 6.759 5.086 ( -2.958 1.011 -1.546) 3.487 5.260 ( -7.695 -0.124 -2.962) 8.246 5.570 ( -7.751 5.724 2.941) 10.075 6.474 ( -2.191 -1.612 -1.258) 2.997 6.648 ( -5.263 3.870 8.327) 10.584 6.951 ( -6.641 6.768 10.529) 14.170 7.995 ( 8.704 9.763 8.341) 15.513 8.279 ( 6.754 8.376 -8.052) 13.439 8.530 ( 1.599 -16.766 -4.664) 17.476 8.894 ( 2.799 -2.982 -10.336) 11.116 10.505 ( -5.264 6.109 10.904) 13.562 10.679 ( -9.553 1.838 4.995) 10.936 15.716 ( -6.148 -6.243 5.270) 10.225 15.762 ( -5.524 5.854 1.441) 8.177 16.576 ( 2.710 -1.924 5.627) 6.535 16.705 ( 7.287 1.898 -10.243) 12.713 19.357 ( -3.882 2.192 1.609) 4.739 20.321 ( 1.098 -1.592 0.552) 2.011 ======================= Grid point 244 (120/282) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 2.397 4.743 7.419) 9.126 2.041 ( 2.058 3.868 5.901) 7.350 2.252 ( -3.045 5.938 -0.997) 6.747 2.374 ( -2.982 -0.940 0.394) 3.152 2.506 ( 0.515 -2.281 -4.766) 5.308 2.626 ( 1.331 -6.666 -8.737) 11.070 3.269 ( 10.806 11.941 -9.408) 18.651 3.597 ( 3.180 4.426 0.800) 5.508 3.843 ( 11.598 10.502 8.954) 18.027 4.100 ( 7.634 1.841 11.608) 14.015 4.367 ( -5.287 8.038 12.414) 15.705 4.718 ( 3.629 3.377 -8.072) 9.472 4.933 ( -10.034 4.767 -6.690) 12.968 5.201 ( -1.985 -2.138 -4.959) 5.753 5.553 ( -0.845 -2.896 6.628) 7.282 6.403 ( -1.486 10.792 3.628) 11.482 6.652 ( -0.582 -3.806 8.793) 9.599 6.964 ( -8.472 -4.870 16.007) 18.754 7.882 ( 3.270 16.261 3.162) 16.885 8.178 ( 12.537 8.924 -5.083) 16.206 8.713 ( -2.461 -8.493 -8.436) 12.221 8.927 ( 4.193 -8.450 -12.178) 15.404 10.458 ( -3.298 4.735 14.225) 15.351 10.629 ( -7.358 -0.630 7.824) 10.759 15.638 ( -0.764 4.308 -2.570) 5.074 15.851 ( -6.782 -10.240 10.925) 16.438 16.543 ( 4.090 8.698 -6.792) 11.769 16.727 ( 3.023 -2.885 -1.726) 4.521 19.306 ( -2.615 2.455 3.958) 5.341 20.354 ( 0.380 -1.559 -0.782) 1.785 ======================= Grid point 249 (121/282) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -14.231 0.000 17.901) 22.869 2.055 ( -2.294 0.000 4.888) 5.399 2.094 ( 1.540 -0.000 1.084) 1.883 2.330 ( 5.249 -0.000 -11.959) 13.060 2.610 ( 0.933 -0.000 -5.871) 5.945 2.727 ( 6.243 -0.000 -2.612) 6.768 2.932 ( -8.148 0.000 14.173) 16.348 3.120 ( 4.715 -0.000 0.185) 4.719 3.510 ( -5.619 0.000 8.363) 10.075 3.756 ( -10.729 0.000 14.801) 18.280 4.407 ( -3.214 0.000 -14.667) 15.015 4.896 ( -5.035 0.000 3.703) 6.250 4.967 ( 15.585 -0.000 -7.012) 17.090 5.429 ( 8.163 -0.000 -6.821) 10.638 6.215 ( 6.160 -0.000 -6.185) 8.730 6.374 ( 3.944 -0.000 -10.085) 10.829 7.004 ( 2.523 -0.000 -6.129) 6.628 7.276 ( -9.904 0.000 16.121) 18.920 7.854 ( -8.118 0.000 -8.128) 11.488 8.071 ( 6.086 -0.000 11.611) 13.109 8.381 ( 7.461 -0.000 -5.657) 9.364 8.896 ( -0.556 0.000 -3.937) 3.977 10.922 ( 0.435 -0.000 2.016) 2.062 10.933 ( -2.180 0.000 0.221) 2.192 15.712 ( 9.884 -0.000 -13.664) 16.864 16.084 ( 0.279 -0.000 0.841) 0.886 16.238 ( 4.526 -0.000 -9.201) 10.254 16.668 ( -5.013 0.000 6.113) 7.906 19.392 ( -4.764 0.000 7.915) 9.238 20.343 ( 3.289 -0.000 -4.392) 5.487 ======================= Grid point 250 (122/282) ======================= q-point: (-0.50 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -11.014 -15.237 15.043) 24.079 2.071 ( -2.865 -0.459 3.469) 4.522 2.181 ( 3.570 -5.221 4.299) 7.648 2.295 ( 1.639 -1.187 -11.385) 11.564 2.559 ( 0.823 1.595 -7.035) 7.261 2.765 ( 9.482 2.595 -4.611) 10.858 2.913 ( -8.948 0.076 9.232) 12.857 3.241 ( 15.440 2.160 9.490) 18.252 3.598 ( -7.769 -10.908 9.285) 16.296 3.814 ( -11.188 -8.836 13.942) 19.940 4.238 ( -5.428 1.292 -18.901) 19.707 4.777 ( -5.848 5.590 0.043) 8.090 5.109 ( 7.775 -4.878 -6.164) 11.056 5.434 ( 7.382 3.092 -6.821) 10.515 6.247 ( 0.953 -1.984 -8.358) 8.644 6.320 ( -2.349 -5.321 -15.237) 16.310 6.950 ( -0.200 3.217 -3.979) 5.121 7.285 ( -8.098 0.628 14.796) 16.879 7.734 ( -7.617 0.411 -3.454) 8.374 8.189 ( 8.998 2.215 8.650) 12.677 8.402 ( -0.306 -4.369 -11.299) 12.118 8.891 ( 6.523 2.781 1.614) 7.273 10.876 ( -3.219 2.205 -2.246) 4.502 10.919 ( -3.886 0.971 2.485) 4.714 15.715 ( 6.647 -0.019 -12.167) 13.864 16.039 ( -3.525 -4.446 -8.746) 10.425 16.290 ( 7.594 2.801 2.405) 8.443 16.651 ( -1.761 1.070 4.575) 5.017 19.401 ( -6.555 -1.695 5.878) 8.966 20.335 ( 3.879 1.752 -3.278) 5.372 ======================= Grid point 251 (123/282) ======================= q-point: (-0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -5.692 -16.125 10.171) 19.896 2.057 ( -5.036 -1.192 -0.437) 5.193 2.243 ( 0.254 0.798 -7.443) 7.490 2.333 ( 1.142 -5.112 3.641) 6.379 2.492 ( 2.982 2.936 -6.153) 7.441 2.711 ( 3.963 7.284 -0.184) 8.295 2.984 ( 3.146 -9.188 -4.006) 10.505 3.439 ( 21.063 4.785 11.683) 24.557 3.828 ( -11.712 -17.720 12.285) 24.538 4.004 ( -14.376 -15.088 5.547) 21.566 4.048 ( -0.227 -0.492 -11.143) 11.156 4.630 ( -8.741 2.943 -0.114) 9.224 5.164 ( 5.214 0.119 -8.865) 10.286 5.377 ( 3.525 4.559 -5.372) 7.878 6.096 ( -8.230 6.120 -8.113) 13.077 6.335 ( -3.307 -10.244 -19.728) 22.474 6.874 ( -2.969 3.812 3.916) 6.219 7.303 ( -6.279 0.793 11.685) 13.289 7.675 ( -6.240 -4.686 -0.753) 7.840 8.291 ( 11.192 3.409 6.541) 13.404 8.363 ( -3.933 -4.887 -15.468) 16.691 8.938 ( 10.173 4.173 3.992) 11.698 10.776 ( -5.570 3.250 -0.739) 6.491 10.853 ( -7.484 2.206 1.918) 8.034 15.657 ( -0.545 0.705 -9.174) 9.217 16.095 ( 1.937 -6.134 -4.729) 7.984 16.260 ( -0.105 4.946 2.810) 5.689 16.694 ( 5.387 -0.792 2.078) 5.829 19.395 ( -7.767 -2.034 3.142) 8.621 20.322 ( 3.976 2.301 -1.405) 4.804 ======================= Grid point 252 (124/282) ======================= q-point: (-0.30 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -2.188 -6.371 4.355) 8.021 2.041 ( -4.665 -5.377 0.491) 7.135 2.186 ( 0.170 1.664 -1.915) 2.542 2.383 ( -2.592 -2.792 -3.818) 5.394 2.450 ( 2.031 2.565 -0.174) 3.277 2.659 ( 7.379 5.292 -2.041) 9.307 3.180 ( 7.165 -14.025 -10.918) 19.164 3.573 ( 12.737 5.248 0.131) 13.776 3.890 ( -4.547 -0.066 2.611) 5.244 4.155 ( -8.311 -18.299 7.606) 21.489 4.240 ( -2.758 -10.105 5.333) 11.754 4.559 ( -7.247 -2.996 4.454) 9.019 5.082 ( 3.440 5.161 -11.392) 12.972 5.301 ( -2.081 1.925 -3.100) 4.201 5.833 ( -10.498 7.792 -5.325) 14.116 6.322 ( -3.772 -7.397 -14.432) 16.650 6.804 ( -6.141 5.046 8.952) 11.972 7.239 ( -9.105 6.486 8.372) 13.967 7.811 ( -2.057 -15.801 0.752) 15.952 8.296 ( -2.536 -5.299 -18.368) 19.285 8.374 ( 12.802 5.488 4.952) 14.783 8.977 ( 9.557 5.785 2.564) 11.462 10.666 ( -7.521 2.776 2.319) 8.345 10.740 ( -9.949 2.848 2.784) 10.717 15.596 ( -2.622 -1.533 -4.769) 5.654 16.035 ( -5.339 10.003 7.326) 13.500 16.340 ( 5.271 -10.317 -5.633) 12.882 16.764 ( 6.161 0.727 -0.190) 6.207 19.365 ( -7.544 -1.561 1.305) 7.814 20.320 ( 3.383 1.589 0.189) 3.743 ======================= Grid point 253 (125/282) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -0.460 0.214 4.605) 4.633 2.079 ( -3.694 0.839 2.318) 4.441 2.232 ( -0.883 -6.819 1.006) 6.949 2.378 ( -2.351 -5.490 -8.120) 10.079 2.424 ( 1.804 3.463 1.399) 4.148 2.616 ( 6.974 6.225 -3.525) 9.990 3.398 ( 7.199 -12.415 -13.248) 19.531 3.546 ( 1.947 1.638 -6.490) 6.971 3.929 ( 3.546 -1.780 6.782) 7.857 4.285 ( -1.507 1.546 -4.425) 4.924 4.396 ( 1.700 -5.010 9.101) 10.527 4.619 ( -6.811 -4.567 6.977) 10.767 4.985 ( -3.790 -3.426 -7.833) 9.352 5.231 ( -1.019 2.369 -2.000) 3.264 5.616 ( -7.980 5.853 2.383) 10.179 6.345 ( -3.131 -7.717 -4.060) 9.265 6.720 ( -7.648 4.577 10.121) 13.486 7.070 ( -10.103 8.308 8.443) 15.569 8.066 ( -3.920 -13.635 -1.395) 14.256 8.269 ( 4.186 -8.215 -17.830) 20.072 8.415 ( 11.701 6.741 2.383) 13.713 8.954 ( 7.719 7.614 -1.128) 10.901 10.585 ( -8.708 0.736 5.735) 10.453 10.628 ( -9.133 2.492 5.706) 11.054 15.606 ( -2.000 -4.393 0.273) 4.835 15.864 ( -6.118 9.239 7.364) 13.305 16.521 ( 3.704 -8.601 -2.337) 9.652 16.767 ( 4.769 3.548 -4.377) 7.382 19.332 ( -5.478 -1.122 1.562) 5.806 20.332 ( 2.055 0.641 0.509) 2.212 ======================= Grid point 254 (126/282) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 2.820 3.545 8.656) 9.770 2.041 ( -5.244 -1.715 1.818) 5.809 2.274 ( -3.838 -1.340 -1.088) 4.209 2.375 ( 1.057 3.230 -2.601) 4.279 2.447 ( -1.597 -8.385 -4.960) 9.872 2.549 ( 6.937 6.091 -4.250) 10.163 3.471 ( 6.771 5.786 -4.480) 9.970 3.542 ( 1.934 -7.515 -11.247) 13.664 4.073 ( 6.200 3.793 0.425) 7.281 4.186 ( 2.022 -6.213 -4.887) 8.159 4.475 ( -4.221 2.383 9.427) 10.600 4.629 ( -4.412 -0.789 3.121) 5.462 4.976 ( -2.314 0.355 -5.208) 5.710 5.165 ( 0.278 4.547 1.691) 4.859 5.557 ( -1.911 -1.241 7.655) 7.987 6.458 ( -1.997 -6.237 5.193) 8.358 6.651 ( -6.012 2.369 8.508) 10.683 6.953 ( -8.692 1.345 11.697) 14.635 8.063 ( -3.265 0.959 -11.004) 11.518 8.365 ( 12.137 7.748 -1.393) 14.466 8.483 ( 0.970 -13.487 -7.149) 15.295 8.873 ( 6.327 6.404 -5.678) 10.644 10.560 ( -8.713 -2.338 7.698) 11.859 10.580 ( -4.424 1.694 10.106) 11.161 15.694 ( 3.415 -1.787 -1.062) 3.998 15.743 ( -8.825 0.820 12.522) 15.341 16.623 ( -3.008 -0.176 1.196) 3.242 16.700 ( 7.139 1.669 -10.523) 12.825 19.325 ( -2.447 -0.640 3.351) 4.198 20.339 ( 0.367 0.101 -0.335) 0.508 ======================= Grid point 260 (127/282) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -12.870 0.000 18.184) 22.278 2.065 ( -6.692 0.000 1.193) 6.797 2.187 ( 4.223 -0.000 4.122) 5.901 2.257 ( 4.051 -0.000 -3.690) 5.480 2.541 ( 4.071 -0.000 -8.163) 9.122 2.843 ( 11.335 -0.000 -6.354) 12.995 2.865 ( -16.347 0.000 10.389) 19.369 3.486 ( -8.038 0.000 6.730) 10.483 3.510 ( 16.024 -0.000 14.854) 21.850 3.721 ( -8.907 0.000 13.022) 15.776 4.039 ( -8.501 0.000 -21.346) 22.977 4.712 ( -14.366 0.000 -2.571) 14.594 5.110 ( 8.893 -0.000 -6.302) 10.900 5.495 ( 8.065 -0.000 -6.393) 10.292 6.076 ( -2.518 0.000 -17.951) 18.127 6.199 ( -4.616 0.000 -12.686) 13.500 6.936 ( -2.770 0.000 -3.370) 4.363 7.292 ( -10.544 0.000 14.357) 17.813 7.649 ( -9.181 0.000 0.147) 9.182 8.259 ( -3.796 0.000 -14.327) 14.821 8.353 ( 11.257 -0.000 6.059) 12.784 9.014 ( 10.857 -0.000 2.902) 11.239 10.815 ( -8.414 0.000 -2.473) 8.770 10.910 ( -3.609 0.000 1.068) 3.764 15.717 ( 10.007 -0.000 -13.642) 16.919 15.863 ( -3.751 0.000 -14.511) 14.988 16.446 ( 9.106 -0.000 7.097) 11.545 16.655 ( -4.917 0.000 5.964) 7.729 19.353 ( -8.021 0.000 4.523) 9.208 20.368 ( 4.395 -0.000 -2.960) 5.299 ======================= Grid point 261 (128/282) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -9.525 -16.148 14.676) 23.809 1.976 ( -9.339 -0.716 -2.849) 9.790 2.232 ( 3.333 1.819 0.478) 3.827 2.340 ( 4.146 -2.383 4.169) 6.344 2.526 ( 4.624 1.715 -5.526) 7.407 2.764 ( -13.121 -0.384 5.487) 14.228 2.908 ( 10.582 -1.290 -8.564) 13.674 3.532 ( -9.519 -10.740 5.165) 15.252 3.667 ( -15.200 -9.735 10.078) 20.674 3.756 ( 0.158 4.426 -6.241) 7.653 3.950 ( 9.920 -4.594 3.934) 11.619 4.531 ( -15.056 0.681 -1.754) 15.173 5.156 ( 5.918 -1.397 -6.124) 8.629 5.478 ( 6.627 5.733 -6.503) 10.912 5.972 ( -5.473 -4.750 -21.561) 22.746 6.050 ( -6.474 -0.926 -10.651) 12.499 6.881 ( -5.398 -0.195 0.410) 5.417 7.290 ( -11.253 -0.836 13.332) 17.466 7.566 ( -9.141 -0.727 0.935) 9.217 8.136 ( -5.298 -2.992 -16.584) 17.665 8.490 ( 12.858 1.476 4.380) 13.663 9.124 ( 11.953 2.423 2.471) 12.444 10.698 ( -12.042 0.185 -2.063) 12.219 10.856 ( -5.348 2.650 2.103) 6.328 15.628 ( 2.441 4.133 -12.784) 13.656 15.895 ( 6.145 -11.510 -14.012) 19.147 16.453 ( -0.446 10.443 8.901) 13.728 16.718 ( 2.100 -4.047 5.231) 6.939 19.307 ( -8.851 -1.187 2.792) 9.357 20.381 ( 4.198 1.303 -2.072) 4.860 ======================= Grid point 262 (129/282) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -5.292 -16.738 6.965) 18.886 1.908 ( -8.164 -4.343 -1.100) 9.313 2.212 ( 0.554 3.113 -0.076) 3.163 2.371 ( -0.963 2.955 2.668) 4.096 2.504 ( 1.030 1.434 1.136) 2.100 2.748 ( 2.315 -0.818 -1.845) 3.072 2.988 ( 7.970 -7.175 -12.560) 16.515 3.529 ( -11.514 -3.325 -14.352) 18.697 3.737 ( -12.694 -17.221 10.434) 23.802 3.876 ( -10.507 -14.842 10.236) 20.867 4.065 ( -4.067 -0.629 -1.289) 4.313 4.520 ( 4.811 -4.630 9.259) 11.415 5.166 ( 6.510 3.055 -7.014) 10.045 5.339 ( 1.770 9.176 -7.761) 12.148 5.789 ( -8.019 3.266 -9.584) 12.915 6.022 ( -5.072 -10.726 -14.373) 18.637 6.843 ( -7.550 0.496 5.081) 9.114 7.260 ( -13.496 1.746 11.500) 17.817 7.567 ( -5.469 -9.069 0.868) 10.626 8.037 ( -4.295 -5.367 -19.099) 20.298 8.607 ( 13.786 3.019 3.241) 14.480 9.185 ( 10.976 5.067 0.883) 12.121 10.564 ( -14.712 -0.649 -0.115) 14.727 10.759 ( -6.903 4.241 4.331) 9.186 15.533 ( 1.442 0.326 -8.240) 8.372 16.083 ( 7.039 -10.832 -9.724) 16.169 16.297 ( -3.492 10.075 7.216) 12.875 16.820 ( 3.175 -0.830 2.713) 4.258 19.266 ( -8.528 -2.048 2.068) 9.011 20.381 ( 3.442 1.710 -1.079) 3.992 ======================= Grid point 263 (130/282) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -7.427 -7.879 1.076) 10.881 2.029 ( -1.562 -12.647 1.909) 12.886 2.145 ( -3.512 3.193 1.646) 5.024 2.319 ( -0.680 4.201 2.650) 5.013 2.501 ( 2.320 2.008 0.480) 3.105 2.744 ( 6.643 3.914 -4.948) 9.161 3.136 ( 6.317 -13.687 -16.057) 22.024 3.438 ( -7.435 -5.843 -7.632) 12.151 3.847 ( -14.973 -6.118 -1.298) 16.226 4.084 ( -9.208 -14.815 6.545) 18.631 4.135 ( -12.837 -17.936 8.899) 23.784 4.758 ( 12.950 -3.479 7.410) 15.321 4.978 ( 5.245 15.994 -14.740) 22.374 5.245 ( 1.020 0.044 -0.542) 1.156 5.625 ( -7.943 3.219 0.113) 8.571 6.106 ( -2.787 -13.171 -7.351) 15.338 6.775 ( -9.080 3.142 7.869) 12.420 7.133 ( -13.456 5.769 9.808) 17.622 7.747 ( -5.877 -15.485 -0.172) 16.564 7.992 ( 0.193 -9.448 -20.425) 22.505 8.685 ( 13.685 6.119 1.998) 15.123 9.170 ( 9.126 8.147 -1.820) 12.368 10.456 ( -15.274 -2.755 3.494) 15.910 10.665 ( -6.971 3.209 7.072) 10.436 15.541 ( 2.384 -3.075 -1.571) 4.196 16.038 ( -5.535 11.591 8.112) 15.191 16.364 ( 6.435 -11.440 -7.436) 15.086 16.827 ( 1.114 2.650 -2.212) 3.627 19.251 ( -6.319 -3.025 2.784) 7.539 20.375 ( 2.201 1.648 -0.498) 2.794 ======================= Grid point 264 (131/282) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -6.708 -7.754 2.465) 10.545 2.089 ( -4.065 -0.234 1.992) 4.533 2.205 ( 0.761 -5.917 1.240) 6.094 2.257 ( -0.751 1.723 -1.056) 2.156 2.465 ( 0.812 4.774 -1.070) 4.960 2.697 ( 8.327 5.677 -5.424) 11.445 3.307 ( 4.416 -12.433 -15.495) 20.352 3.467 ( -2.347 -6.665 -1.727) 7.274 3.822 ( -15.414 -14.184 -8.873) 22.749 4.222 ( 1.562 0.710 2.908) 3.377 4.343 ( -13.248 -12.042 8.891) 19.989 4.712 ( 1.769 4.746 -9.587) 10.843 4.932 ( 10.504 -0.645 0.670) 10.545 5.268 ( 0.731 1.942 4.910) 5.330 5.562 ( -4.227 -1.116 7.203) 8.426 6.298 ( -0.443 -13.784 1.231) 13.846 6.691 ( -8.253 3.005 8.190) 12.009 6.982 ( -11.684 4.864 9.734) 15.966 7.834 ( -7.080 -8.153 -10.752) 15.238 8.143 ( 1.828 -17.965 -11.135) 21.215 8.674 ( 10.953 11.168 0.670) 15.656 9.073 ( 8.194 10.220 -4.658) 13.902 10.426 ( -12.680 -5.529 7.245) 15.615 10.632 ( -4.967 0.416 9.540) 10.764 15.650 ( 2.778 -5.257 5.271) 7.946 15.860 ( -5.080 9.481 7.809) 13.291 16.528 ( 0.916 -7.079 -3.762) 8.069 16.741 ( 1.886 3.767 -8.504) 9.490 19.285 ( -2.976 -3.606 3.706) 5.966 20.359 ( 0.637 1.705 -0.433) 1.871 ======================= Grid point 271 (132/282) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -12.134 0.000 17.392) 21.206 1.833 ( -13.475 0.000 -2.787) 13.760 2.336 ( 3.895 -0.000 3.494) 5.233 2.364 ( 5.123 -0.000 0.270) 5.131 2.578 ( 8.990 -0.000 -3.234) 9.554 2.604 ( -21.973 0.000 7.456) 23.204 2.948 ( 10.591 -0.000 -10.619) 14.998 3.343 ( -12.084 0.000 -3.127) 12.482 3.476 ( -20.979 0.000 8.920) 22.797 3.594 ( -13.111 0.000 -8.387) 15.564 4.118 ( 3.379 -0.000 -0.778) 3.467 4.442 ( 1.400 -0.000 9.354) 9.458 5.154 ( 4.295 -0.000 -4.822) 6.457 5.559 ( 6.701 -0.000 -5.257) 8.517 5.723 ( -3.901 0.000 -22.099) 22.440 5.912 ( -7.843 0.000 -10.018) 12.723 6.793 ( -9.962 0.000 -0.623) 9.981 7.269 ( -11.530 0.000 13.975) 18.117 7.472 ( -10.529 0.000 1.285) 10.607 7.947 ( -5.321 0.000 -16.976) 17.790 8.645 ( 12.566 -0.000 2.608) 12.834 9.268 ( 11.933 -0.000 0.020) 11.933 10.554 ( -15.435 0.000 -1.414) 15.499 10.846 ( -6.041 0.000 3.985) 7.237 15.643 ( 2.799 -0.000 -15.314) 15.568 15.724 ( 10.040 -0.000 -13.671) 16.962 16.644 ( -4.671 0.000 5.997) 7.602 16.692 ( 3.952 -0.000 9.521) 10.309 19.230 ( -8.768 0.000 2.215) 9.043 20.413 ( 3.524 -0.000 -2.359) 4.241 ======================= Grid point 272 (133/282) ======================= q-point: (-0.30 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -10.587 -15.759 11.009) 21.946 1.716 ( -14.354 -4.522 -0.617) 15.063 2.279 ( -5.576 3.716 0.982) 6.773 2.437 ( 2.987 -0.922 -0.645) 3.192 2.503 ( -6.834 -0.395 7.616) 10.240 2.683 ( 5.912 -3.401 -0.995) 6.893 2.926 ( 2.841 1.034 -13.689) 14.019 3.236 ( -12.442 -5.497 -8.927) 16.270 3.403 ( -18.620 -11.789 6.326) 22.928 3.554 ( -14.933 -10.986 4.671) 19.118 3.965 ( -14.812 1.646 -7.208) 16.555 4.662 ( 16.653 -1.437 11.396) 20.230 5.177 ( 3.233 -1.682 -3.289) 4.909 5.489 ( 3.057 8.485 -9.796) 13.315 5.631 ( -0.441 -6.655 -14.639) 16.087 5.775 ( -8.036 0.152 -7.139) 10.750 6.724 ( -12.413 -4.699 0.965) 13.307 7.244 ( -12.177 1.412 14.060) 18.653 7.410 ( -8.118 -3.732 0.959) 8.986 7.806 ( -4.086 -2.554 -17.296) 17.955 8.772 ( 12.002 0.360 1.439) 12.093 9.345 ( 10.494 2.534 -2.831) 11.161 10.399 ( -17.255 -0.741 1.022) 17.301 10.792 ( -7.163 3.346 6.747) 10.393 15.532 ( 5.575 3.221 -10.313) 12.157 15.866 ( 10.123 -12.867 -14.479) 21.856 16.515 ( -4.520 11.780 8.536) 15.233 16.827 ( 0.452 -3.148 4.362) 5.398 19.176 ( -7.785 -1.185 2.886) 8.387 20.419 ( 2.485 0.749 -2.276) 3.452 ======================= Grid point 273 (134/282) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -13.798 -12.648 1.386) 18.769 1.758 ( -9.747 -13.979 0.353) 17.045 2.200 ( -4.289 2.526 6.043) 7.829 2.435 ( -0.443 2.098 1.050) 2.388 2.539 ( 1.527 0.143 5.835) 6.033 2.774 ( 5.027 -2.926 -5.141) 7.762 2.850 ( -3.936 -8.361 -14.300) 17.026 3.205 ( -4.310 -6.384 -6.759) 10.248 3.540 ( -23.613 -9.926 -3.938) 25.916 3.608 ( -14.711 -19.803 9.282) 26.358 3.890 ( -10.108 -11.832 4.907) 16.317 4.869 ( 12.367 -0.084 1.403) 12.446 5.219 ( 6.110 1.810 -3.805) 7.422 5.271 ( 3.267 10.792 -6.365) 12.948 5.585 ( -6.226 2.579 -2.398) 7.153 5.781 ( -3.245 -15.332 -7.894) 17.548 6.700 ( -12.899 -4.611 2.460) 13.918 7.166 ( -12.161 4.735 12.423) 18.018 7.482 ( -5.507 -10.713 2.168) 12.239 7.731 ( -0.641 -5.979 -17.185) 18.206 8.877 ( 11.648 1.628 0.222) 11.764 9.340 ( 8.044 5.368 -5.864) 11.310 10.283 ( -16.866 -2.777 5.359) 17.914 10.702 ( -8.395 4.302 8.905) 12.972 15.534 ( 7.005 -1.392 -2.348) 7.518 16.092 ( 8.685 -11.432 -11.312) 18.278 16.321 ( -4.545 10.773 7.760) 14.033 16.837 ( -2.597 1.294 -2.900) 4.103 19.170 ( -5.609 -2.704 4.937) 7.946 20.408 ( 1.450 1.017 -1.889) 2.589 ======================= Grid point 274 (135/282) ======================= q-point: (-0.10 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -12.138 -13.481 0.214) 18.141 1.864 ( -14.272 -11.735 -1.488) 18.537 2.200 ( 4.264 1.167 2.994) 5.339 2.400 ( 0.703 2.909 1.904) 3.546 2.547 ( 1.711 5.348 2.162) 6.017 2.790 ( 7.072 0.704 -7.179) 10.102 2.998 ( 1.617 -17.862 -10.706) 20.888 3.239 ( -6.615 -7.917 -6.930) 12.428 3.418 ( -17.356 -8.929 -2.871) 19.728 3.954 ( -15.603 -26.081 12.172) 32.738 4.099 ( -7.272 -14.858 8.698) 18.690 4.829 ( 10.160 13.282 -15.764) 22.981 5.077 ( 7.801 6.247 -4.461) 10.945 5.307 ( 0.393 -1.905 5.716) 6.038 5.531 ( -5.074 -2.722 6.392) 8.603 6.012 ( -0.574 -18.589 -4.204) 19.067 6.657 ( -11.119 -2.219 3.107) 11.756 7.036 ( -11.425 6.896 11.680) 17.734 7.592 ( -6.696 -7.491 -1.491) 10.158 7.812 ( 3.237 -14.591 -12.184) 19.282 8.919 ( 9.881 6.325 -0.968) 11.772 9.249 ( 6.375 7.437 -8.346) 12.869 10.257 ( -14.113 -5.879 9.835) 18.178 10.640 ( -7.866 0.748 10.056) 12.789 15.662 ( 7.385 -3.508 5.415) 9.806 16.041 ( -4.920 11.458 7.281) 14.440 16.375 ( 4.602 -9.662 -7.280) 12.943 16.724 ( -3.213 2.120 -9.556) 10.302 19.221 ( -2.884 -3.854 5.637) 7.413 20.387 ( 0.543 1.433 -1.226) 1.962 ======================= Grid point 282 (136/282) ======================= q-point: (-0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -15.630 0.000 11.726) 19.539 1.511 ( -19.218 0.000 1.244) 19.258 2.136 ( -18.233 0.000 -1.647) 18.307 2.429 ( 0.524 -0.000 -0.156) 0.547 2.557 ( -2.573 0.000 12.379) 12.644 2.756 ( 5.159 -0.000 2.676) 5.812 2.820 ( -9.674 0.000 -11.484) 15.015 2.971 ( -17.338 0.000 -3.551) 17.698 3.211 ( -3.709 0.000 -3.135) 4.857 3.344 ( -14.065 0.000 4.895) 14.892 3.778 ( -15.243 0.000 -8.362) 17.386 4.864 ( 13.835 -0.000 5.715) 14.969 5.163 ( 1.396 -0.000 -1.369) 1.956 5.399 ( -0.306 0.000 -18.134) 18.136 5.529 ( -5.777 0.000 -3.536) 6.774 5.757 ( 3.874 -0.000 -3.538) 5.246 6.535 ( -16.144 0.000 -0.115) 16.144 7.253 ( -10.442 0.000 15.126) 18.380 7.299 ( -8.131 0.000 -0.098) 8.131 7.643 ( -3.268 0.000 -14.460) 14.825 8.880 ( 9.844 -0.000 0.220) 9.847 9.425 ( 8.521 -0.000 -6.657) 10.813 10.240 ( -17.550 0.000 3.811) 17.959 10.817 ( -6.435 0.000 10.473) 12.292 15.580 ( 9.203 -0.000 -10.308) 13.819 15.729 ( 9.962 -0.000 -13.722) 16.957 16.640 ( -4.386 0.000 6.198) 7.593 16.809 ( -2.434 0.000 3.552) 4.306 19.125 ( -5.968 0.000 4.649) 7.565 20.424 ( 1.323 -0.000 -2.963) 3.245 ======================= Grid point 283 (137/282) ======================= q-point: (-0.20 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -18.565 -12.440 4.545) 22.804 1.408 ( -19.623 -10.367 0.961) 22.215 2.099 ( -10.480 -11.510 4.324) 16.156 2.303 ( -24.675 1.153 2.929) 24.875 2.630 ( 0.010 -1.704 9.907) 10.053 2.668 ( -0.264 -1.737 -3.771) 4.160 2.805 ( 5.520 3.842 -2.497) 7.174 2.971 ( -16.303 -16.425 3.294) 23.376 3.143 ( -3.539 -1.167 -6.485) 7.479 3.370 ( -8.971 -6.942 -1.014) 11.388 3.635 ( -10.758 -7.499 -0.766) 13.136 4.980 ( 8.094 0.723 -0.819) 8.167 5.198 ( 0.625 -3.214 0.959) 3.412 5.342 ( 2.809 -2.244 -11.295) 11.853 5.496 ( -6.752 -7.443 -1.194) 10.120 5.665 ( 3.272 11.650 -5.888) 13.457 6.453 ( -15.418 -7.720 -0.350) 17.246 7.217 ( -8.523 2.789 10.282) 13.644 7.307 ( -5.837 -6.724 4.933) 10.179 7.553 ( -1.735 -2.705 -11.152) 11.606 8.972 ( 8.659 -0.868 -1.032) 8.763 9.416 ( 5.312 2.525 -9.166) 10.891 10.133 ( -15.437 -1.728 7.571) 17.280 10.786 ( -7.001 6.047 12.724) 15.732 15.599 ( 11.096 0.680 -2.138) 11.321 15.871 ( 11.117 -13.380 -14.954) 22.940 16.533 ( -5.184 11.274 8.211) 14.879 16.776 ( -6.605 0.115 -5.836) 8.815 19.132 ( -3.660 -1.457 7.672) 8.624 20.410 ( 0.576 0.169 -2.855) 2.917 ======================= Grid point 284 (138/282) ======================= q-point: (-0.10 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -17.431 -14.564 3.619) 23.001 1.471 ( -18.592 -15.639 -0.523) 24.300 2.181 ( -17.246 -12.414 2.564) 21.403 2.266 ( -2.111 -8.748 3.984) 9.842 2.640 ( 1.017 1.743 -2.723) 3.390 2.764 ( 5.856 1.633 -5.711) 8.341 2.831 ( 5.621 -6.541 8.010) 11.770 3.075 ( -3.663 -0.804 -8.921) 9.677 3.129 ( -12.731 -11.508 3.241) 17.465 3.433 ( -15.728 -22.340 8.245) 28.538 3.826 ( -3.829 -16.127 5.422) 17.439 4.997 ( 5.944 2.842 -3.095) 7.279 5.236 ( 7.786 10.556 -16.536) 21.107 5.299 ( -2.339 -0.704 5.975) 6.455 5.481 ( -4.634 -1.140 6.085) 7.733 5.664 ( -0.743 -16.867 -6.018) 17.924 6.450 ( -12.579 -8.325 -1.264) 15.137 7.138 ( -8.467 6.347 12.001) 16.001 7.439 ( -3.990 -7.353 5.620) 10.078 7.567 ( 2.376 -9.267 -10.547) 14.240 9.050 ( 8.428 0.494 -2.790) 8.892 9.325 ( 2.615 4.733 -10.083) 11.441 10.115 ( -12.373 -4.465 11.234) 17.299 10.680 ( -9.821 5.944 13.137) 17.446 15.751 ( 12.656 -2.012 6.452) 14.348 16.103 ( 8.664 -10.289 -11.579) 17.748 16.330 ( -5.489 10.418 6.772) 13.584 16.614 ( -8.799 0.565 -13.002) 15.710 19.194 ( -1.976 -2.153 8.370) 8.865 20.395 ( 0.360 0.294 -1.983) 2.036 ======================= Grid point 293 (139/282) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -24.000 0.000 5.500) 24.622 1.116 ( -25.893 0.000 2.947) 26.060 1.908 ( -9.922 0.000 7.784) 12.611 2.050 ( -41.427 0.000 15.184) 44.121 2.539 ( -26.029 0.000 22.939) 34.695 2.686 ( 11.268 -0.000 -6.599) 13.058 2.775 ( 1.682 -0.000 -0.520) 1.761 2.918 ( 5.402 -0.000 -1.262) 5.548 3.146 ( 4.484 -0.000 -15.699) 16.326 3.151 ( -13.731 0.000 6.306) 15.109 3.465 ( -5.191 0.000 -3.353) 6.180 5.024 ( 2.571 -0.000 -2.630) 3.678 5.167 ( -2.020 0.000 1.374) 2.443 5.260 ( 5.264 -0.000 -8.041) 9.611 5.389 ( -7.611 0.000 3.530) 8.390 5.794 ( 6.093 -0.000 -8.390) 10.369 6.225 ( -14.727 0.000 0.408) 14.732 7.165 ( -5.001 0.000 -1.188) 5.140 7.282 ( -7.216 0.000 13.632) 15.424 7.458 ( -3.141 0.000 -3.789) 4.922 9.020 ( 6.013 -0.000 -1.877) 6.299 9.409 ( 2.351 -0.000 -9.247) 9.541 10.043 ( -11.882 0.000 8.951) 14.876 10.904 ( -2.137 0.000 13.725) 13.890 15.731 ( 9.803 -0.000 -13.773) 16.905 15.735 ( 14.519 -0.000 1.078) 14.559 16.632 ( -11.451 0.000 -12.189) 16.724 16.644 ( -4.179 0.000 6.477) 7.708 19.159 ( -1.191 0.000 10.243) 10.312 20.394 ( 0.298 -0.000 -2.853) 2.869 ======================= Grid point 294 (140/282) ======================= q-point: (-0.10 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -19.108 -13.805 9.145) 25.285 1.019 ( -21.028 -16.186 6.168) 27.243 1.808 ( -28.315 -5.978 17.697) 33.922 2.063 ( -10.122 -15.116 13.431) 22.613 2.646 ( -21.732 -19.642 19.964) 35.450 2.716 ( 7.198 3.669 -4.638) 9.316 2.798 ( 3.855 -0.813 -0.213) 3.946 2.944 ( 5.084 -1.304 -0.576) 5.280 3.028 ( -1.348 0.807 -2.440) 2.902 3.142 ( -9.290 -4.206 -3.158) 10.675 3.584 ( 2.948 -14.525 -1.235) 14.872 5.015 ( -0.505 -0.349 -1.383) 1.514 5.189 ( -1.389 -4.213 -2.589) 5.136 5.339 ( -2.493 -1.389 1.647) 3.295 5.389 ( 0.761 -10.139 -2.367) 10.440 5.636 ( 4.205 14.995 -2.516) 15.776 6.196 ( -8.850 -7.636 -0.050) 11.689 7.192 ( -3.949 -3.392 4.299) 6.752 7.321 ( -1.152 -5.398 4.233) 6.956 7.432 ( -4.805 -1.727 2.262) 5.585 9.072 ( 5.256 -2.117 -3.806) 6.826 9.341 ( 0.671 2.974 -7.799) 8.374 10.031 ( -8.697 -2.389 10.627) 13.939 10.846 ( -6.578 12.221 12.595) 18.742 15.877 ( 12.203 -14.918 -14.999) 24.422 15.925 ( 17.287 -0.492 7.870) 19.000 16.383 ( -16.217 1.372 -17.622) 23.988 16.546 ( -5.251 10.360 8.021) 14.115 19.225 ( -0.835 -0.148 9.542) 9.580 20.384 ( 0.606 -0.248 -2.105) 2.205 ======================= Grid point 304 (141/282) ======================= q-point: (-0.10 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -11.886 0.000 20.987) 24.119 0.792 ( -12.294 0.000 20.611) 23.999 1.718 ( -28.136 0.000 37.824) 47.141 1.895 ( -6.541 0.000 12.462) 14.074 2.392 ( -22.656 0.000 25.403) 34.038 2.786 ( 6.428 -0.000 -4.570) 7.887 2.848 ( 1.109 -0.000 6.419) 6.514 2.939 ( 5.763 -0.000 -8.563) 10.321 3.019 ( -9.357 0.000 7.440) 11.954 3.046 ( 2.729 -0.000 -1.088) 2.938 3.434 ( 4.081 -0.000 -10.445) 11.215 4.990 ( -1.744 0.000 -0.846) 1.938 5.121 ( -4.246 0.000 0.803) 4.321 5.269 ( -7.195 0.000 1.387) 7.328 5.329 ( 5.948 -0.000 -0.969) 6.026 5.858 ( 9.210 -0.000 -2.153) 9.459 6.085 ( -3.123 0.000 7.700) 8.309 7.077 ( -2.121 0.000 -1.801) 2.782 7.316 ( -4.090 0.000 5.664) 6.986 7.422 ( -3.646 0.000 9.674) 10.338 9.059 ( 2.433 -0.000 -4.269) 4.914 9.328 ( 1.116 -0.000 -6.371) 6.468 10.018 ( -5.498 0.000 11.364) 12.624 10.990 ( -5.348 0.000 3.086) 6.174 15.730 ( 9.634 -0.000 -13.818) 16.845 16.074 ( -10.241 0.000 -16.191) 19.158 16.201 ( 14.797 -0.000 8.887) 17.260 16.655 ( -4.122 0.000 6.724) 7.887 19.271 ( -2.832 0.000 6.343) 6.946 20.376 ( 1.124 -0.000 -1.884) 2.194 ======================= Grid point 305 (142/282) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.959 -0.000 18.819) 18.843 1.565 ( 6.058 -0.000 15.485) 16.628 2.190 ( -0.811 0.000 4.251) 4.328 2.408 ( -6.025 0.000 1.442) 6.195 2.506 ( 7.033 -0.000 -15.681) 17.186 2.617 ( -8.685 0.000 12.667) 15.358 2.831 ( 1.785 -0.000 -6.297) 6.545 3.265 ( -1.349 0.000 10.861) 10.944 3.332 ( -2.759 0.000 29.177) 29.307 3.404 ( -2.737 0.000 21.866) 22.036 3.584 ( 16.435 -0.000 13.613) 21.341 4.800 ( -5.865 0.000 -9.160) 10.876 4.980 ( -8.607 0.000 -2.179) 8.879 5.338 ( 6.422 -0.000 -0.999) 6.499 5.359 ( 10.875 -0.000 -4.249) 11.676 5.762 ( -4.037 0.000 -6.980) 8.064 6.671 ( 7.311 -0.000 10.099) 12.467 7.110 ( 1.906 -0.000 12.262) 12.409 7.552 ( -5.701 0.000 13.668) 14.809 7.671 ( 1.808 -0.000 5.588) 5.873 8.803 ( -1.771 0.000 -11.893) 12.024 9.117 ( 5.905 -0.000 -10.910) 12.406 10.435 ( -1.924 0.000 15.990) 16.106 10.954 ( -7.256 0.000 4.896) 8.754 15.467 ( 0.615 -0.000 -11.010) 11.027 15.467 ( 7.791 -0.000 -11.418) 13.822 16.746 ( 8.480 -0.000 3.796) 9.291 16.779 ( -2.426 0.000 4.272) 4.913 19.289 ( -8.559 0.000 5.128) 9.977 20.347 ( 2.887 -0.000 -2.514) 3.828 ======================= Grid point 306 (143/282) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -0.774 -8.504 14.529) 16.853 1.737 ( 6.686 -2.300 10.531) 12.684 2.194 ( -2.241 0.959 -2.519) 3.506 2.365 ( -1.413 -1.034 -1.720) 2.454 2.471 ( 6.619 -1.485 -14.687) 16.178 2.700 ( -2.952 -2.714 6.708) 7.815 2.806 ( -6.217 -3.739 4.315) 8.441 3.317 ( 4.907 1.310 16.209) 16.986 3.545 ( -2.761 -11.703 12.420) 17.287 3.719 ( 0.372 -13.866 24.591) 28.233 3.861 ( 18.997 1.312 18.242) 26.370 4.656 ( -8.427 0.034 -12.780) 15.308 4.886 ( -4.521 0.626 -3.040) 5.484 5.344 ( 1.976 4.039 -10.274) 11.215 5.502 ( 10.545 -5.887 -3.331) 12.528 5.705 ( 1.963 -3.834 0.338) 4.320 6.838 ( 5.197 -7.038 4.588) 9.879 7.262 ( 3.220 -1.405 16.613) 16.980 7.564 ( -8.768 2.105 15.331) 17.786 7.757 ( 6.613 -2.079 3.469) 7.752 8.691 ( -3.262 0.169 -14.180) 14.551 9.079 ( 6.673 2.717 -11.927) 13.934 10.538 ( -1.445 -1.167 15.895) 16.003 10.906 ( -5.205 2.473 5.707) 8.111 15.403 ( 3.789 -0.120 -8.130) 8.970 15.588 ( 8.772 -11.358 -12.688) 19.156 16.705 ( -3.955 8.454 5.596) 10.882 16.816 ( 2.470 0.200 1.704) 3.008 19.277 ( -5.206 -1.995 6.005) 8.194 20.354 ( 2.154 0.018 -2.927) 3.634 ======================= Grid point 307 (144/282) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.852 -7.672 8.771) 11.684 1.892 ( 3.346 -5.170 4.353) 7.542 2.134 ( -0.480 0.665 -1.885) 2.056 2.344 ( 0.051 0.086 -5.394) 5.395 2.496 ( 3.336 -3.651 -8.234) 9.605 2.658 ( -0.742 2.673 -5.616) 6.263 2.873 ( -5.416 -0.942 13.020) 14.133 3.538 ( 8.895 -3.609 11.762) 15.182 3.845 ( 0.407 -19.210 2.956) 19.441 4.053 ( 3.405 -6.970 13.363) 15.451 4.167 ( 7.119 -6.811 21.497) 23.648 4.510 ( -8.043 -4.244 -9.477) 13.134 4.815 ( -0.497 4.329 -3.570) 5.633 5.160 ( 0.195 5.377 -11.519) 12.713 5.654 ( 8.801 -2.821 -0.030) 9.242 5.944 ( 8.882 -14.276 0.729) 16.829 7.024 ( 1.459 -5.671 4.959) 7.673 7.421 ( 1.942 -3.952 12.199) 12.969 7.526 ( -9.809 4.808 16.193) 19.533 7.911 ( 9.977 -4.727 1.105) 11.095 8.548 ( -3.889 0.597 -14.606) 15.127 8.985 ( 5.578 5.989 -12.486) 14.929 10.656 ( -0.711 -1.706 14.696) 14.812 10.858 ( -3.656 2.812 5.507) 7.184 15.432 ( 5.161 -3.208 -4.267) 7.425 15.807 ( 8.606 -14.837 -12.386) 21.157 16.530 ( -5.643 11.814 7.744) 15.211 16.811 ( -2.118 1.018 -0.361) 2.378 19.328 ( -1.311 -2.531 6.288) 6.904 20.344 ( 0.644 0.350 -3.165) 3.249 ======================= Grid point 308 (145/282) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 1.129 -2.526 1.463) 3.130 2.060 ( -1.834 -9.820 2.187) 10.226 2.150 ( 2.450 -0.600 0.976) 2.704 2.295 ( -0.148 1.865 -5.140) 5.470 2.492 ( -1.516 1.330 -1.517) 2.524 2.558 ( -1.519 3.152 -4.843) 5.975 2.968 ( 4.321 -6.207 3.140) 8.189 3.578 ( 0.656 6.793 -7.175) 9.902 4.077 ( 7.052 -0.354 0.831) 7.109 4.246 ( -8.941 -6.793 -5.531) 12.518 4.431 ( -8.979 -23.021 7.995) 25.971 4.636 ( 3.609 -4.465 9.720) 11.289 4.681 ( 10.360 7.235 2.357) 12.854 5.113 ( 2.633 -2.440 -0.781) 3.674 5.766 ( 7.167 -0.348 3.005) 7.780 6.267 ( 7.418 -13.675 0.511) 15.566 7.064 ( -2.943 4.627 6.158) 8.245 7.425 ( -10.082 8.022 12.414) 17.892 7.623 ( 1.186 -10.565 5.240) 11.852 8.072 ( 7.212 -4.499 -4.698) 9.711 8.462 ( 1.379 -3.444 -7.244) 8.139 8.815 ( 3.277 9.597 -12.166) 15.839 10.771 ( -0.322 -1.278 12.586) 12.655 10.812 ( -3.633 3.118 5.085) 6.984 15.540 ( 6.138 -4.929 -0.413) 7.883 16.048 ( 6.153 -13.541 -8.678) 17.219 16.340 ( -5.553 10.279 7.764) 14.028 16.744 ( -4.866 1.879 -2.226) 5.671 19.402 ( 0.915 -1.157 5.451) 5.647 20.317 ( -0.820 0.154 -2.553) 2.686 ======================= Grid point 309 (146/282) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 2.148 -3.597 -1.492) 4.448 2.164 ( -2.507 -2.989 4.766) 6.159 2.197 ( -2.105 4.268 -3.533) 5.927 2.212 ( 1.030 -4.733 -0.112) 4.845 2.408 ( -2.484 4.669 -4.998) 7.277 2.512 ( 2.422 -0.695 -0.517) 2.572 3.193 ( 8.710 -12.492 -3.750) 15.684 3.331 ( -3.962 8.240 -16.105) 18.519 3.968 ( -5.158 11.662 -16.520) 20.869 4.104 ( -3.579 3.266 -3.743) 6.123 4.636 ( -0.408 -0.714 6.777) 6.827 4.774 ( -0.699 -9.853 4.373) 10.803 4.914 ( 10.472 -3.226 10.608) 15.251 5.246 ( 0.052 -7.844 10.282) 12.932 5.844 ( 5.224 1.847 6.395) 8.461 6.510 ( 3.697 -8.078 0.635) 8.906 6.919 ( -5.782 10.607 1.592) 12.184 7.243 ( -10.539 8.666 6.469) 15.101 7.768 ( -0.891 -1.989 2.218) 3.109 8.194 ( 2.653 -11.647 -4.605) 12.803 8.518 ( 3.266 8.685 -4.949) 10.516 8.650 ( 7.017 -4.039 -8.080) 11.439 10.747 ( -5.225 3.931 5.809) 8.746 10.856 ( -0.657 0.362 10.511) 10.538 15.694 ( 6.368 -5.343 2.713) 8.744 16.136 ( -4.420 7.238 11.120) 13.985 16.300 ( 1.950 -9.667 -8.517) 13.030 16.636 ( -4.613 2.783 -3.982) 6.700 19.440 ( 1.087 1.605 3.412) 3.924 20.301 ( -1.323 -1.159 -0.998) 2.022 ======================= Grid point 310 (147/282) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -4.081 4.981 -2.151) 6.789 2.099 ( -4.206 2.058 1.161) 4.824 2.245 ( -1.275 5.807 -5.743) 8.267 2.265 ( 1.824 -5.204 0.854) 5.581 2.303 ( 0.579 -4.762 1.402) 4.998 2.594 ( 6.214 -4.221 -1.082) 7.589 3.064 ( -3.316 4.433 -15.569) 16.524 3.464 ( 7.044 -3.612 -6.884) 10.491 3.558 ( -0.901 9.082 -17.190) 19.463 3.994 ( -4.648 1.683 -3.368) 5.982 4.623 ( -2.362 6.549 5.663) 8.974 4.837 ( -3.008 4.011 6.251) 8.013 5.064 ( 5.746 0.812 5.499) 7.995 5.452 ( -2.095 -5.900 13.511) 14.891 5.886 ( 3.591 4.719 8.824) 10.631 6.522 ( -1.858 12.299 -5.499) 13.600 6.706 ( -5.511 1.317 -2.470) 6.181 7.100 ( -9.359 1.743 8.755) 12.934 7.759 ( -2.402 3.170 7.242) 8.262 8.183 ( -0.342 13.609 -9.410) 16.550 8.499 ( 4.068 -13.131 -1.805) 13.864 8.817 ( 9.047 -7.818 -7.859) 14.309 10.661 ( -6.789 5.182 8.007) 11.707 10.886 ( -2.646 2.089 9.258) 9.853 15.864 ( 6.230 -4.869 4.413) 9.055 16.055 ( -4.160 5.811 12.342) 14.262 16.377 ( -6.404 -6.074 -6.950) 11.234 16.530 ( 2.700 3.834 -6.621) 8.113 19.418 ( 0.034 3.406 2.035) 3.968 20.317 ( -0.791 -2.165 0.116) 2.308 ======================= Grid point 311 (148/282) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -6.301 9.861 2.539) 11.975 1.917 ( -13.354 9.429 2.897) 16.602 2.248 ( 7.367 -3.748 -1.031) 8.329 2.335 ( 0.078 -3.624 -3.817) 5.264 2.398 ( 3.907 -3.392 -3.545) 6.272 2.733 ( 6.830 -3.649 1.007) 7.809 2.932 ( -0.319 -0.775 -9.015) 9.054 3.071 ( -0.430 18.899 -15.314) 24.329 3.617 ( -0.858 6.917 6.348) 9.428 4.042 ( 1.741 -18.470 -13.013) 22.661 4.462 ( -5.720 12.764 6.939) 15.614 4.667 ( -4.131 17.919 7.924) 20.024 5.101 ( 2.397 2.247 3.987) 5.166 5.538 ( -4.927 1.347 10.705) 11.861 5.864 ( -1.074 7.569 8.318) 11.297 6.164 ( 0.463 18.004 -7.864) 19.652 6.627 ( -5.934 3.503 -2.035) 7.185 7.132 ( -7.118 -5.843 11.685) 14.878 7.731 ( -4.389 3.782 10.571) 12.054 7.881 ( 1.360 15.409 -6.210) 16.669 8.744 ( 4.267 -12.886 -4.725) 14.373 8.938 ( 6.991 -5.259 -10.757) 13.865 10.557 ( -7.719 6.521 10.286) 14.419 10.872 ( -5.398 2.036 9.514) 11.126 16.007 ( 10.378 2.707 2.317) 10.973 16.050 ( -8.236 -4.414 10.486) 14.045 16.296 ( -9.271 -0.213 -3.686) 9.979 16.456 ( 6.333 5.627 -8.237) 11.816 19.378 ( -0.997 2.358 2.780) 3.779 20.346 ( -0.055 -1.475 -0.201) 1.490 ======================= Grid point 312 (149/282) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -5.142 13.289 9.309) 17.020 1.681 ( -11.292 9.357 10.530) 18.054 2.332 ( 1.825 3.781 -1.003) 4.317 2.379 ( 3.996 -3.274 -3.894) 6.469 2.459 ( 3.162 -5.809 -2.397) 7.035 2.695 ( 5.929 13.385 -7.599) 16.494 2.867 ( 2.124 -3.889 -1.483) 4.673 2.945 ( 2.391 -1.680 -3.078) 4.244 3.445 ( -7.272 13.483 10.414) 18.524 4.167 ( -14.672 13.724 10.420) 22.632 4.229 ( -7.004 18.225 14.398) 24.259 4.452 ( 12.436 -10.630 -19.633) 25.556 5.113 ( 1.682 2.304 4.261) 5.127 5.481 ( -6.668 4.128 5.829) 9.771 5.684 ( -9.515 8.418 1.252) 12.766 5.948 ( 10.308 15.919 3.755) 19.333 6.459 ( -5.078 7.210 0.024) 8.819 7.270 ( -5.467 -7.006 12.660) 15.468 7.632 ( 3.408 13.984 -4.126) 14.973 7.687 ( -7.057 3.552 10.541) 13.173 8.918 ( 5.772 -6.487 -7.915) 11.749 8.994 ( 3.238 -5.647 -10.386) 12.257 10.445 ( -7.276 7.041 11.780) 15.534 10.865 ( -7.653 -0.941 10.404) 12.949 15.972 ( -3.241 3.172 -7.178) 8.491 16.070 ( -0.206 5.375 -5.844) 7.942 16.254 ( 2.562 0.333 7.246) 7.693 16.407 ( 2.758 -0.959 1.439) 3.255 19.368 ( -2.117 0.119 4.347) 4.837 20.356 ( 0.624 -0.068 -1.231) 1.382 ======================= Grid point 313 (150/282) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.042 11.189 15.985) 19.511 1.512 ( -6.329 12.755 16.002) 21.419 2.255 ( 0.956 7.641 7.967) 11.081 2.378 ( -5.542 -1.743 0.201) 5.813 2.569 ( 4.554 0.569 -7.481) 8.776 2.613 ( 9.837 -3.362 -5.615) 11.816 2.950 ( -3.967 -0.834 2.976) 5.029 2.981 ( 6.524 -1.114 5.256) 8.451 3.223 ( -5.442 12.035 9.301) 16.155 3.751 ( -12.452 27.367 22.340) 37.458 3.905 ( -7.932 19.461 6.977) 22.143 4.722 ( 6.418 -17.761 -14.042) 23.534 5.065 ( -2.944 3.896 -1.125) 5.011 5.431 ( -5.136 1.675 5.374) 7.620 5.535 ( 1.528 4.000 -2.069) 4.755 5.768 ( 3.314 14.305 2.634) 14.918 6.391 ( 2.938 3.415 11.367) 12.228 7.393 ( -0.818 12.213 1.055) 12.286 7.407 ( -2.890 -1.767 8.587) 9.231 7.640 ( -5.830 2.001 8.777) 10.725 8.942 ( 3.459 -0.491 -10.508) 11.073 9.071 ( 3.024 -6.229 -8.748) 11.157 10.367 ( -5.255 5.109 13.589) 15.439 10.903 ( -8.333 -4.653 9.117) 13.199 15.782 ( -12.065 2.658 -12.513) 17.584 15.830 ( 8.555 15.689 -12.910) 22.045 16.404 ( 12.089 -1.121 9.580) 15.466 16.535 ( -2.059 -8.576 6.610) 11.022 19.376 ( -4.453 -0.538 4.728) 6.518 20.348 ( 1.449 0.697 -2.078) 2.627 ======================= Grid point 314 (151/282) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 0.108 11.703 18.210) 21.647 1.437 ( 2.668 4.681 18.683) 19.445 2.210 ( -0.615 5.065 6.478) 8.246 2.391 ( -5.733 -3.130 8.202) 10.485 2.540 ( 4.900 -0.272 -12.538) 13.464 2.689 ( 0.091 1.711 0.357) 1.750 2.865 ( -3.919 5.923 2.740) 7.612 3.072 ( -1.326 -3.943 14.234) 14.829 3.257 ( 9.768 -0.632 13.689) 16.829 3.434 ( -6.307 16.980 19.245) 26.428 3.574 ( -6.629 16.657 12.001) 21.574 4.878 ( -2.580 -4.268 -6.762) 8.402 5.006 ( -4.283 -4.595 -1.604) 6.483 5.353 ( 0.108 5.344 1.998) 5.706 5.400 ( 5.990 10.776 -7.090) 14.223 5.755 ( 1.438 -5.519 -2.846) 6.374 6.519 ( 7.728 1.386 17.930) 19.574 7.152 ( -1.523 10.935 1.152) 11.100 7.496 ( -4.066 -1.506 12.528) 13.257 7.636 ( -2.416 0.534 7.396) 7.799 8.888 ( 0.281 0.234 -10.548) 10.555 9.116 ( 4.283 -2.805 -9.885) 11.132 10.367 ( -2.981 2.066 15.227) 15.653 10.957 ( -8.102 -4.332 5.823) 10.877 15.539 ( -1.355 5.503 -11.775) 13.067 15.615 ( 2.951 7.590 -12.537) 14.949 16.602 ( 14.059 -0.172 6.365) 15.434 16.698 ( -3.395 -8.232 5.680) 10.562 19.348 ( -7.868 0.565 4.389) 9.027 20.341 ( 2.450 0.473 -2.355) 3.432 ======================= Grid point 316 (152/282) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -4.686 0.000 14.038) 14.800 1.853 ( 7.833 -0.000 6.949) 10.471 2.179 ( -0.764 0.000 -3.649) 3.728 2.316 ( -1.152 0.000 -3.042) 3.253 2.416 ( 5.773 -0.000 -13.987) 15.132 2.724 ( -3.006 0.000 -5.777) 6.512 2.729 ( -4.155 0.000 21.518) 21.915 3.407 ( 2.885 -0.000 6.584) 7.188 3.661 ( -3.666 0.000 27.157) 27.404 3.736 ( 10.591 -0.000 15.886) 19.093 4.189 ( 18.278 -0.000 18.359) 25.907 4.442 ( -14.139 0.000 -16.243) 21.534 4.804 ( -4.914 0.000 -4.856) 6.909 5.325 ( 0.280 -0.000 -12.523) 12.526 5.540 ( 12.703 -0.000 -2.328) 12.914 5.731 ( 8.854 -0.000 1.881) 9.052 6.812 ( 5.207 -0.000 -2.853) 5.937 7.457 ( 5.527 -0.000 22.689) 23.352 7.593 ( -10.075 0.000 15.329) 18.344 7.826 ( 7.772 -0.000 2.225) 8.084 8.553 ( -4.764 0.000 -15.475) 16.192 9.081 ( 6.290 -0.000 -12.770) 14.236 10.627 ( -0.383 0.000 15.507) 15.512 10.919 ( -3.024 0.000 3.920) 4.951 15.441 ( 9.761 -0.000 -8.325) 12.829 15.462 ( 7.794 -0.000 -11.342) 13.762 16.787 ( -2.683 0.000 4.065) 4.871 16.804 ( -4.216 0.000 -0.481) 4.244 19.269 ( -2.292 0.000 7.946) 8.270 20.351 ( 1.578 -0.000 -3.757) 4.075 ======================= Grid point 317 (153/282) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -6.060 -8.395 10.920) 15.048 1.941 ( 5.676 1.609 0.573) 5.928 2.138 ( 1.450 0.130 -2.231) 2.664 2.305 ( -1.318 -1.076 -3.039) 3.483 2.412 ( 5.905 -2.907 -9.921) 11.906 2.641 ( -1.940 1.845 -5.172) 5.824 2.896 ( -4.474 -3.736 20.447) 21.261 3.575 ( 3.658 -12.622 5.823) 14.373 3.744 ( 2.998 4.272 16.615) 17.415 4.016 ( -2.515 -6.144 7.436) 9.969 4.156 ( -7.201 -1.603 -13.251) 15.166 4.479 ( 9.127 0.074 17.421) 19.667 4.776 ( -0.838 -4.302 -3.256) 5.460 5.200 ( 3.536 5.125 -12.883) 14.309 5.696 ( 13.315 -4.100 -1.819) 14.050 5.894 ( 13.564 -5.669 0.729) 14.720 6.896 ( 3.151 -6.890 -3.824) 8.487 7.562 ( -7.692 3.727 16.242) 18.354 7.632 ( 0.924 2.620 18.342) 18.551 7.945 ( 9.356 -3.046 0.482) 9.851 8.402 ( -5.440 -0.759 -14.559) 15.561 9.022 ( 4.488 3.010 -12.860) 13.949 10.734 ( 0.517 -0.655 13.919) 13.944 10.904 ( -1.393 1.923 2.660) 3.566 15.441 ( 8.642 -0.194 -5.795) 10.407 15.605 ( 10.801 -10.103 -10.780) 18.302 16.677 ( -7.005 6.684 2.863) 10.097 16.778 ( -4.226 0.704 -0.664) 4.335 19.335 ( 0.357 -1.910 8.566) 8.784 20.331 ( 0.536 0.383 -4.312) 4.362 ======================= Grid point 318 (154/282) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -3.975 -8.811 5.404) 11.074 1.947 ( 3.036 -0.890 -1.618) 3.553 2.185 ( 5.448 -0.941 -0.112) 5.530 2.284 ( -0.960 -0.197 -2.488) 2.674 2.457 ( 3.591 -2.611 -6.399) 7.789 2.552 ( -1.429 3.204 -4.877) 6.008 2.991 ( -3.346 0.292 14.504) 14.888 3.618 ( -10.401 8.952 -14.459) 19.934 3.946 ( -2.268 -16.588 -0.100) 16.743 3.993 ( -2.670 -14.273 6.402) 15.870 4.256 ( 5.974 0.983 3.832) 7.165 4.640 ( -3.010 -4.926 10.228) 11.745 4.865 ( 9.349 -0.034 4.099) 10.208 5.123 ( 7.995 0.705 -7.223) 10.798 5.858 ( 12.367 -1.190 -0.099) 12.424 6.171 ( 14.110 -10.765 -1.068) 17.780 6.995 ( -1.983 -6.263 -5.357) 8.477 7.500 ( -11.293 5.208 12.996) 17.988 7.699 ( 3.686 3.720 13.817) 14.776 8.034 ( 3.670 -1.033 -8.427) 9.249 8.359 ( 1.386 -6.249 -2.878) 7.018 8.891 ( 1.930 6.448 -11.870) 13.646 10.834 ( -0.176 -0.050 9.273) 9.275 10.873 ( -0.198 2.349 4.332) 4.932 15.533 ( 7.965 -3.957 -1.351) 8.996 15.828 ( 10.248 -12.627 -9.782) 18.978 16.505 ( -7.364 8.495 5.097) 12.345 16.692 ( -5.617 2.138 -3.277) 6.845 19.433 ( 1.453 -1.702 7.463) 7.791 20.293 ( -0.579 0.522 -3.878) 3.956 ======================= Grid point 319 (155/282) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 2.499 -3.122 -1.741) 4.361 2.059 ( 0.746 -7.704 3.586) 8.530 2.226 ( 0.135 1.460 -0.595) 1.582 2.255 ( 4.271 2.782 -0.806) 5.160 2.435 ( -1.360 5.356 -5.021) 7.467 2.484 ( 1.831 -2.865 -3.427) 4.827 3.089 ( 1.458 -6.193 5.184) 8.207 3.236 ( -14.758 6.722 -18.550) 24.639 3.972 ( -0.427 2.421 -8.527) 8.874 4.169 ( 7.572 6.924 -8.040) 13.035 4.455 ( -6.305 -19.920 11.498) 23.849 4.722 ( -1.955 -4.132 6.417) 7.879 5.030 ( 9.660 -2.575 7.786) 12.672 5.204 ( 3.276 -4.353 2.563) 6.021 5.973 ( 9.962 0.978 2.331) 10.277 6.451 ( 11.616 -7.971 -1.113) 14.132 6.941 ( -6.352 2.267 -10.069) 12.119 7.338 ( -10.737 9.296 7.866) 16.235 7.807 ( 3.861 -0.689 11.773) 12.409 8.013 ( -1.689 -5.373 -6.660) 8.722 8.533 ( 7.484 -8.331 -0.743) 11.224 8.690 ( -0.262 9.680 -9.755) 13.745 10.803 ( -2.554 3.525 2.837) 5.196 10.928 ( 0.094 0.382 9.196) 9.204 15.685 ( 5.819 -5.369 2.640) 8.346 16.059 ( 6.641 -11.557 -7.084) 15.095 16.345 ( -4.945 8.569 7.320) 12.307 16.574 ( -5.486 1.149 -6.020) 8.225 19.499 ( 1.310 0.678 4.519) 4.754 20.262 ( -1.279 -0.581 -1.916) 2.375 ======================= Grid point 320 (156/282) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 1.240 0.819 -2.957) 3.309 2.131 ( -0.973 4.213 -0.243) 4.330 2.227 ( 0.166 -4.380 3.005) 5.314 2.264 ( 2.421 3.603 -1.219) 4.509 2.302 ( 2.387 1.661 -4.029) 4.969 2.574 ( 6.153 -5.403 -0.922) 8.241 2.917 ( -10.457 2.434 -15.081) 18.512 3.293 ( 5.557 -13.408 -3.396) 14.906 3.753 ( 6.543 16.795 -14.822) 23.336 4.028 ( -0.638 7.483 -4.203) 8.606 4.663 ( -4.646 -3.987 5.738) 8.391 4.848 ( -1.274 -5.150 6.486) 8.379 5.153 ( 3.105 0.398 3.721) 4.863 5.378 ( -2.369 -9.642 11.989) 15.567 6.043 ( 5.059 2.961 5.213) 7.845 6.595 ( 4.438 1.609 -5.484) 7.236 6.699 ( -3.711 6.347 -11.078) 13.296 7.157 ( -8.646 7.506 10.390) 15.461 7.868 ( -0.396 4.149 11.227) 11.976 8.139 ( 1.768 -11.410 -7.404) 13.716 8.463 ( -0.935 8.611 -3.876) 9.490 8.721 ( 7.387 -7.752 -6.010) 12.280 10.733 ( -4.195 4.243 5.281) 7.968 10.956 ( -2.273 1.956 7.564) 8.136 15.837 ( 0.574 -5.377 5.769) 7.907 16.187 ( -3.710 -3.986 -5.460) 7.712 16.244 ( 1.376 6.038 9.566) 11.395 16.505 ( 0.923 -2.138 -8.273) 8.594 19.492 ( 0.459 3.454 1.419) 3.762 20.270 ( -1.207 -2.349 0.352) 2.665 ======================= Grid point 321 (157/282) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -1.819 6.313 0.881) 6.628 1.999 ( -4.579 9.759 1.914) 10.948 2.219 ( 3.710 -3.404 -3.454) 6.106 2.299 ( 3.174 -0.689 0.397) 3.272 2.368 ( 4.676 -2.997 -4.368) 7.066 2.756 ( 4.667 -7.409 -0.476) 8.769 2.769 ( -0.130 -0.824 -5.498) 5.561 3.401 ( 11.911 22.516 -15.418) 29.775 3.578 ( 8.227 -17.446 -8.200) 20.959 3.863 ( -6.237 7.186 0.767) 9.546 4.618 ( -5.050 6.874 4.819) 9.797 4.884 ( -2.051 5.086 6.406) 8.432 5.169 ( -0.115 1.122 3.148) 3.344 5.542 ( -6.804 -3.795 11.395) 13.804 5.982 ( -8.187 8.100 2.258) 11.736 6.379 ( 5.398 9.861 -8.713) 14.223 6.653 ( 1.415 3.509 -0.708) 3.850 7.093 ( -7.186 0.406 13.184) 15.020 7.848 ( -2.863 5.504 11.135) 12.747 8.089 ( 3.425 11.273 -7.345) 13.884 8.513 ( 1.393 -13.434 -2.805) 13.794 8.838 ( 5.710 -5.719 -10.662) 13.379 10.655 ( -5.717 5.163 8.544) 11.504 10.926 ( -5.084 3.091 7.147) 9.299 15.949 ( -5.447 -5.939 7.829) 11.235 16.071 ( -8.613 3.251 -4.285) 10.154 16.296 ( 6.253 1.807 7.477) 9.914 16.514 ( 5.458 -0.154 -8.106) 9.774 19.434 ( -0.468 3.731 0.787) 3.842 20.309 ( -0.711 -2.615 0.805) 2.827 ======================= Grid point 322 (158/282) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -6.877 6.670 8.461) 12.781 1.838 ( 3.425 11.118 8.268) 14.272 2.273 ( 1.168 -1.962 -4.788) 5.304 2.399 ( 8.120 -5.342 -1.813) 9.887 2.407 ( 2.587 -1.575 -3.323) 4.496 2.725 ( -4.795 -2.191 -6.861) 8.652 2.929 ( 8.120 -0.920 -1.375) 8.287 3.110 ( 17.961 17.073 -3.604) 25.042 3.655 ( -6.558 11.807 7.719) 15.556 3.917 ( 5.442 -20.638 -12.276) 24.623 4.450 ( -4.821 11.018 7.412) 14.127 4.712 ( -2.758 18.681 7.072) 20.165 5.168 ( -1.526 1.070 2.813) 3.375 5.505 ( -9.719 3.843 2.276) 10.696 5.732 ( -10.191 7.656 2.102) 12.919 6.290 ( 8.625 11.017 2.511) 14.215 6.561 ( 0.703 6.934 0.795) 7.015 7.180 ( -7.451 -6.806 15.451) 18.455 7.787 ( -3.182 6.294 9.327) 11.693 7.879 ( 4.748 14.129 -3.651) 15.346 8.736 ( 3.267 -13.357 -6.183) 15.078 8.878 ( 3.555 -3.945 -13.459) 14.469 10.571 ( -6.148 6.150 11.109) 14.108 10.872 ( -7.275 2.106 8.251) 11.200 15.884 ( -9.601 3.604 -7.750) 12.854 16.052 ( -5.790 -6.124 8.400) 11.899 16.346 ( 6.355 5.477 0.460) 8.402 16.513 ( 7.586 1.304 -0.605) 7.721 19.387 ( -1.634 1.850 2.123) 3.256 20.342 ( -0.030 -1.414 -0.188) 1.426 ======================= Grid point 323 (159/282) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -1.786 8.434 12.998) 15.597 1.783 ( 2.954 10.395 13.486) 17.282 2.258 ( -2.211 -1.731 -5.635) 6.296 2.410 ( 1.852 1.858 -0.049) 2.624 2.567 ( 8.013 -4.769 -3.199) 9.859 2.622 ( 2.631 2.974 -9.925) 10.690 2.910 ( -0.397 0.249 -4.021) 4.048 3.193 ( 16.855 5.135 15.036) 23.163 3.450 ( -3.745 12.022 9.199) 15.594 4.056 ( -6.796 5.311 5.181) 10.061 4.305 ( -8.046 26.400 15.863) 31.833 4.458 ( 10.527 -8.385 -10.291) 16.942 5.083 ( -5.871 4.838 -4.032) 8.610 5.388 ( -7.556 -1.047 1.198) 7.721 5.603 ( -2.218 4.517 2.168) 5.480 6.103 ( 3.353 18.895 0.505) 19.197 6.563 ( 6.064 1.397 12.050) 13.562 7.342 ( -7.777 -7.603 16.112) 19.440 7.638 ( -0.148 15.929 -1.141) 15.971 7.732 ( 2.166 5.648 5.270) 8.023 8.861 ( 1.480 -2.452 -14.075) 14.364 8.915 ( 4.443 -9.773 -8.551) 13.725 10.500 ( -4.906 5.517 13.295) 15.208 10.845 ( -7.958 -0.788 9.149) 12.151 15.675 ( -8.104 4.472 -8.499) 12.566 16.054 ( 4.912 9.840 -7.213) 13.152 16.341 ( -3.719 -6.606 6.516) 9.997 16.616 ( 9.194 -0.295 5.282) 10.607 19.364 ( -3.603 0.644 3.384) 4.985 20.353 ( 0.918 -0.179 -1.371) 1.659 ======================= Grid point 324 (160/282) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.176 7.201 15.505) 17.096 1.704 ( 4.898 11.826 10.700) 16.683 2.227 ( -4.111 -1.818 -3.604) 5.761 2.392 ( 0.214 1.972 1.834) 2.701 2.529 ( 6.465 2.616 -11.816) 13.721 2.689 ( 5.006 -2.866 -4.988) 7.626 2.887 ( -9.311 -0.211 7.527) 11.975 3.231 ( 3.356 10.072 12.981) 16.769 3.519 ( 17.483 0.981 20.276) 26.790 3.845 ( -6.546 21.704 6.521) 23.589 3.876 ( -5.238 19.732 20.316) 28.802 4.691 ( 3.479 -10.745 -8.125) 13.913 4.928 ( -4.600 1.559 -5.249) 7.151 5.356 ( -4.866 -2.763 -5.043) 7.533 5.542 ( 4.425 4.337 -2.754) 6.781 5.833 ( 2.758 15.206 0.356) 15.458 6.741 ( 8.285 0.102 18.337) 20.122 7.353 ( -2.267 14.537 0.614) 14.725 7.481 ( -7.724 -4.772 15.426) 17.899 7.722 ( 4.853 3.704 4.482) 7.573 8.797 ( -1.194 -1.074 -13.730) 13.824 9.026 ( 5.849 -5.768 -10.592) 13.404 10.487 ( -2.900 3.172 15.145) 15.743 10.867 ( -7.040 -3.141 7.992) 11.104 15.490 ( -3.161 3.809 -8.125) 9.514 15.818 ( 8.447 15.252 -12.909) 21.694 16.525 ( -5.026 -12.103 8.151) 15.433 16.738 ( 7.350 -0.641 4.144) 8.462 19.329 ( -5.590 1.528 4.244) 7.183 20.353 ( 1.877 0.179 -2.196) 2.894 ======================= Grid point 327 (161/282) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -9.713 0.000 11.808) 15.290 2.024 ( 6.932 -0.000 -3.040) 7.569 2.103 ( -0.945 0.000 -3.490) 3.616 2.260 ( -1.643 0.000 -2.716) 3.174 2.403 ( 7.078 -0.000 -5.334) 8.863 2.620 ( 0.254 -0.000 -3.457) 3.467 2.975 ( -2.271 0.000 21.441) 21.561 3.529 ( 2.959 -0.000 3.072) 4.265 3.741 ( -23.345 0.000 -12.262) 26.369 3.952 ( -5.054 0.000 13.846) 14.740 4.187 ( 18.656 -0.000 7.269) 20.023 4.642 ( -3.805 0.000 -7.940) 8.805 4.728 ( 10.187 -0.000 15.240) 18.332 5.195 ( 5.633 -0.000 -13.085) 14.246 5.774 ( 14.862 -0.000 -2.420) 15.058 5.987 ( 14.723 -0.000 -1.595) 14.809 6.858 ( 5.574 -0.000 -4.992) 7.483 7.594 ( -11.574 0.000 15.578) 19.407 7.813 ( 3.710 -0.000 13.286) 13.794 8.008 ( 9.716 -0.000 0.017) 9.716 8.239 ( -6.634 0.000 -11.567) 13.335 8.995 ( 2.577 -0.000 -12.334) 12.600 10.824 ( 1.049 -0.000 11.484) 11.532 10.925 ( 0.122 -0.000 0.650) 0.662 15.458 ( 7.852 -0.000 -11.203) 13.681 15.598 ( 14.805 -0.000 -3.456) 15.203 16.611 ( -10.791 0.000 -5.419) 12.075 16.786 ( -2.954 0.000 3.757) 4.779 19.389 ( 0.998 -0.000 9.664) 9.716 20.307 ( 0.540 -0.000 -5.031) 5.060 ======================= Grid point 328 (162/282) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -8.678 -9.189 9.236) 15.654 1.995 ( 4.946 2.774 -3.431) 6.627 2.168 ( 2.234 -6.112 -2.450) 6.953 2.230 ( -2.005 -0.549 -2.078) 2.939 2.441 ( 6.364 -0.237 -5.631) 8.501 2.597 ( 3.275 3.314 -0.847) 4.735 3.080 ( -5.121 1.461 17.890) 18.666 3.405 ( -19.825 0.956 -17.942) 26.756 3.687 ( 1.174 -13.185 2.301) 13.435 3.983 ( -3.016 1.832 16.791) 17.158 4.407 ( 16.312 2.782 -3.582) 16.931 4.554 ( -7.114 -3.953 2.024) 8.386 4.935 ( 6.184 -4.222 7.535) 10.622 5.160 ( 9.132 1.199 -11.945) 15.084 5.942 ( 14.527 -3.752 -2.672) 15.240 6.146 ( 13.727 -6.022 -4.456) 15.638 6.886 ( 3.049 -1.520 -6.287) 7.150 7.560 ( -11.448 3.494 14.435) 18.751 7.854 ( 2.803 2.315 -1.889) 4.097 8.027 ( 2.012 4.170 -1.182) 4.778 8.254 ( 2.073 -8.119 2.960) 8.887 8.905 ( 0.492 3.190 -10.695) 11.172 10.883 ( 0.442 1.005 2.071) 2.344 10.936 ( 0.768 0.447 6.263) 6.325 15.500 ( 7.356 -4.788 -8.566) 12.264 15.766 ( 15.232 -4.300 -2.043) 15.958 16.457 ( -11.423 0.089 -6.773) 13.280 16.736 ( -3.092 5.270 3.265) 6.928 19.472 ( 0.352 -1.276 8.763) 8.863 20.273 ( 0.553 0.635 -4.788) 4.861 ======================= Grid point 329 (163/282) ======================= q-point: ( 0.40 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -5.676 -9.823 5.935) 12.804 2.041 ( 8.938 -2.459 -1.210) 9.348 2.214 ( -2.934 -1.579 -0.792) 3.424 2.274 ( 3.400 -4.836 -2.015) 6.246 2.431 ( 3.753 2.186 -7.515) 8.680 2.545 ( 3.682 6.347 -1.938) 7.589 3.045 ( -8.111 2.158 -5.009) 9.774 3.135 ( -9.230 4.590 4.941) 11.431 3.923 ( 3.151 -7.651 -4.277) 9.315 4.138 ( -2.585 -14.354 11.492) 18.568 4.336 ( 3.136 6.584 -6.843) 10.000 4.645 ( -3.220 -4.554 5.851) 8.083 5.087 ( 4.977 -4.053 3.100) 7.128 5.187 ( 7.002 -2.074 -6.354) 9.680 6.081 ( 10.869 -0.463 -2.348) 11.130 6.390 ( 11.351 -11.850 -6.812) 17.767 6.840 ( -1.198 2.093 -9.837) 10.128 7.448 ( -9.149 7.811 10.272) 15.819 7.832 ( 0.633 -3.426 -7.072) 7.883 8.007 ( 1.637 4.315 10.371) 11.351 8.443 ( 4.134 -8.426 -0.851) 9.424 8.763 ( -0.369 6.268 -6.881) 9.315 10.848 ( -0.415 2.738 -0.676) 2.851 10.986 ( -0.723 0.132 7.080) 7.118 15.625 ( 4.815 -7.776 -4.328) 10.118 15.977 ( 12.611 -5.304 -0.512) 13.691 16.322 ( -9.475 -2.137 -6.792) 11.852 16.613 ( -2.405 8.202 2.744) 8.977 19.539 ( -0.708 -0.575 5.766) 5.838 20.240 ( 0.433 0.506 -2.984) 3.057 ======================= Grid point 330 (164/282) ======================= q-point: ( 0.50 0.20 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -1.974 -4.571 2.247) 5.463 2.186 ( 5.890 -3.409 -1.044) 6.884 2.201 ( -2.217 0.584 1.431) 2.703 2.326 ( 4.237 3.785 -6.818) 8.875 2.356 ( 2.342 3.206 -1.506) 4.246 2.479 ( 0.555 -4.204 -6.901) 8.099 2.893 ( 4.617 6.512 -1.978) 8.224 3.146 ( -2.215 -5.852 3.694) 7.266 3.924 ( 5.120 5.209 -8.159) 10.950 4.165 ( 6.236 10.941 -11.118) 16.799 4.472 ( -7.826 -17.130 10.713) 21.667 4.749 ( -4.467 -7.985 7.054) 11.553 5.161 ( -1.755 -1.781 -0.784) 2.621 5.291 ( 2.903 -6.522 2.228) 7.478 6.136 ( 3.105 1.469 -0.547) 3.478 6.527 ( -1.089 -3.770 -18.755) 19.161 6.737 ( 6.648 3.071 -1.252) 7.429 7.304 ( -5.240 9.093 10.426) 14.793 7.898 ( -1.794 -9.208 -4.767) 10.523 8.042 ( 3.776 3.273 11.028) 12.108 8.510 ( -2.191 0.405 -10.040) 10.284 8.678 ( 5.276 0.615 0.380) 5.326 10.789 ( -1.995 3.255 1.706) 4.182 10.999 ( -3.418 1.100 5.331) 6.428 15.754 ( -1.123 -6.837 -0.854) 6.981 16.124 ( 2.865 -0.694 2.298) 3.738 16.286 ( -2.819 -6.281 -5.575) 8.859 16.498 ( 3.049 5.970 1.240) 6.818 19.545 ( -1.442 1.797 1.850) 2.955 20.235 ( 0.205 -0.994 -0.168) 1.029 ======================= Grid point 331 (165/282) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -2.743 3.070 -0.066) 4.117 2.147 ( 0.089 6.359 2.445) 6.813 2.186 ( 1.651 -1.566 -2.179) 3.151 2.323 ( 3.637 -2.691 -5.597) 7.197 2.349 ( 6.533 1.463 -1.826) 6.939 2.550 ( -3.913 -6.832 -4.457) 9.047 2.933 ( 17.461 3.559 5.083) 18.531 3.306 ( 2.855 -13.782 -6.206) 15.382 3.767 ( 11.720 15.846 -9.452) 21.859 3.968 ( 0.886 9.250 -4.292) 10.236 4.629 ( -6.533 -3.591 4.922) 8.933 4.881 ( -4.283 -6.030 6.426) 9.798 5.158 ( -3.980 -2.221 0.504) 4.586 5.437 ( -5.744 -7.622 5.538) 11.034 6.020 ( -10.370 7.538 -2.539) 13.069 6.421 ( 3.362 -1.207 -12.619) 13.115 6.765 ( 4.808 4.575 3.612) 7.556 7.199 ( -3.136 7.630 11.273) 13.969 7.968 ( -1.248 0.335 4.813) 4.983 8.137 ( 6.425 -4.022 -3.352) 8.289 8.387 ( -3.065 1.260 -3.202) 4.609 8.742 ( 5.047 -2.744 -6.719) 8.841 10.730 ( -3.800 3.570 5.487) 7.569 10.958 ( -6.256 2.168 4.558) 8.039 15.811 ( -6.718 -5.878 -1.070) 8.990 16.073 ( -6.226 5.698 5.184) 9.904 16.383 ( 2.961 -7.010 -0.530) 7.628 16.506 ( 8.722 1.853 -2.133) 9.168 19.489 ( -1.686 3.318 -0.098) 3.723 20.269 ( 0.009 -2.215 1.278) 2.557 ======================= Grid point 332 (166/282) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -2.799 3.797 5.099) 6.946 2.071 ( 3.071 7.113 4.387) 8.904 2.262 ( 4.481 -2.046 -1.573) 5.171 2.365 ( 2.256 -3.062 -4.581) 5.954 2.386 ( 5.060 -1.254 -0.517) 5.239 2.565 ( -5.397 -4.856 -4.267) 8.421 3.061 ( 14.893 4.831 -2.287) 15.823 3.542 ( 5.619 -14.426 -11.991) 19.583 3.573 ( 18.634 15.626 -3.700) 24.599 3.838 ( 0.140 5.846 5.377) 7.944 4.579 ( -5.675 4.808 4.638) 8.765 4.914 ( -3.866 3.418 5.929) 7.860 5.157 ( -4.019 -0.547 0.594) 4.099 5.429 ( -12.563 -0.116 -2.551) 12.820 5.779 ( -10.355 7.020 4.540) 13.308 6.448 ( 4.364 -1.375 -1.117) 4.710 6.716 ( 2.317 8.344 3.519) 9.347 7.160 ( -6.207 1.099 14.277) 15.607 7.948 ( 1.839 6.497 7.124) 9.816 8.106 ( 5.486 9.351 -5.916) 12.351 8.484 ( 0.200 -14.369 -4.224) 14.978 8.759 ( 3.586 -2.270 -12.090) 12.813 10.673 ( -4.898 4.261 9.059) 11.145 10.884 ( -7.969 2.061 5.394) 9.842 15.789 ( -6.801 -0.870 -6.639) 9.544 15.990 ( -8.040 0.191 11.920) 14.380 16.501 ( 6.970 4.348 -7.505) 11.128 16.538 ( 5.258 -4.141 4.823) 8.250 19.421 ( -1.870 2.732 0.603) 3.365 20.313 ( 0.061 -1.985 0.780) 2.134 ======================= Grid point 333 (167/282) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -1.413 3.873 10.201) 11.002 2.031 ( 3.382 6.221 6.763) 9.792 2.247 ( 1.452 4.682 -2.397) 5.457 2.391 ( 0.246 -2.092 -4.032) 4.549 2.508 ( 4.259 -6.910 -1.542) 8.262 2.560 ( -3.981 -3.778 -4.524) 7.113 2.990 ( 10.169 9.983 -10.363) 17.620 3.581 ( 2.367 5.926 1.522) 6.560 3.611 ( 15.764 4.391 8.789) 18.575 3.974 ( 9.725 -9.505 -0.276) 13.602 4.479 ( -2.133 5.041 6.056) 8.163 4.737 ( -4.569 18.319 6.058) 19.828 5.056 ( -7.617 4.401 -5.244) 10.242 5.284 ( -9.653 -0.529 -3.151) 10.168 5.663 ( -5.476 3.593 7.139) 9.688 6.418 ( 2.362 13.389 1.301) 13.657 6.682 ( 3.550 -0.987 9.314) 10.017 7.249 ( -8.782 -6.701 16.903) 20.193 7.884 ( -0.586 12.330 6.341) 13.877 7.933 ( 8.928 10.201 -4.857) 14.400 8.678 ( -0.359 -10.315 -9.940) 14.330 8.750 ( 4.996 -5.799 -12.985) 15.073 10.624 ( -4.404 4.461 11.809) 13.369 10.828 ( -7.848 0.416 7.075) 10.574 15.648 ( -4.190 4.711 -5.833) 8.589 16.064 ( -6.196 -6.067 10.137) 13.340 16.385 ( 4.846 9.099 -7.556) 12.782 16.680 ( 4.351 -3.508 3.849) 6.786 19.376 ( -2.307 1.634 2.351) 3.677 20.341 ( 0.369 -1.036 -0.530) 1.221 ======================= Grid point 334 (168/282) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.174 4.444 9.565) 10.548 1.986 ( 3.025 9.879 6.539) 12.228 2.162 ( -1.544 1.618 -2.720) 3.521 2.380 ( -0.604 -0.731 -5.381) 5.464 2.549 ( -0.889 -0.540 -3.038) 3.211 2.626 ( 2.283 -5.137 -4.814) 7.401 2.880 ( 2.694 4.478 -1.410) 5.413 3.510 ( 3.831 7.017 6.068) 10.037 3.819 ( 14.737 0.168 14.836) 20.912 4.094 ( 4.780 8.230 7.650) 12.211 4.361 ( -5.193 26.096 13.042) 29.632 4.542 ( 6.102 -6.977 -2.789) 9.680 4.855 ( -8.871 2.468 -8.937) 12.832 5.200 ( -6.580 -1.871 -6.187) 9.224 5.634 ( 1.901 2.561 3.396) 4.659 6.162 ( 3.378 18.386 0.279) 18.696 6.883 ( 4.670 -5.227 15.841) 17.322 7.398 ( -9.746 -7.207 16.910) 20.805 7.612 ( -1.111 17.351 -0.272) 17.389 7.900 ( 9.704 6.449 1.522) 11.751 8.650 ( -2.090 -2.496 -14.617) 14.975 8.886 ( 5.793 -9.293 -11.278) 15.719 10.614 ( -2.547 3.200 13.908) 14.496 10.821 ( -6.139 -1.694 7.375) 9.744 15.508 ( 0.086 5.131 -4.641) 6.919 16.051 ( 5.485 11.841 -7.946) 15.279 16.344 ( -4.952 -8.475 6.648) 11.855 16.779 ( 1.742 -2.265 2.287) 3.659 19.348 ( -2.410 1.781 4.138) 5.109 20.349 ( 0.647 -0.404 -1.890) 2.038 ======================= Grid point 338 (169/282) ======================= q-point: ( 0.30 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -10.093 0.000 10.497) 14.562 2.065 ( 4.512 -0.000 -4.381) 6.289 2.077 ( 0.558 -0.000 0.567) 0.796 2.201 ( -0.389 0.000 -2.493) 2.523 2.463 ( 6.279 -0.000 -6.119) 8.767 2.676 ( 3.569 -0.000 2.187) 4.186 3.139 ( -11.747 0.000 -12.671) 17.279 3.172 ( -5.520 0.000 17.651) 18.494 3.600 ( 1.632 -0.000 0.879) 1.854 4.075 ( -10.088 0.000 19.890) 22.302 4.417 ( -7.137 0.000 -10.296) 12.528 4.588 ( 18.746 -0.000 -2.069) 18.860 4.972 ( 0.540 -0.000 5.860) 5.885 5.176 ( 10.704 -0.000 -13.421) 17.167 5.994 ( 12.393 -0.000 -6.669) 14.074 6.175 ( 10.266 -0.000 -7.688) 12.825 6.885 ( 5.054 -0.000 -6.177) 7.982 7.583 ( -10.823 0.000 14.597) 18.172 7.806 ( 1.267 -0.000 -14.750) 14.804 8.181 ( -4.248 0.000 14.702) 15.303 8.186 ( 9.650 -0.000 -2.203) 9.899 8.866 ( -0.187 0.000 -8.538) 8.540 10.897 ( 1.224 -0.000 -2.736) 2.997 10.985 ( -0.481 0.000 6.771) 6.788 15.458 ( 7.941 -0.000 -11.070) 13.623 15.895 ( 16.520 -0.000 2.453) 16.701 16.280 ( -11.955 0.000 -10.576) 15.962 16.776 ( -3.146 0.000 3.452) 4.671 19.514 ( -1.771 0.000 8.386) 8.571 20.258 ( 1.880 -0.000 -4.831) 5.184 ======================= Grid point 339 (170/282) ======================= q-point: ( 0.40 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -8.069 -10.087 9.193) 15.854 2.087 ( 7.733 -0.854 -1.529) 7.928 2.129 ( -1.878 -2.591 -0.020) 3.200 2.210 ( 0.739 -3.665 -1.261) 3.945 2.469 ( 6.093 1.365 -7.524) 9.778 2.633 ( -1.975 4.683 -4.819) 7.004 3.045 ( 6.106 2.834 0.935) 6.796 3.198 ( -9.143 3.089 14.799) 17.668 3.721 ( 0.775 -12.093 -1.138) 12.171 4.081 ( -7.492 -0.252 12.633) 14.690 4.294 ( -9.507 -1.889 -6.657) 11.759 4.695 ( 10.687 3.396 -1.730) 11.347 5.036 ( -1.321 -5.214 0.631) 5.416 5.191 ( 10.942 -0.070 -12.406) 16.542 6.097 ( 8.048 -5.721 -9.650) 13.807 6.222 ( 4.192 -5.317 -11.555) 13.393 6.865 ( 4.532 2.904 -5.727) 7.859 7.545 ( -8.056 4.200 11.718) 14.827 7.739 ( 0.927 -0.876 -9.118) 9.207 8.171 ( 2.552 3.909 8.256) 9.485 8.334 ( 0.426 -6.291 -0.594) 6.333 8.803 ( 1.954 2.569 -4.340) 5.409 10.873 ( 0.783 1.534 -3.276) 3.701 11.013 ( -2.603 0.034 5.249) 5.859 15.509 ( 6.717 -5.749 -9.591) 13.044 16.080 ( 14.185 -1.170 0.953) 14.265 16.115 ( -9.710 -2.443 -8.236) 12.965 16.727 ( -2.719 4.946 3.462) 6.621 19.545 ( -3.802 -0.802 6.012) 7.158 20.245 ( 2.719 0.752 -3.584) 4.561 ======================= Grid point 340 (171/282) ======================= q-point: ( 0.50 0.30 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -4.903 -10.547 6.839) 13.492 2.125 ( -2.578 -2.308 -3.738) 5.094 2.176 ( 3.343 -2.151 -1.253) 4.168 2.322 ( 2.474 -6.233 3.169) 7.417 2.389 ( 0.907 5.065 -9.008) 10.374 2.524 ( 8.258 5.665 -7.143) 12.301 3.104 ( -1.608 2.661 9.180) 9.692 3.138 ( 8.352 6.016 7.967) 13.016 3.895 ( 3.853 -7.112 -10.670) 13.389 4.185 ( -11.250 -13.061 12.463) 21.272 4.231 ( -3.995 -2.342 -1.016) 4.741 4.688 ( 1.017 1.529 1.247) 2.220 5.073 ( -2.714 -2.562 -5.863) 6.950 5.239 ( 6.658 -3.539 -6.415) 9.900 6.141 ( 0.598 0.008 -6.306) 6.334 6.249 ( -2.942 -9.727 -21.193) 23.503 6.849 ( 6.692 1.785 0.300) 6.932 7.472 ( -3.198 6.765 10.194) 12.645 7.731 ( -1.520 -4.439 -4.571) 6.550 8.203 ( 3.650 2.866 7.996) 9.245 8.364 ( -5.153 -3.819 -8.421) 10.586 8.785 ( 6.980 3.207 0.551) 7.702 10.825 ( -0.727 2.288 -1.169) 2.670 11.000 ( -5.417 0.619 3.681) 6.578 15.607 ( 0.934 -6.686 -6.495) 9.368 16.047 ( -4.215 -9.072 -12.024) 15.641 16.232 ( 7.825 2.509 6.865) 10.707 16.642 ( 1.164 5.610 3.418) 6.672 19.541 ( -4.992 -0.192 2.486) 5.580 20.243 ( 2.851 0.550 -1.211) 3.146 ======================= Grid point 341 (172/282) ======================= q-point: (-0.40 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -2.221 -2.719 2.450) 4.281 2.117 ( -3.605 -4.801 -1.971) 6.319 2.187 ( -1.604 0.762 0.642) 1.889 2.311 ( 5.302 0.502 -7.211) 8.965 2.421 ( 1.413 -0.009 -1.467) 2.037 2.499 ( 9.033 2.958 -0.360) 9.512 3.101 ( -3.999 -5.971 -0.783) 7.229 3.253 ( 20.234 6.081 5.064) 21.727 3.908 ( 2.146 0.107 -3.984) 4.526 4.157 ( 7.769 8.804 -6.932) 13.635 4.441 ( -10.105 -14.582 9.727) 20.232 4.742 ( -6.418 -7.766 6.490) 11.985 5.031 ( -5.274 -3.918 -5.653) 8.667 5.307 ( -1.173 -4.213 -3.521) 5.615 5.993 ( -9.887 4.437 -7.318) 13.076 6.264 ( 0.620 -8.342 -13.746) 16.091 6.898 ( 2.894 2.359 5.298) 6.481 7.393 ( -1.432 8.656 9.191) 12.707 7.819 ( 0.305 -11.206 -4.789) 12.191 8.239 ( 4.910 4.051 6.716) 9.253 8.283 ( -7.013 -2.539 -10.819) 13.141 8.808 ( 8.640 4.096 -0.382) 9.569 10.775 ( -2.630 2.226 2.510) 4.263 10.940 ( -8.211 1.297 2.988) 8.833 15.640 ( -5.093 -5.240 -4.737) 8.708 16.150 ( -1.354 -5.844 -1.226) 6.122 16.229 ( 1.505 0.422 0.451) 1.627 16.643 ( 7.082 2.867 2.996) 8.207 19.494 ( -4.947 0.938 0.034) 5.035 20.265 ( 2.294 -0.372 0.735) 2.437 ======================= Grid point 342 (173/282) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -0.268 1.710 3.883) 4.252 2.160 ( -2.591 0.884 1.919) 3.343 2.219 ( 2.711 -6.701 -0.062) 7.229 2.322 ( 2.407 -1.276 -4.716) 5.446 2.407 ( 2.353 0.697 -1.871) 3.086 2.513 ( 2.098 3.286 0.540) 3.936 3.203 ( 3.974 -8.940 -9.344) 13.529 3.346 ( 13.208 2.822 -4.643) 14.282 3.920 ( 2.715 1.385 5.329) 6.139 4.025 ( 17.276 14.560 -5.564) 23.268 4.547 ( -8.085 -4.211 4.323) 10.089 4.851 ( -8.408 -6.900 5.589) 12.229 5.058 ( -6.193 -7.165 -0.997) 9.522 5.272 ( -7.757 -0.832 -6.146) 9.931 5.808 ( -9.190 3.977 3.284) 10.539 6.350 ( 0.244 -9.334 -4.269) 10.266 6.878 ( -1.461 5.620 7.092) 9.166 7.281 ( -4.989 8.378 10.020) 13.982 8.009 ( 7.471 -10.024 -8.622) 15.186 8.183 ( -4.964 0.481 -4.198) 6.519 8.273 ( 2.841 -1.643 -0.109) 3.284 8.789 ( 7.776 6.016 -4.119) 10.660 10.738 ( -3.920 2.141 6.535) 7.916 10.854 ( -9.726 1.032 3.696) 10.456 15.647 ( -4.418 -4.820 -3.906) 7.616 16.062 ( -7.177 7.291 10.527) 14.680 16.395 ( 5.262 -11.405 -7.055) 14.406 16.667 ( 5.486 4.303 1.950) 7.239 19.431 ( -3.896 1.177 0.011) 4.070 20.301 ( 1.423 -0.863 1.074) 1.981 ======================= Grid point 343 (174/282) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 1.339 2.699 8.210) 8.745 2.132 ( -1.787 1.146 2.318) 3.143 2.322 ( -1.748 -1.726 -3.135) 3.983 2.334 ( 3.918 -0.468 -1.696) 4.295 2.422 ( -1.473 -2.639 0.007) 3.022 2.463 ( 0.993 0.584 -2.696) 2.931 3.226 ( 12.598 10.290 -8.970) 18.576 3.410 ( 3.023 -10.913 -15.190) 18.947 3.946 ( 8.811 5.443 2.741) 10.713 4.043 ( 12.473 -0.136 7.142) 14.374 4.543 ( -2.480 1.229 4.465) 5.253 4.822 ( -10.492 1.216 -1.669) 10.693 5.054 ( -6.386 1.051 -2.612) 6.979 5.182 ( -3.784 1.004 0.275) 3.924 5.717 ( -7.801 3.149 10.133) 13.170 6.504 ( 0.605 -6.837 3.132) 7.545 6.790 ( -2.430 6.878 6.857) 10.011 7.213 ( -8.516 0.208 13.664) 16.102 8.032 ( 0.320 1.736 -13.742) 13.855 8.143 ( 8.400 8.261 5.371) 12.948 8.409 ( 0.982 -14.431 -7.400) 16.247 8.711 ( 6.063 5.541 -8.146) 11.568 10.718 ( -3.706 2.545 9.817) 10.798 10.789 ( -9.110 -0.653 5.451) 10.637 15.643 ( -0.391 0.247 -3.729) 3.757 16.002 ( -8.504 -0.658 13.016) 15.562 16.500 ( 6.360 2.096 -9.558) 11.671 16.664 ( 0.516 -1.485 2.962) 3.353 19.390 ( -2.356 0.700 1.568) 2.915 20.328 ( 0.546 -0.628 0.206) 0.857 ======================= Grid point 344 (175/282) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -0.305 4.455 5.445) 7.042 2.132 ( 0.811 1.134 3.143) 3.438 2.236 ( -1.445 8.781 -0.785) 8.934 2.306 ( -1.546 -2.236 -5.819) 6.423 2.466 ( -2.408 -3.485 1.617) 4.534 2.518 ( 0.372 -5.706 -3.791) 6.861 3.073 ( 11.125 12.728 -7.536) 18.508 3.505 ( 2.004 -7.875 -10.239) 13.072 3.998 ( 5.647 1.092 6.243) 8.489 4.268 ( 10.509 -6.921 0.584) 12.597 4.537 ( 0.966 1.925 5.453) 5.863 4.666 ( -4.103 5.967 0.964) 7.305 4.833 ( -8.256 14.851 -1.766) 17.083 5.145 ( -1.631 2.512 3.112) 4.319 5.704 ( -0.658 0.810 7.651) 7.722 6.456 ( 0.845 12.900 1.317) 12.995 6.872 ( -0.495 -8.982 11.908) 14.924 7.290 ( -9.795 -7.214 14.802) 19.159 7.847 ( -1.406 11.235 -6.177) 12.898 8.110 ( 9.603 7.696 -0.471) 12.315 8.531 ( 1.518 -1.811 -8.838) 9.149 8.693 ( 4.761 -8.046 -11.277) 14.649 10.724 ( -2.035 2.036 11.900) 12.243 10.778 ( -6.769 -2.122 6.463) 9.596 15.587 ( 3.048 4.879 -1.751) 6.014 16.090 ( -6.119 -6.552 11.074) 14.248 16.357 ( 4.119 10.088 -8.905) 14.073 16.733 ( -1.960 -4.067 0.450) 4.537 19.383 ( -0.640 0.577 3.474) 3.579 20.333 ( -0.277 -0.197 -1.130) 1.180 ======================= Grid point 349 (176/282) ======================= q-point: ( 0.40 0.40 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -8.773 0.000 11.016) 14.082 2.130 ( 4.480 -0.000 -6.286) 7.719 2.140 ( 2.992 -0.000 3.467) 4.579 2.160 ( -0.194 0.000 4.301) 4.306 2.462 ( 0.448 -0.000 -8.239) 8.251 2.626 ( 3.545 -0.000 -6.662) 7.547 3.225 ( -12.073 0.000 14.274) 18.695 3.236 ( 17.619 -0.000 10.150) 20.334 3.601 ( 0.063 -0.000 -4.453) 4.454 4.089 ( -15.000 0.000 17.513) 23.059 4.096 ( -10.960 0.000 -10.021) 14.851 4.842 ( 13.985 -0.000 -6.040) 15.234 4.925 ( -8.743 0.000 -0.662) 8.768 5.220 ( 13.183 -0.000 -14.003) 19.232 5.971 ( 1.600 -0.000 -17.514) 17.587 6.152 ( 1.478 -0.000 -11.398) 11.493 6.895 ( 3.978 -0.000 -4.625) 6.100 7.572 ( -8.890 0.000 10.941) 14.097 7.708 ( 2.772 -0.000 -5.416) 6.084 8.230 ( -0.575 0.000 -7.201) 7.224 8.294 ( -1.105 0.000 9.595) 9.658 8.842 ( 6.935 -0.000 -1.805) 7.166 10.866 ( 0.210 -0.000 -3.819) 3.824 11.010 ( -4.554 0.000 3.958) 6.034 15.461 ( 8.039 -0.000 -11.007) 13.630 15.895 ( -9.400 0.000 -14.885) 17.605 16.267 ( 14.277 -0.000 8.032) 16.381 16.761 ( -3.168 0.000 3.269) 4.552 19.526 ( -6.323 0.000 4.579) 7.807 20.261 ( 4.159 -0.000 -3.208) 5.252 ======================= Grid point 350 (177/282) ======================= q-point: (-0.50 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -7.075 -10.622 9.899) 16.152 2.074 ( -2.940 0.868 -3.826) 4.903 2.180 ( 3.032 0.445 1.471) 3.399 2.295 ( 4.228 -4.873 5.964) 8.786 2.386 ( 1.183 1.492 -9.384) 9.575 2.626 ( 9.964 2.080 -7.937) 12.908 3.139 ( -15.816 4.366 11.275) 19.908 3.452 ( 19.004 4.609 6.682) 20.665 3.677 ( 2.675 -11.597 -4.657) 12.780 3.981 ( -12.817 -5.549 1.775) 14.079 4.092 ( -13.890 -5.375 12.650) 19.541 4.751 ( -5.576 4.752 -2.114) 7.625 4.973 ( 4.487 -3.592 -7.634) 9.556 5.239 ( 11.465 1.080 -12.225) 16.795 5.912 ( -3.217 -8.532 -21.803) 23.633 6.073 ( -2.371 -0.267 -9.892) 10.175 6.903 ( 2.861 -0.439 -1.424) 3.226 7.553 ( -7.255 0.621 9.002) 11.578 7.681 ( -0.666 1.723 -1.852) 2.616 8.165 ( -6.730 -2.691 -8.628) 11.269 8.344 ( 3.468 1.446 6.044) 7.117 8.909 ( 10.674 1.539 -0.447) 10.794 10.827 ( -2.279 0.862 -2.250) 3.317 10.977 ( -6.099 0.844 3.192) 6.935 15.492 ( 4.543 -3.220 -9.596) 11.095 15.774 ( -4.117 -7.353 -14.834) 17.061 16.425 ( 9.503 3.547 9.205) 13.697 16.733 ( -0.930 2.279 3.243) 4.071 19.487 ( -7.701 -0.639 2.170) 8.026 20.280 ( 4.512 0.634 -1.930) 4.948 ======================= Grid point 351 (178/282) ======================= q-point: (-0.40 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -4.539 -11.063 6.242) 13.489 2.014 ( -4.168 -1.260 -2.063) 4.818 2.194 ( 0.723 1.024 0.973) 1.586 2.328 ( 4.199 1.244 -5.824) 7.287 2.432 ( 4.068 -1.555 2.087) 4.829 2.636 ( 10.576 2.725 -6.846) 12.889 2.995 ( -12.701 0.715 4.512) 13.497 3.503 ( 7.089 2.857 -7.083) 10.421 3.882 ( 8.445 -3.240 3.899) 9.850 4.093 ( -11.786 -16.558 12.790) 24.013 4.195 ( -7.197 -9.783 6.346) 13.703 4.639 ( -8.919 -1.330 1.647) 9.167 4.955 ( 6.166 3.508 -11.754) 13.729 5.237 ( 3.558 -0.088 -8.423) 9.144 5.843 ( -6.571 -4.567 -16.441) 18.285 6.033 ( -3.248 -6.672 -8.451) 11.246 6.949 ( 0.124 -1.705 3.137) 3.572 7.531 ( -6.019 3.249 8.472) 10.888 7.644 ( -2.280 -3.777 -3.457) 5.605 8.070 ( -10.179 -3.307 -9.457) 14.282 8.401 ( 8.391 2.844 4.017) 9.728 8.969 ( 11.182 3.653 -1.196) 11.825 10.772 ( -5.692 0.302 0.510) 5.723 10.910 ( -7.122 2.250 3.436) 8.222 15.491 ( -2.107 -3.421 -6.969) 8.044 15.887 ( 4.397 -15.365 -12.107) 20.051 16.405 ( -0.934 10.190 8.777) 13.481 16.755 ( 5.144 0.995 3.207) 6.142 19.433 ( -7.633 -0.797 0.548) 7.694 20.301 ( 3.936 0.629 -0.554) 4.024 ======================= Grid point 352 (179/282) ======================= q-point: (-0.30 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -2.523 -4.001 2.694) 5.444 2.075 ( -1.823 -8.376 1.611) 8.722 2.184 ( -0.046 0.759 0.812) 1.113 2.314 ( 2.132 1.837 -1.619) 3.247 2.461 ( 2.855 1.973 0.103) 3.472 2.625 ( 5.486 4.850 -2.111) 7.620 2.978 ( -2.379 -8.420 -7.426) 11.477 3.461 ( 1.770 0.401 -6.881) 7.116 3.972 ( 2.129 0.313 3.151) 3.816 4.256 ( -1.185 -0.225 -3.897) 4.079 4.382 ( -5.126 -13.750 12.159) 19.057 4.684 ( -4.738 -7.409 7.115) 11.312 4.856 ( -2.401 0.090 -10.714) 10.981 5.199 ( 0.554 -0.230 -5.475) 5.508 5.763 ( -6.579 -1.333 -1.798) 6.949 6.118 ( -2.432 -12.744 -5.471) 14.080 6.963 ( -4.376 2.060 6.712) 8.273 7.418 ( -8.715 7.539 7.835) 13.935 7.765 ( 3.193 -14.069 -9.662) 17.363 7.973 ( -10.946 -4.751 -6.976) 13.822 8.450 ( 10.956 5.443 2.469) 12.480 8.971 ( 9.934 6.866 -3.228) 12.500 10.723 ( -9.124 -1.425 3.420) 9.848 10.828 ( -6.445 2.846 5.248) 8.785 15.510 ( -1.151 -5.300 -3.310) 6.354 16.118 ( 2.603 -11.331 -5.118) 12.703 16.268 ( -1.861 6.286 5.271) 8.412 16.784 ( 3.433 3.263 1.062) 4.854 19.385 ( -6.023 -0.985 0.727) 6.146 20.324 ( 2.736 0.392 0.127) 2.767 ======================= Grid point 353 (180/282) ======================= q-point: (-0.20 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -0.904 -4.983 4.745) 6.940 2.124 ( -2.529 2.049 1.880) 3.759 2.245 ( 0.061 -7.278 -1.568) 7.445 2.279 ( -2.080 1.327 1.040) 2.677 2.441 ( 1.369 3.091 0.280) 3.392 2.552 ( 3.449 6.484 -2.774) 7.851 3.099 ( 4.367 -13.326 -15.177) 20.664 3.432 ( 5.017 2.936 -5.289) 7.859 4.005 ( -3.130 -4.229 0.957) 5.348 4.128 ( 0.276 6.445 -10.138) 12.016 4.577 ( -0.251 -4.071 5.675) 6.988 4.728 ( -4.246 0.416 3.143) 5.299 4.862 ( -7.586 -10.260 -1.075) 12.805 5.226 ( 4.852 -0.629 2.231) 5.378 5.731 ( -7.676 -0.442 7.869) 11.002 6.325 ( -0.877 -15.162 1.178) 15.233 6.895 ( -6.860 5.044 7.327) 11.233 7.261 ( -10.041 5.916 8.309) 14.313 7.861 ( -2.826 -5.554 -14.887) 16.138 8.058 ( -0.964 -17.404 -3.546) 17.788 8.453 ( 11.467 8.950 1.127) 14.590 8.885 ( 8.163 10.041 -5.642) 14.117 10.695 ( -10.522 -2.989 5.675) 12.323 10.782 ( -4.209 1.794 8.157) 9.352 15.594 ( 2.661 -5.030 -0.425) 5.707 16.066 ( -7.834 7.050 11.025) 15.251 16.404 ( 5.987 -11.154 -7.456) 14.691 16.719 ( -0.942 5.477 -1.589) 5.780 19.367 ( -3.443 -1.377 1.836) 4.137 20.338 ( 1.278 0.467 0.076) 1.363 ======================= Grid point 354 (181/282) ======================= q-point: (-0.10 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -2.615 3.641 1.101) 4.616 2.122 ( -0.122 -3.539 3.767) 5.170 2.220 ( -3.333 1.076 -0.526) 3.542 2.325 ( -1.929 1.730 -0.922) 2.751 2.388 ( -3.034 -2.575 -3.793) 5.498 2.494 ( 5.771 3.070 -0.772) 6.583 3.256 ( 3.840 -12.543 -16.262) 20.893 3.351 ( 11.211 11.700 -6.709) 17.538 3.975 ( -9.412 -6.710 -13.064) 17.443 4.088 ( -0.743 -4.627 -1.816) 5.026 4.592 ( -3.259 -1.016 2.777) 4.400 4.789 ( 5.713 1.426 11.040) 12.512 4.889 ( -3.174 0.076 -1.436) 3.485 5.282 ( 2.866 4.616 8.979) 10.494 5.749 ( -3.188 -1.031 10.326) 10.855 6.547 ( -0.402 -6.504 2.250) 6.894 6.806 ( -6.142 -0.074 6.762) 9.136 7.189 ( -10.277 -2.460 8.733) 13.709 7.814 ( -3.723 -2.280 -7.947) 9.067 8.313 ( 0.808 -16.250 -9.018) 18.602 8.377 ( 9.441 12.354 0.672) 15.563 8.747 ( 8.031 9.716 -6.953) 14.395 10.703 ( -8.285 -3.724 6.857) 11.381 10.797 ( -2.400 0.273 10.166) 10.449 15.684 ( 6.622 1.003 0.562) 6.721 16.017 ( -8.646 -1.989 13.373) 16.048 16.486 ( 5.555 5.239 -9.878) 12.486 16.627 ( -5.102 -3.304 -1.106) 6.179 19.389 ( -0.807 -1.718 2.705) 3.304 20.331 ( -0.205 0.907 -0.357) 0.996 ======================= Grid point 360 (182/282) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -8.315 0.000 11.776) 14.416 2.009 ( -6.760 0.000 -2.942) 7.372 2.272 ( 4.936 -0.000 4.056) 6.389 2.298 ( 1.765 -0.000 -1.151) 2.107 2.382 ( 7.781 -0.000 -2.006) 8.035 2.677 ( 9.654 -0.000 -9.436) 13.499 3.057 ( -20.239 0.000 4.361) 20.704 3.460 ( -3.190 0.000 -9.563) 10.081 3.819 ( -12.884 0.000 4.134) 13.531 3.821 ( 18.449 -0.000 14.400) 23.403 3.986 ( -15.506 0.000 13.460) 20.533 4.654 ( -15.007 0.000 -2.900) 15.285 4.976 ( 9.913 -0.000 -6.863) 12.056 5.297 ( 14.050 -0.000 -12.985) 19.132 5.653 ( -3.965 0.000 -22.275) 22.625 5.968 ( -4.447 0.000 -9.768) 10.733 6.888 ( -0.927 0.000 -2.007) 2.211 7.530 ( -6.968 0.000 5.068) 8.616 7.670 ( -6.359 0.000 1.593) 6.555 8.012 ( -10.495 0.000 -5.641) 11.915 8.441 ( 8.375 -0.000 2.805) 8.833 9.025 ( 12.399 -0.000 -2.098) 12.576 10.776 ( -7.255 0.000 -1.143) 7.345 10.959 ( -4.392 0.000 3.437) 5.577 15.466 ( 8.123 -0.000 -11.033) 13.700 15.559 ( -4.065 0.000 -14.337) 14.902 16.623 ( 9.604 -0.000 9.433) 13.462 16.746 ( -2.988 0.000 3.291) 4.445 19.413 ( -8.755 0.000 1.199) 8.837 20.316 ( 4.709 -0.000 -2.027) 5.127 ======================= Grid point 361 (183/282) ======================= q-point: (-0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -7.624 -10.501 9.329) 15.982 1.928 ( -8.259 -1.193 -0.753) 8.379 2.256 ( 3.094 2.897 -1.510) 4.500 2.351 ( 5.022 -0.401 -1.550) 5.271 2.482 ( 7.234 -0.152 2.174) 7.555 2.690 ( 9.274 0.455 -11.265) 14.599 2.877 ( -18.197 -1.007 0.937) 18.249 3.403 ( -7.069 -2.806 -5.224) 9.227 3.801 ( -16.048 -9.088 10.921) 21.433 3.933 ( -15.211 -8.798 11.994) 21.275 4.073 ( 5.027 0.382 2.679) 5.709 4.542 ( -3.679 -1.380 2.446) 4.628 5.022 ( 9.232 0.463 -7.077) 11.642 5.285 ( 9.928 6.184 -12.570) 17.170 5.548 ( -2.762 -8.621 -18.359) 20.469 5.874 ( -6.172 -1.860 -6.478) 9.139 6.888 ( -3.928 -4.023 -0.087) 5.623 7.498 ( -5.313 -0.938 0.823) 5.457 7.593 ( -9.511 0.992 2.292) 9.833 7.884 ( -12.543 -0.909 -1.964) 12.728 8.543 ( 11.503 0.804 1.038) 11.578 9.107 ( 11.855 1.754 -4.077) 12.659 10.688 ( -11.353 -0.542 0.962) 11.406 10.929 ( -3.798 2.405 4.645) 6.464 15.406 ( 1.259 0.308 -8.732) 8.828 15.615 ( 6.242 -12.601 -12.873) 19.065 16.621 ( -0.998 9.579 7.178) 12.012 16.812 ( 3.535 -1.944 3.848) 5.575 19.345 ( -8.223 -0.952 1.124) 8.354 20.341 ( 3.947 0.396 -1.791) 4.352 ======================= Grid point 362 (184/282) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -7.978 -9.861 4.058) 13.317 1.921 ( -6.334 -7.213 1.885) 9.783 2.233 ( 2.222 3.029 0.618) 3.807 2.374 ( 3.847 1.261 -2.174) 4.595 2.526 ( 5.167 1.977 0.355) 5.544 2.691 ( 6.444 -0.619 -11.547) 13.238 2.801 ( -8.988 -3.323 2.946) 10.026 3.330 ( -9.094 -3.374 -3.663) 10.368 3.917 ( -14.180 -4.828 1.832) 15.090 4.013 ( -18.546 -15.608 5.110) 24.773 4.114 ( -8.926 -13.769 9.785) 19.105 4.650 ( 9.495 -1.558 0.954) 9.669 4.985 ( 10.459 11.625 -9.573) 18.336 5.181 ( 3.965 0.248 -6.611) 7.713 5.609 ( -0.984 -8.677 -7.633) 11.599 5.857 ( -6.543 -8.839 -2.566) 11.293 6.925 ( -7.430 -4.538 2.959) 9.196 7.440 ( -9.475 2.140 0.913) 9.756 7.551 ( -1.736 -6.134 -4.307) 7.693 7.786 ( -12.472 -1.773 2.489) 12.841 8.638 ( 12.673 2.366 -0.094) 12.892 9.129 ( 9.942 4.343 -6.044) 12.419 10.604 ( -13.211 -2.073 3.669) 13.867 10.874 ( -4.368 3.770 6.503) 8.693 15.418 ( 3.085 -4.053 -3.013) 5.917 15.849 ( 7.522 -16.902 -11.506) 21.786 16.464 ( -3.953 12.052 7.898) 14.942 16.848 ( 0.515 1.813 -0.453) 1.938 19.311 ( -6.272 -1.781 2.564) 7.006 20.355 ( 2.765 0.434 -1.498) 3.175 ======================= Grid point 363 (185/282) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -9.192 -8.551 2.640) 12.829 2.039 ( -4.817 -10.943 0.023) 11.956 2.193 ( -0.858 4.077 2.646) 4.936 2.362 ( 3.463 2.902 -0.928) 4.613 2.520 ( 2.354 4.545 0.175) 5.121 2.658 ( 3.789 3.453 -4.704) 6.957 2.850 ( 1.754 -8.945 -8.310) 12.334 3.341 ( -5.566 -8.399 -1.972) 10.267 3.763 ( -20.531 -4.583 -5.860) 21.837 4.189 ( 0.906 -6.788 2.524) 7.299 4.385 ( -13.411 -18.205 14.066) 26.629 4.592 ( -0.971 5.339 -15.482) 16.406 4.899 ( 9.649 3.831 2.170) 10.606 5.266 ( 6.951 -3.378 2.783) 8.214 5.662 ( -5.187 -4.522 2.463) 7.309 6.030 ( -2.943 -17.520 -0.986) 17.793 6.903 ( -10.924 -0.143 4.525) 11.825 7.294 ( -9.431 4.963 2.331) 10.909 7.661 ( 1.524 -8.534 -8.836) 12.378 7.773 ( -8.762 -9.139 4.343) 13.384 8.692 ( 12.525 5.446 -1.184) 13.709 9.065 ( 7.539 7.717 -7.853) 13.344 10.567 ( -12.351 -4.121 6.636) 14.614 10.826 ( -4.801 2.359 8.443) 9.995 15.547 ( 6.316 -6.016 1.983) 8.945 16.104 ( 3.003 -10.466 -5.114) 12.029 16.300 ( -2.133 5.689 5.058) 7.905 16.760 ( -3.954 4.342 -4.710) 7.528 19.318 ( -3.750 -2.192 3.760) 5.745 20.359 ( 1.552 0.551 -1.092) 1.976 ======================= Grid point 364 (186/282) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -9.351 -7.807 0.737) 12.204 2.128 ( -6.481 0.500 2.862) 7.102 2.165 ( -0.515 -7.500 -2.760) 8.009 2.331 ( 2.950 5.548 2.818) 6.886 2.413 ( -0.905 6.199 -4.507) 7.718 2.617 ( 6.066 4.803 -1.142) 7.822 2.994 ( 6.770 -11.709 -14.959) 20.167 3.421 ( -5.418 -8.785 -5.107) 11.516 3.638 ( -11.015 -3.963 -7.854) 14.096 4.141 ( 6.577 12.585 -10.669) 17.761 4.477 ( -7.210 -9.742 5.218) 13.195 4.690 ( -9.173 -14.828 7.842) 19.118 4.966 ( 7.419 0.633 3.311) 8.149 5.407 ( 4.159 -0.829 8.838) 9.803 5.734 ( -2.855 -5.056 8.653) 10.421 6.303 ( -2.630 -18.625 -2.132) 18.930 6.800 ( -10.245 2.212 2.175) 10.704 7.157 ( -8.608 3.919 5.877) 11.135 7.704 ( -3.564 -3.381 1.998) 5.303 7.971 ( -0.736 -17.472 -6.587) 18.687 8.662 ( 9.577 10.649 -1.830) 14.438 8.932 ( 7.304 9.023 -8.845) 14.595 10.594 ( -9.678 -5.369 8.515) 13.964 10.829 ( -4.009 -0.445 9.590) 10.404 15.740 ( 9.510 -4.872 3.989) 11.405 16.061 ( -8.038 6.325 10.624) 14.747 16.417 ( 4.919 -10.264 -6.463) 13.088 16.585 ( -6.494 5.579 -6.856) 10.969 19.357 ( -1.571 -2.644 3.289) 4.503 20.349 ( 0.352 1.210 -0.493) 1.354 ======================= Grid point 371 (187/282) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -10.338 0.000 10.004) 14.386 1.819 ( -11.937 0.000 1.511) 12.032 2.293 ( 6.257 -0.000 -5.646) 8.428 2.359 ( -3.844 0.000 -1.186) 4.023 2.588 ( 9.647 -0.000 0.827) 9.682 2.692 ( -11.111 0.000 -0.177) 11.113 2.696 ( 7.717 -0.000 -11.847) 14.139 3.290 ( -12.224 0.000 5.629) 13.457 3.661 ( -14.254 0.000 8.843) 16.774 3.694 ( -28.857 0.000 12.821) 31.577 4.022 ( -13.368 0.000 -6.351) 14.800 4.629 ( 13.459 -0.000 6.442) 14.921 5.055 ( 7.429 -0.000 -5.180) 9.056 5.304 ( -2.487 0.000 -17.863) 18.036 5.404 ( 12.955 -0.000 -9.539) 16.088 5.764 ( -5.898 0.000 -4.635) 7.501 6.780 ( -8.793 0.000 -0.972) 8.847 7.441 ( -3.217 0.000 -3.689) 4.895 7.504 ( -12.281 0.000 1.856) 12.421 7.773 ( -13.888 0.000 7.256) 15.669 8.663 ( 12.208 -0.000 -0.608) 12.223 9.194 ( 10.931 -0.000 -6.900) 12.927 10.571 ( -14.152 0.000 2.738) 14.415 10.959 ( -2.721 0.000 6.378) 6.934 15.393 ( 3.795 -0.000 -8.706) 9.497 15.471 ( 8.154 -0.000 -11.116) 13.786 16.738 ( -2.682 0.000 3.516) 4.422 16.837 ( 1.926 -0.000 3.971) 4.414 19.275 ( -7.007 0.000 2.662) 7.496 20.362 ( 3.013 -0.000 -2.623) 3.994 ======================= Grid point 372 (188/282) ======================= q-point: (-0.30 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -12.789 -9.574 6.122) 17.108 1.743 ( -13.602 -4.363 2.939) 14.584 2.298 ( -6.570 -2.899 0.190) 7.183 2.323 ( 5.607 -0.167 -5.931) 8.164 2.598 ( 4.928 1.179 -13.006) 13.958 2.667 ( 5.841 2.748 4.657) 7.959 2.740 ( 0.384 -3.226 0.811) 3.348 3.210 ( -15.256 0.793 7.673) 17.095 3.577 ( -27.487 -13.384 9.709) 32.077 3.670 ( -17.935 -6.530 5.047) 19.743 3.874 ( -13.528 -7.306 0.223) 15.376 4.783 ( 12.577 1.425 1.334) 12.728 5.118 ( 7.679 -2.239 -2.460) 8.368 5.183 ( 3.078 2.406 -15.812) 16.287 5.460 ( 7.203 -2.595 -6.437) 10.003 5.693 ( -7.180 -1.675 -0.691) 7.405 6.733 ( -12.334 -6.648 -0.400) 14.017 7.380 ( -4.227 0.782 -3.662) 5.647 7.425 ( -7.308 -3.029 -0.614) 7.934 7.709 ( -13.286 0.310 12.600) 18.314 8.767 ( 11.673 0.271 -1.732) 11.804 9.220 ( 8.923 1.985 -8.749) 12.653 10.469 ( -14.707 -1.508 5.150) 15.656 10.951 ( -3.186 3.647 7.956) 9.314 15.404 ( 7.602 -1.502 -2.185) 8.051 15.594 ( 8.418 -12.463 -12.098) 19.302 16.656 ( -3.094 8.854 5.524) 10.884 16.842 ( -3.362 0.530 -3.397) 4.809 19.257 ( -4.721 -1.291 5.372) 7.268 20.366 ( 1.964 0.016 -2.898) 3.501 ======================= Grid point 373 (189/282) ======================= q-point: (-0.20 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -14.765 -10.120 4.858) 18.548 1.765 ( -12.551 -11.876 0.969) 17.306 2.307 ( 2.559 4.698 3.621) 6.460 2.333 ( -1.279 -4.935 -5.625) 7.592 2.571 ( 3.445 -4.598 -12.285) 13.562 2.641 ( 3.257 5.763 -3.946) 7.706 2.831 ( 0.178 -0.321 11.743) 11.749 3.134 ( -10.087 -4.610 0.894) 11.126 3.459 ( -20.830 -3.878 -3.488) 21.473 3.852 ( -16.650 -24.720 13.825) 32.855 4.030 ( -11.671 -17.676 8.795) 22.935 4.772 ( 11.205 12.808 -10.368) 19.927 5.039 ( 5.638 5.908 -7.209) 10.893 5.281 ( 7.845 -6.144 3.048) 10.420 5.534 ( -0.685 -6.233 -3.143) 7.014 5.731 ( -6.812 -11.467 1.824) 13.462 6.721 ( -15.141 -7.192 -0.783) 16.781 7.302 ( -3.707 2.690 1.000) 4.688 7.471 ( -0.704 -8.992 -3.863) 9.812 7.678 ( -11.427 -0.293 13.340) 17.568 8.845 ( 10.932 1.545 -3.251) 11.509 9.174 ( 6.315 4.909 -9.656) 12.539 10.425 ( -13.013 -4.101 7.833) 15.732 10.896 ( -5.055 4.695 9.406) 11.665 15.557 ( 10.803 -4.782 4.031) 12.483 15.846 ( 8.369 -17.161 -11.520) 22.300 16.484 ( -4.662 12.162 7.158) 14.863 16.713 ( -8.220 2.428 -8.823) 12.300 19.290 ( -2.723 -1.548 6.745) 7.437 20.364 ( 1.291 -0.147 -2.439) 2.763 ======================= Grid point 374 (190/282) ======================= q-point: (-0.10 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -13.217 -10.350 3.984) 17.253 1.863 ( -13.397 -12.082 1.435) 18.097 2.255 ( 4.111 5.352 1.832) 6.993 2.364 ( -0.296 -2.131 -2.598) 3.373 2.510 ( 1.684 7.362 -6.244) 9.799 2.661 ( 6.382 -7.302 -8.524) 12.911 2.875 ( 4.695 0.682 0.128) 4.746 3.103 ( -13.771 -5.319 -6.699) 16.211 3.449 ( -7.564 -10.535 5.686) 14.161 4.212 ( -8.930 -19.704 11.382) 24.445 4.298 ( -14.713 -19.738 12.511) 27.615 4.468 ( 12.854 19.600 -19.478) 30.476 5.026 ( 3.106 -0.682 0.791) 3.277 5.457 ( 0.637 -3.429 9.170) 9.811 5.662 ( 2.242 -8.327 5.646) 10.307 5.923 ( -5.137 -18.520 -4.500) 19.739 6.669 ( -13.090 -4.639 -1.866) 14.012 7.225 ( -4.621 5.627 7.225) 10.258 7.632 ( 1.380 -9.927 -1.578) 10.146 7.696 ( -7.571 -6.067 7.297) 12.140 8.865 ( 9.171 5.421 -4.492) 11.561 9.055 ( 4.931 7.084 -10.316) 13.451 10.463 ( -10.148 -6.361 9.906) 15.542 10.853 ( -6.052 1.572 10.354) 12.096 15.788 ( 11.994 -5.152 5.929) 14.337 16.095 ( 2.441 -8.145 -3.601) 9.234 16.316 ( -2.995 3.867 3.155) 5.821 16.521 ( -8.919 2.423 -9.416) 13.194 19.334 ( -1.757 -1.384 5.335) 5.785 20.361 ( 0.757 0.251 -1.391) 1.603 ======================= Grid point 382 (191/282) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -18.234 0.000 5.968) 19.186 1.575 ( -19.114 0.000 4.787) 19.705 2.142 ( -10.523 0.000 3.082) 10.966 2.406 ( 11.018 -0.000 -2.683) 11.340 2.562 ( -0.772 0.000 -12.567) 12.591 2.717 ( 3.228 -0.000 3.164) 4.520 2.792 ( 7.047 -0.000 -0.822) 7.095 3.136 ( -19.737 0.000 17.301) 26.246 3.247 ( -28.186 0.000 7.456) 29.155 3.502 ( -16.321 0.000 10.786) 19.563 3.647 ( -14.906 0.000 -3.430) 15.296 4.908 ( 9.031 -0.000 0.534) 9.047 5.077 ( 5.818 -0.000 -12.703) 13.972 5.176 ( 2.686 -0.000 1.973) 3.333 5.480 ( 4.361 -0.000 -6.362) 7.713 5.645 ( -0.936 0.000 -2.857) 3.006 6.530 ( -15.628 0.000 -0.293) 15.631 7.301 ( -9.954 0.000 0.455) 9.964 7.354 ( 0.003 -0.000 -2.542) 2.542 7.688 ( -12.814 0.000 15.923) 20.439 8.855 ( 9.766 -0.000 -2.648) 10.119 9.250 ( 7.376 -0.000 -9.830) 12.290 10.356 ( -14.396 0.000 6.980) 15.999 11.019 ( -1.821 0.000 8.360) 8.556 15.475 ( 8.104 -0.000 -11.222) 13.843 15.486 ( 11.853 -0.000 0.687) 11.873 16.740 ( -2.393 0.000 3.847) 4.531 16.751 ( -8.298 0.000 -8.816) 12.107 19.258 ( -2.563 0.000 8.441) 8.822 20.358 ( 1.255 -0.000 -3.501) 3.720 ======================= Grid point 383 (192/282) ======================= q-point: (-0.20 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -18.062 -11.381 7.335) 22.573 1.465 ( -20.639 -6.862 5.365) 22.401 2.155 ( -7.056 -6.474 3.779) 10.295 2.437 ( -7.024 3.096 2.768) 8.160 2.475 ( 10.316 0.009 -7.929) 13.011 2.727 ( 0.976 4.928 -4.345) 6.642 2.883 ( 4.183 -4.839 6.741) 9.293 3.032 ( -11.436 1.452 4.657) 12.433 3.189 ( -18.928 -7.772 8.064) 21.993 3.446 ( -18.146 -10.404 11.500) 23.870 3.689 ( -11.506 -16.525 7.055) 21.336 4.959 ( 7.199 2.768 -0.676) 7.743 5.084 ( 4.893 0.752 -11.484) 12.505 5.256 ( 6.675 -5.373 2.170) 8.839 5.460 ( 0.665 -0.156 -5.753) 5.794 5.599 ( -4.130 0.698 3.563) 5.499 6.441 ( -15.494 -6.507 -0.350) 16.809 7.271 ( -5.338 -5.572 0.488) 7.732 7.352 ( 0.135 -0.248 0.568) 0.634 7.672 ( -11.874 0.486 15.257) 19.339 8.919 ( 8.216 -0.148 -4.134) 9.198 9.225 ( 5.390 2.591 -9.625) 11.332 10.302 ( -12.256 -2.649 9.018) 15.445 11.006 ( -3.309 5.515 8.444) 10.615 15.589 ( 8.901 -12.821 -11.262) 19.247 15.657 ( 15.047 -2.302 5.260) 16.105 16.558 ( -13.177 1.295 -14.160) 19.385 16.670 ( -3.165 8.211 5.422) 10.336 19.309 ( -1.392 -0.473 9.221) 9.338 20.350 ( 1.143 -0.475 -3.137) 3.372 ======================= Grid point 384 (193/282) ======================= q-point: (-0.10 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -15.776 -11.383 8.893) 21.390 1.541 ( -13.518 -14.536 7.305) 21.152 2.216 ( -6.065 -7.215 2.919) 9.867 2.406 ( -0.239 1.622 5.396) 5.639 2.523 ( 7.055 -2.486 -7.838) 10.835 2.599 ( 2.556 5.288 -7.930) 9.868 2.957 ( -4.600 0.954 -2.805) 5.471 2.966 ( -0.505 2.443 3.915) 4.642 3.235 ( -7.848 -11.384 7.822) 15.886 3.749 ( -17.386 -29.063 20.101) 39.383 3.948 ( -8.340 -18.202 7.974) 21.551 4.817 ( 11.143 20.145 -19.263) 30.018 5.034 ( 1.318 -1.498 2.057) 2.866 5.441 ( -4.008 -1.672 7.494) 8.662 5.552 ( 7.247 -17.352 -3.380) 19.106 5.630 ( -5.066 -5.160 6.720) 9.872 6.423 ( -11.811 -7.443 -0.729) 13.979 7.320 ( -2.172 2.596 8.043) 8.726 7.421 ( 0.829 -11.280 -3.626) 11.877 7.659 ( -10.127 -0.555 12.777) 16.313 8.953 ( 7.277 0.876 -6.582) 9.851 9.134 ( 3.510 5.801 -9.250) 11.469 10.337 ( -9.303 -5.704 10.909) 15.430 10.919 ( -6.707 5.488 9.996) 13.229 15.825 ( 9.568 -11.840 -9.617) 18.006 15.930 ( 13.967 -8.139 4.720) 16.840 16.303 ( -13.692 1.392 -11.565) 17.977 16.517 ( -4.482 9.801 6.243) 12.455 19.352 ( -1.818 0.256 7.106) 7.339 20.353 ( 1.125 -0.678 -2.235) 2.592 ======================= Grid point 393 (194/282) ======================= q-point: (-0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -18.013 0.000 14.057) 22.849 1.249 ( -22.109 0.000 11.181) 24.775 2.091 ( -5.753 0.000 9.370) 10.995 2.353 ( -11.698 0.000 6.123) 13.203 2.600 ( 7.827 -0.000 0.882) 7.877 2.758 ( -2.958 0.000 0.834) 3.073 2.823 ( 1.416 -0.000 -7.214) 7.352 2.988 ( -2.873 0.000 -0.176) 2.878 3.064 ( -15.819 0.000 24.065) 28.799 3.349 ( -16.901 0.000 14.189) 22.068 3.413 ( -8.407 0.000 1.560) 8.550 5.010 ( 0.825 -0.000 0.964) 1.269 5.072 ( 7.523 -0.000 -6.789) 10.133 5.287 ( 0.762 -0.000 5.546) 5.598 5.394 ( -3.673 0.000 -5.227) 6.388 5.662 ( 6.544 -0.000 -1.354) 6.683 6.264 ( -11.495 0.000 4.243) 12.253 7.147 ( -6.330 0.000 -0.239) 6.335 7.378 ( 0.236 -0.000 4.554) 4.560 7.662 ( -11.611 0.000 13.584) 17.871 8.952 ( 5.718 -0.000 -4.896) 7.528 9.231 ( 4.285 -0.000 -9.051) 10.014 10.240 ( -9.809 0.000 10.703) 14.518 11.084 ( -2.220 0.000 5.214) 5.667 15.476 ( 7.988 -0.000 -11.327) 13.860 15.845 ( 18.092 -0.000 7.208) 19.475 16.318 ( -16.017 0.000 -15.972) 22.620 16.750 ( -2.238 0.000 4.148) 4.714 19.359 ( -1.401 0.000 9.097) 9.205 20.336 ( 1.411 -0.000 -3.068) 3.377 ======================= Grid point 394 (195/282) ======================= q-point: (-0.10 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -10.690 -9.882 16.901) 22.306 1.262 ( -11.795 -11.475 16.332) 23.185 2.121 ( -6.088 -2.449 11.326) 13.090 2.361 ( -7.210 -4.176 11.168) 13.933 2.615 ( 8.647 4.876 -4.290) 10.815 2.646 ( 0.590 4.081 -7.977) 8.980 2.920 ( -6.502 -8.324 4.491) 11.477 2.981 ( 1.440 1.339 0.092) 1.968 3.089 ( -5.360 -0.373 9.233) 10.682 3.346 ( -15.422 -15.272 22.054) 30.943 3.608 ( -7.853 -19.542 6.788) 22.128 4.992 ( -1.318 4.527 -5.680) 7.382 5.059 ( 3.371 4.066 -3.252) 6.203 5.334 ( 2.011 -8.362 -3.821) 9.411 5.425 ( -3.054 -6.476 4.834) 8.639 5.660 ( 5.247 5.675 2.910) 8.259 6.269 ( -4.042 -3.500 8.123) 9.725 7.194 ( -2.323 -10.789 -1.110) 11.092 7.406 ( -1.183 1.257 7.629) 7.822 7.640 ( -10.141 0.095 11.345) 15.217 8.963 ( 4.205 -0.332 -6.972) 8.149 9.180 ( 3.059 3.107 -8.895) 9.907 10.265 ( -6.827 -2.997 12.576) 14.620 11.021 ( -5.839 6.329 5.899) 10.438 15.589 ( 8.571 -12.678 -12.617) 19.834 15.962 ( -6.712 -0.613 -12.072) 13.826 16.189 ( 9.800 -1.461 5.637) 11.400 16.684 ( -3.201 8.215 5.597) 10.443 19.387 ( -3.273 0.561 6.773) 7.543 20.337 ( 1.604 -0.677 -2.664) 3.182 ======================= Grid point 404 (196/282) ======================= q-point: (-0.10 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -5.127 0.000 21.939) 22.530 1.245 ( -2.213 0.000 21.823) 21.935 2.132 ( -3.820 0.000 9.665) 10.393 2.362 ( -6.770 0.000 19.285) 20.438 2.630 ( 1.000 -0.000 -12.177) 12.218 2.673 ( -8.903 0.000 5.661) 10.550 2.794 ( 7.339 -0.000 -3.284) 8.040 3.065 ( 6.106 -0.000 4.011) 7.305 3.155 ( -6.018 0.000 17.690) 18.686 3.272 ( -13.948 0.000 19.704) 24.141 3.341 ( -3.869 0.000 6.717) 7.752 4.966 ( -3.935 0.000 -2.489) 4.656 5.123 ( -0.827 0.000 0.053) 0.829 5.282 ( 1.225 -0.000 -4.563) 4.725 5.287 ( -2.012 0.000 0.183) 2.020 5.807 ( 7.965 -0.000 -3.385) 8.655 6.334 ( 3.841 -0.000 16.014) 16.468 7.059 ( -3.090 0.000 0.983) 3.243 7.459 ( -1.899 0.000 9.397) 9.587 7.627 ( -7.519 0.000 9.702) 12.275 8.937 ( 1.763 -0.000 -7.966) 8.159 9.171 ( 2.977 -0.000 -9.372) 9.833 10.281 ( -4.097 0.000 14.299) 14.874 11.048 ( -6.822 0.000 2.854) 7.395 15.473 ( 7.863 -0.000 -11.405) 13.852 15.745 ( -11.670 0.000 -14.728) 18.792 16.393 ( 18.265 -0.000 8.511) 20.151 16.765 ( -2.258 0.000 4.306) 4.862 19.385 ( -6.558 0.000 5.176) 8.355 20.330 ( 2.140 -0.000 -2.631) 3.391 ======================= Grid point 405 (197/282) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 0.273 -0.000 12.398) 12.401 1.735 ( 5.435 -0.000 1.303) 5.589 2.168 ( -0.884 0.000 -4.601) 4.685 2.266 ( 1.504 -0.000 -6.978) 7.138 2.375 ( -3.965 0.000 0.002) 3.965 2.695 ( 2.326 -0.000 -6.805) 7.191 2.935 ( -4.368 0.000 17.518) 18.055 3.392 ( -0.061 0.000 0.326) 0.331 3.753 ( -1.651 0.000 11.926) 12.040 3.856 ( 7.265 -0.000 15.660) 17.263 4.032 ( 6.326 -0.000 32.706) 33.312 4.584 ( -10.719 0.000 -11.728) 15.888 4.952 ( -10.328 0.000 -0.669) 10.350 5.178 ( 3.917 -0.000 -15.501) 15.988 5.290 ( 10.827 -0.000 -2.011) 11.012 5.669 ( -0.942 0.000 -1.628) 1.881 6.717 ( 2.884 -0.000 -1.582) 3.289 7.507 ( 4.649 -0.000 22.400) 22.877 7.760 ( 1.159 -0.000 4.523) 4.669 7.846 ( -5.951 0.000 12.663) 13.992 8.525 ( -2.855 0.000 -15.342) 15.605 8.885 ( 4.956 -0.000 -11.245) 12.289 10.729 ( -0.162 0.000 12.721) 12.722 11.003 ( -3.937 0.000 -0.396) 3.957 15.284 ( 4.408 -0.000 -6.515) 7.866 15.293 ( 0.252 -0.000 -6.085) 6.090 16.804 ( 4.649 -0.000 2.005) 5.063 16.841 ( -1.060 0.000 2.019) 2.280 19.378 ( -5.013 0.000 3.404) 6.059 20.296 ( 2.053 -0.000 -2.223) 3.026 ======================= Grid point 406 (198/282) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 6.103 -1.785 -3.098) 7.073 1.833 ( -1.379 -5.563 8.666) 10.390 2.112 ( -0.707 0.987 -4.061) 4.239 2.285 ( 2.595 -4.195 -4.029) 6.369 2.346 ( -3.206 0.405 1.923) 3.761 2.628 ( 0.487 3.000 -5.889) 6.627 3.111 ( -4.293 -6.746 17.136) 18.910 3.480 ( 5.045 -9.926 -1.552) 11.242 3.764 ( 1.300 5.698 8.347) 10.190 4.056 ( 3.653 -5.199 9.382) 11.331 4.310 ( -2.126 -1.979 14.966) 15.245 4.425 ( -1.085 -2.073 -0.524) 2.398 4.873 ( -6.477 0.473 0.304) 6.502 5.051 ( 0.107 2.567 -15.641) 15.850 5.438 ( 11.210 -6.218 -3.706) 13.344 5.717 ( 4.956 -5.115 0.407) 7.134 6.826 ( 1.999 -10.831 -2.515) 11.297 7.657 ( 3.457 3.724 17.951) 18.656 7.819 ( 3.732 -1.113 2.111) 4.430 7.854 ( -6.532 1.682 11.510) 13.340 8.396 ( -3.590 -0.593 -13.006) 13.505 8.838 ( 5.353 2.701 -10.951) 12.485 10.816 ( 0.225 -0.524 11.426) 11.440 10.955 ( -2.937 1.119 -0.931) 3.278 15.289 ( 3.521 -2.455 -3.023) 5.250 15.385 ( 5.683 -10.120 -7.276) 13.698 16.785 ( -2.566 5.788 2.367) 6.759 16.828 ( -0.809 0.321 -0.432) 0.972 19.385 ( -1.217 -1.125 4.417) 4.718 20.296 ( 0.762 -0.235 -2.490) 2.614 ======================= Grid point 407 (199/282) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 1.915 -2.299 -4.679) 5.554 1.970 ( -1.664 -7.466 3.124) 8.263 2.113 ( 2.754 -1.296 0.923) 3.181 2.311 ( -2.548 1.681 2.532) 3.966 2.372 ( 1.501 -5.537 -4.232) 7.129 2.543 ( -0.280 2.704 -5.559) 6.188 3.188 ( -5.306 4.150 15.511) 16.911 3.644 ( 0.196 11.737 -3.447) 12.234 3.795 ( 7.783 -17.417 -4.781) 19.667 4.129 ( -7.782 -3.885 -10.612) 13.721 4.315 ( -6.046 -10.176 5.247) 12.947 4.671 ( 11.735 -3.120 14.579) 18.973 4.742 ( 2.606 7.593 -5.042) 9.480 5.042 ( -3.572 -8.464 3.936) 9.995 5.622 ( 10.568 -5.742 -3.216) 12.450 5.939 ( 8.881 -13.213 -1.399) 15.982 7.008 ( -2.363 -11.375 -3.683) 12.187 7.716 ( 1.539 3.479 13.444) 13.972 7.750 ( -5.738 6.707 0.388) 8.835 7.921 ( 3.304 -3.343 0.819) 4.771 8.339 ( -0.918 -2.008 -2.238) 3.143 8.746 ( 4.644 5.724 -9.909) 12.350 10.898 ( -1.240 -0.337 4.627) 4.802 10.908 ( -0.326 0.852 3.820) 3.928 15.390 ( 6.160 -5.126 0.181) 8.016 15.610 ( 5.852 -15.746 -6.911) 18.164 16.647 ( -3.864 9.121 3.710) 10.577 16.780 ( -5.171 0.648 -2.679) 5.860 19.438 ( 1.783 -0.849 4.243) 4.681 20.286 ( -0.660 -0.563 -2.193) 2.358 ======================= Grid point 408 (200/282) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.393 -4.394 -2.639) 5.141 2.095 ( -0.797 -8.028 0.815) 8.108 2.182 ( 3.088 -0.908 2.362) 3.993 2.255 ( -3.136 3.159 0.616) 4.494 2.422 ( -0.358 -1.011 -3.561) 3.719 2.461 ( -0.729 0.558 -5.060) 5.142 3.160 ( -2.065 4.440 12.116) 13.068 3.342 ( -6.242 12.344 -12.615) 18.721 3.921 ( -3.909 5.787 -18.991) 20.234 4.017 ( 0.553 -5.277 -9.324) 10.728 4.570 ( -0.446 -16.616 4.954) 17.345 4.683 ( 7.543 0.735 0.557) 7.600 4.938 ( 8.025 -3.979 12.940) 15.737 5.241 ( -1.398 -11.063 11.446) 15.980 5.783 ( 8.668 -4.817 -1.355) 10.008 6.246 ( 8.286 -14.199 -2.845) 16.684 7.016 ( -8.098 0.359 -9.597) 12.562 7.546 ( -7.143 8.712 1.005) 11.311 7.815 ( 2.523 -3.518 8.838) 9.841 8.002 ( 0.312 -4.619 -1.395) 4.835 8.405 ( 5.261 -3.073 1.564) 6.290 8.603 ( 2.864 8.793 -7.149) 11.689 10.860 ( -2.387 0.786 -0.239) 2.524 10.976 ( 0.991 -0.207 7.527) 7.595 15.564 ( 8.045 -6.047 2.805) 10.448 15.894 ( 4.705 -16.733 -5.587) 18.258 16.481 ( -4.013 9.576 5.152) 11.591 16.679 ( -7.794 1.074 -4.141) 8.890 19.483 ( 2.509 1.069 2.364) 3.609 20.280 ( -1.418 -1.388 -0.827) 2.149 ======================= Grid point 409 (201/282) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -0.849 -4.675 -1.193) 4.899 2.129 ( -1.836 3.419 -4.205) 5.722 2.230 ( 0.719 0.997 1.794) 2.175 2.245 ( 0.044 -6.418 2.799) 7.002 2.331 ( -4.110 3.292 -1.586) 5.499 2.490 ( 2.666 -3.533 -1.276) 4.606 2.996 ( -6.706 8.095 -15.629) 18.835 3.215 ( 2.905 -2.668 5.385) 6.675 3.562 ( -3.073 14.067 -22.115) 26.389 4.017 ( -0.226 -0.379 -4.624) 4.645 4.721 ( 1.337 -1.322 1.663) 2.511 4.862 ( 2.567 -7.815 4.051) 9.170 5.115 ( 4.891 -0.941 8.143) 9.545 5.510 ( 1.000 -10.358 14.039) 17.475 5.929 ( 5.950 -3.878 1.961) 7.368 6.469 ( 4.282 -6.449 -5.648) 9.583 6.762 ( -9.722 6.857 -12.366) 17.159 7.370 ( -7.128 7.227 6.491) 12.049 7.945 ( 0.238 -0.744 10.146) 10.176 8.071 ( 0.029 -6.490 -7.609) 10.001 8.439 ( 1.780 7.799 -0.726) 8.033 8.535 ( 7.794 -4.793 -3.802) 9.909 10.827 ( -2.927 1.007 1.951) 3.659 11.024 ( 0.126 0.710 6.005) 6.048 15.765 ( 8.705 -5.368 4.356) 11.116 16.140 ( 2.012 -12.371 -5.210) 13.573 16.340 ( -3.337 7.616 6.883) 10.794 16.550 ( -7.755 1.697 -4.622) 9.186 19.477 ( 1.445 2.805 0.311) 3.170 20.297 ( -1.134 -2.081 0.600) 2.445 ======================= Grid point 410 (202/282) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -4.118 2.083 -0.661) 4.662 2.090 ( 3.514 -0.691 -6.137) 7.105 2.172 ( -8.184 1.612 4.634) 9.542 2.276 ( -0.078 0.931 1.222) 1.538 2.329 ( 0.142 -2.151 -0.036) 2.156 2.622 ( 5.548 -5.731 3.293) 8.629 2.784 ( -0.425 0.734 -11.388) 11.420 3.142 ( -1.799 16.167 -18.945) 24.971 3.380 ( 7.431 -10.727 -4.466) 13.792 3.970 ( -3.253 2.766 0.554) 4.306 4.711 ( -1.650 4.234 3.051) 5.474 4.945 ( -1.078 1.954 4.014) 4.593 5.179 ( 1.625 1.506 4.889) 5.367 5.740 ( -1.089 -3.988 14.368) 14.951 6.023 ( 4.904 2.126 4.676) 7.101 6.303 ( -6.029 11.586 -13.529) 18.805 6.649 ( -2.804 -1.616 -2.521) 4.103 7.286 ( -5.017 1.152 8.755) 10.156 7.976 ( 0.265 5.494 6.157) 8.256 8.008 ( -2.779 5.766 -1.965) 6.695 8.465 ( 2.107 -8.247 -1.460) 8.636 8.647 ( 7.431 -4.693 -8.727) 12.386 10.790 ( -3.725 2.527 4.560) 6.407 11.037 ( -1.803 1.287 5.464) 5.896 15.946 ( 8.091 -2.674 3.611) 9.255 16.193 ( -4.574 0.581 -2.508) 5.248 16.312 ( -2.745 -2.017 4.365) 5.537 16.431 ( -1.846 3.293 -3.345) 5.044 19.440 ( 0.053 2.223 0.328) 2.247 20.326 ( -0.404 -1.513 0.552) 1.660 ======================= Grid point 411 (203/282) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -2.317 5.396 4.698) 7.521 1.990 ( -5.578 5.038 2.597) 7.952 2.216 ( -1.437 -5.423 0.717) 5.656 2.285 ( 2.970 -0.099 -0.522) 3.017 2.362 ( 1.619 -2.279 -0.706) 2.883 2.720 ( 12.989 14.891 -13.045) 23.678 2.746 ( -0.286 -3.832 -4.337) 5.794 2.892 ( -2.554 -6.476 5.442) 8.836 3.639 ( 10.951 -15.091 -9.493) 20.923 3.856 ( -7.107 5.278 0.626) 8.874 4.599 ( -5.058 9.013 6.438) 12.176 4.832 ( -4.061 13.220 6.717) 15.375 5.191 ( 1.077 1.812 3.797) 4.343 5.746 ( -11.005 5.388 8.572) 14.954 5.941 ( -10.486 10.287 -2.411) 14.886 6.090 ( 14.025 8.443 3.909) 16.831 6.582 ( -3.677 3.772 -1.529) 5.486 7.358 ( -2.139 -5.326 9.896) 11.440 7.789 ( 1.365 12.402 -2.046) 12.644 7.965 ( -6.636 3.872 10.888) 13.326 8.628 ( 3.234 -10.157 -6.597) 12.535 8.716 ( 5.270 -4.917 -11.051) 13.194 10.729 ( -4.233 4.801 6.702) 9.268 11.030 ( -4.030 0.531 5.701) 7.001 15.979 ( -1.216 4.084 -4.626) 6.289 16.113 ( -2.333 3.691 -2.448) 5.006 16.343 ( -1.361 -0.939 6.309) 6.522 16.387 ( 4.114 0.956 1.010) 4.343 19.424 ( -1.108 -0.152 2.035) 2.322 20.338 ( 0.299 -0.008 -0.677) 0.740 ======================= Grid point 412 (204/282) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -1.719 8.845 8.343) 12.280 1.910 ( -3.734 6.648 10.563) 13.028 2.256 ( -0.566 -2.321 -3.547) 4.276 2.344 ( 4.433 -2.424 -0.004) 5.053 2.424 ( 3.116 -3.078 -2.284) 4.940 2.474 ( 4.132 7.919 -11.746) 14.757 2.892 ( 8.382 -5.547 3.442) 10.624 3.066 ( -0.675 -5.860 15.376) 16.469 3.637 ( -7.937 12.487 7.929) 16.786 3.961 ( 10.342 -17.529 -19.941) 28.494 4.419 ( -6.059 13.250 9.219) 17.241 4.554 ( -7.513 17.587 12.507) 22.851 5.163 ( -2.752 3.761 0.441) 4.682 5.585 ( -11.726 2.503 2.874) 12.330 5.670 ( -2.183 12.880 -1.669) 13.170 6.044 ( 3.201 14.391 5.257) 15.652 6.533 ( 3.183 1.241 8.129) 8.817 7.493 ( 0.882 -1.458 5.624) 5.877 7.614 ( -0.686 8.357 6.256) 10.462 7.884 ( -8.805 4.285 8.059) 12.682 8.721 ( 3.055 -4.245 -10.858) 12.052 8.792 ( 3.524 -8.025 -10.174) 13.429 10.657 ( -3.765 5.292 9.146) 11.218 11.025 ( -5.415 -0.979 5.226) 7.589 15.799 ( -8.589 4.749 -8.558) 13.022 15.916 ( 1.391 15.023 -6.587) 16.462 16.425 ( 7.829 0.442 7.594) 10.916 16.493 ( 0.398 -6.896 4.967) 8.508 19.444 ( -2.681 -1.730 3.260) 4.562 20.325 ( 1.059 1.212 -1.907) 2.495 ======================= Grid point 413 (205/282) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 1.237 7.762 8.498) 11.576 1.805 ( -3.003 10.360 11.946) 16.096 2.254 ( 0.338 -0.159 -2.982) 3.006 2.362 ( 1.394 1.623 -9.577) 9.813 2.413 ( -1.078 -2.126 1.180) 2.660 2.514 ( 8.852 -4.368 -4.567) 10.877 3.086 ( 0.628 -4.585 8.590) 9.758 3.287 ( 2.800 -2.948 22.703) 23.065 3.417 ( -1.900 11.547 10.324) 15.606 3.954 ( -1.923 13.605 -5.179) 14.683 4.142 ( -9.163 16.152 15.634) 24.275 4.561 ( 3.566 -12.410 -1.421) 12.990 5.038 ( -7.559 2.671 -1.356) 8.131 5.422 ( 1.965 10.939 -8.586) 14.044 5.497 ( -7.333 3.915 1.405) 8.430 5.822 ( -1.856 12.292 3.110) 12.814 6.682 ( 8.900 0.640 15.227) 17.649 7.380 ( -0.546 10.785 2.786) 11.152 7.675 ( -1.665 -1.517 13.593) 13.778 7.798 ( -7.784 1.355 6.333) 10.126 8.711 ( 0.724 -2.106 -12.300) 12.500 8.869 ( 3.630 -5.535 -10.981) 12.821 10.624 ( -2.279 3.452 11.665) 12.377 11.029 ( -5.487 -2.168 3.311) 6.765 15.571 ( -10.661 4.587 -8.342) 14.293 15.620 ( 4.883 16.542 -7.747) 18.908 16.566 ( 11.751 0.177 6.721) 13.538 16.650 ( -1.542 -8.378 4.468) 9.619 19.455 ( -5.032 -1.057 2.989) 5.948 20.302 ( 1.971 1.311 -2.322) 3.316 ======================= Grid point 414 (206/282) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 3.111 4.344 9.419) 10.829 1.720 ( -0.227 6.255 9.856) 11.676 2.216 ( -1.838 1.053 -3.780) 4.333 2.299 ( 3.006 0.658 -7.652) 8.248 2.417 ( -4.288 -1.399 -1.605) 4.788 2.641 ( 6.254 -4.920 -4.607) 9.195 3.017 ( -7.086 12.147 12.215) 18.627 3.398 ( -3.336 -1.856 10.588) 11.255 3.602 ( 17.848 0.916 16.940) 24.624 3.709 ( -4.437 5.935 12.527) 14.555 3.959 ( -8.017 11.474 22.398) 26.412 4.707 ( -4.060 -5.092 -9.762) 11.735 4.999 ( -6.074 -6.438 -0.331) 8.857 5.219 ( 5.398 7.464 -10.546) 14.003 5.343 ( -0.785 7.626 -2.340) 8.015 5.708 ( -2.049 1.710 -0.912) 2.820 6.762 ( 5.504 7.572 4.519) 10.395 7.330 ( 1.382 1.698 17.395) 17.532 7.731 ( -1.010 1.467 8.090) 8.284 7.803 ( -5.517 -1.832 10.599) 12.088 8.641 ( -1.268 -0.542 -13.901) 13.969 8.897 ( 4.105 -2.649 -11.304) 12.314 10.655 ( -0.881 1.284 12.917) 13.010 11.029 ( -4.809 -1.723 0.980) 5.202 15.358 ( -1.543 6.356 -6.037) 8.901 15.402 ( 0.540 6.743 -8.392) 10.779 16.711 ( 10.324 0.242 4.600) 11.305 16.784 ( -1.561 -6.074 2.924) 6.919 19.421 ( -6.580 0.318 2.612) 7.087 20.292 ( 2.525 0.590 -2.153) 3.370 ======================= Grid point 416 (207/282) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -4.055 0.000 5.957) 7.206 1.831 ( 8.120 -0.000 -6.092) 10.151 2.095 ( -0.418 0.000 -2.649) 2.682 2.241 ( 3.008 -0.000 -2.149) 3.697 2.350 ( -2.554 0.000 3.615) 4.426 2.612 ( -1.395 0.000 -4.707) 4.910 3.139 ( -0.689 0.000 18.083) 18.096 3.409 ( 6.490 -0.000 -6.932) 9.496 3.943 ( 9.532 -0.000 4.417) 10.505 4.016 ( -11.981 0.000 -15.265) 19.405 4.175 ( -9.845 0.000 16.679) 19.368 4.621 ( 11.964 -0.000 18.257) 21.827 4.780 ( -10.066 0.000 3.212) 10.566 4.995 ( 4.193 -0.000 -18.406) 18.877 5.474 ( 13.554 -0.000 -4.825) 14.388 5.747 ( 8.942 -0.000 -0.275) 8.946 6.740 ( 3.580 -0.000 -3.289) 4.862 7.817 ( 2.309 -0.000 6.108) 6.530 7.860 ( 5.736 -0.000 0.696) 5.778 7.877 ( -8.041 0.000 11.101) 13.707 8.280 ( -3.427 0.000 -5.455) 6.442 8.839 ( 4.874 -0.000 -9.758) 10.907 10.887 ( -0.015 0.000 8.728) 8.728 10.933 ( -0.998 0.000 -1.214) 1.571 15.281 ( 4.406 -0.000 -6.321) 7.706 15.335 ( 9.775 -0.000 -2.157) 10.010 16.762 ( -7.429 0.000 -3.507) 8.215 16.844 ( -1.330 0.000 1.673) 2.138 19.413 ( 1.684 -0.000 5.938) 6.172 20.279 ( -0.201 0.000 -2.995) 3.001 ======================= Grid point 417 (208/282) ======================= q-point: ( 0.20 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 2.767 -1.349 -5.224) 6.063 1.850 ( -0.611 -3.012 0.619) 3.135 2.122 ( 1.932 -3.210 1.987) 4.241 2.269 ( -0.956 -2.429 -2.570) 3.663 2.352 ( 0.478 0.979 2.920) 3.116 2.552 ( 0.007 2.835 -3.059) 4.170 3.273 ( -2.797 -0.584 14.502) 14.781 3.533 ( 5.153 -11.758 -8.389) 15.335 3.700 ( -15.447 0.495 -16.852) 22.865 4.010 ( 6.541 5.150 1.266) 8.421 4.261 ( -0.512 -1.237 9.698) 9.790 4.762 ( -8.573 -4.266 9.203) 13.281 4.818 ( 10.044 0.819 -1.304) 10.161 4.940 ( 5.332 -3.018 -2.632) 6.669 5.630 ( 14.961 -5.466 -4.991) 16.692 5.874 ( 11.315 -5.179 -2.618) 12.716 6.810 ( 1.135 -6.639 -4.292) 7.987 7.767 ( -2.378 3.834 -10.434) 11.368 7.852 ( -5.469 2.251 9.500) 11.191 7.918 ( 6.175 -0.233 -0.900) 6.245 8.303 ( -1.043 -2.994 8.604) 9.169 8.796 ( 3.489 2.865 -7.790) 9.004 10.881 ( -0.859 0.419 -3.602) 3.727 10.972 ( 1.038 0.042 8.343) 8.407 15.345 ( 4.297 -7.010 -4.009) 9.147 15.476 ( 12.852 -4.973 -1.475) 13.860 16.639 ( -11.116 0.082 -5.229) 12.285 16.798 ( -1.664 4.953 1.489) 5.433 19.485 ( 3.192 -0.520 5.731) 6.581 20.254 ( -1.040 -0.254 -2.811) 3.008 ======================= Grid point 418 (209/282) ======================= q-point: ( 0.30 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 6.122 -0.559 -3.529) 7.088 1.949 ( -1.787 -8.895 0.538) 9.088 2.221 ( 2.877 -2.019 3.868) 5.227 2.263 ( -2.841 -0.574 -1.422) 3.228 2.355 ( 0.490 -1.546 -3.479) 3.838 2.477 ( 1.306 5.243 -2.288) 5.868 3.203 ( -11.936 4.931 -9.415) 15.982 3.386 ( -10.978 6.394 9.198) 15.684 3.820 ( 1.878 -9.524 -9.663) 13.697 3.961 ( 12.267 4.965 -11.255) 17.373 4.367 ( -1.339 -9.600 6.083) 11.443 4.740 ( 2.990 0.838 -3.324) 4.549 4.985 ( 3.016 -8.391 9.472) 13.009 5.110 ( 1.627 -8.744 4.980) 10.194 5.814 ( 13.895 -3.306 -4.195) 14.886 6.109 ( 12.653 -11.924 -5.202) 18.148 6.841 ( -5.241 -3.028 -9.337) 11.127 7.589 ( -3.357 5.148 -7.068) 9.367 7.836 ( -3.143 -0.782 2.499) 4.090 7.982 ( 5.409 -0.246 2.592) 6.003 8.417 ( 0.988 -3.064 7.705) 8.350 8.707 ( 1.752 5.755 -4.683) 7.624 10.843 ( -0.469 0.334 -3.495) 3.542 11.032 ( 0.814 0.017 6.625) 6.675 15.522 ( 4.130 -10.587 -0.375) 11.370 15.709 ( 13.167 -8.765 -1.277) 15.869 16.496 ( -11.953 -0.853 -5.423) 13.153 16.679 ( -2.342 8.018 1.488) 8.484 19.546 ( 2.918 0.883 3.218) 4.433 20.237 ( -1.471 -1.114 -1.241) 2.224 ======================= Grid point 419 (210/282) ======================= q-point: ( 0.40 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 5.112 -1.673 -0.164) 5.381 2.089 ( 2.156 -5.647 -2.867) 6.690 2.208 ( -1.144 1.632 -0.272) 2.012 2.281 ( 0.949 -1.006 2.611) 2.955 2.356 ( -2.160 6.081 -2.538) 6.934 2.408 ( 2.049 -5.662 -3.735) 7.086 2.907 ( -9.847 5.814 -11.807) 16.437 3.289 ( -6.265 5.467 13.260) 15.652 3.709 ( 8.658 13.254 -17.253) 23.415 3.965 ( 4.973 -1.962 -9.708) 11.082 4.614 ( -1.143 -12.659 3.757) 13.254 4.802 ( 3.316 -5.515 0.533) 6.457 5.164 ( 2.298 -2.768 4.248) 5.566 5.348 ( -4.226 -15.954 10.886) 19.771 5.961 ( 12.104 -3.176 -3.310) 12.944 6.361 ( 8.426 -8.899 -9.659) 15.603 6.685 ( -5.778 3.936 -10.579) 12.681 7.453 ( -4.772 5.672 2.991) 7.993 7.869 ( -0.316 -6.937 -6.181) 9.296 8.056 ( 3.306 0.988 7.527) 8.280 8.498 ( -0.293 -1.466 0.154) 1.503 8.597 ( 2.888 6.374 -0.024) 6.998 10.819 ( -0.840 -0.064 -1.150) 1.425 11.070 ( -0.359 0.487 4.653) 4.692 15.739 ( 3.006 -9.999 2.178) 10.666 15.969 ( 10.161 -9.110 -0.955) 13.680 16.385 ( -9.722 -2.828 -4.656) 11.144 16.524 ( -2.304 8.890 2.085) 9.417 19.545 ( 1.753 3.120 -0.028) 3.578 20.251 ( -1.392 -2.339 0.886) 2.862 ======================= Grid point 420 (211/282) ======================= q-point: ( 0.50 0.10 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 2.967 1.561 2.165) 3.991 2.073 ( 3.358 0.329 -5.604) 6.541 2.185 ( -4.311 5.881 -1.813) 7.513 2.265 ( -0.247 -3.062 0.695) 3.149 2.316 ( -0.530 -0.836 2.089) 2.312 2.552 ( 1.905 -10.226 -3.027) 10.833 2.732 ( 3.433 4.631 -1.295) 5.908 3.282 ( -1.536 -2.919 2.216) 3.974 3.406 ( 13.127 19.860 -17.886) 29.777 3.969 ( -0.818 -0.327 -1.672) 1.890 4.729 ( -1.596 -2.051 0.844) 2.733 4.941 ( 1.043 -5.187 2.270) 5.757 5.209 ( -0.908 -0.953 1.213) 1.790 5.638 ( -7.875 -13.667 12.314) 20.011 6.096 ( 5.758 -1.674 0.600) 6.026 6.279 ( -3.054 3.527 -18.145) 18.735 6.648 ( 6.282 0.430 0.677) 6.333 7.348 ( -4.701 5.129 7.448) 10.192 7.946 ( 1.230 -6.865 -10.631) 12.715 8.101 ( 0.860 3.270 9.621) 10.198 8.441 ( -2.727 2.829 1.842) 4.340 8.597 ( 5.111 -1.024 -5.922) 7.889 10.810 ( -1.797 0.305 2.166) 2.831 11.069 ( -2.453 1.225 3.452) 4.408 15.904 ( -2.413 -7.534 0.328) 7.918 16.135 ( 3.146 -1.734 0.855) 3.693 16.358 ( -3.486 -5.486 -4.123) 7.697 16.407 ( 1.925 6.186 4.345) 7.800 19.491 ( 0.669 3.661 -1.160) 3.898 20.291 ( -1.041 -2.517 1.510) 3.115 ======================= Grid point 421 (212/282) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 2.463 2.096 5.041) 5.989 2.041 ( -1.762 5.872 0.999) 6.211 2.138 ( 1.575 -4.120 0.015) 4.411 2.313 ( 2.089 -1.066 0.255) 2.359 2.338 ( 0.730 -1.119 0.460) 1.413 2.632 ( -3.836 -5.269 -4.101) 7.701 2.805 ( 9.676 0.875 -2.093) 9.939 3.143 ( 19.951 15.619 -4.737) 25.777 3.394 ( 3.177 -11.675 -8.781) 14.950 3.921 ( -4.108 4.116 3.518) 6.796 4.697 ( -3.655 3.763 2.808) 5.950 4.982 ( -0.330 3.137 2.702) 4.153 5.215 ( -1.633 -0.377 0.469) 1.740 5.701 ( -15.677 -0.110 1.549) 15.753 5.985 ( -8.166 5.714 1.863) 10.139 6.293 ( 11.149 -1.055 -0.312) 11.203 6.658 ( 4.055 5.547 1.534) 7.040 7.334 ( -2.979 -1.651 9.544) 10.134 7.926 ( 1.115 3.828 -5.207) 6.558 8.083 ( -1.526 6.293 8.514) 10.697 8.462 ( 0.169 -6.772 -1.936) 7.046 8.609 ( 3.370 -2.789 -11.637) 12.432 10.794 ( -2.731 2.119 5.017) 6.093 11.036 ( -4.612 1.202 3.476) 5.899 15.901 ( -8.783 -0.696 -6.122) 10.728 16.151 ( -1.187 0.511 5.647) 5.793 16.371 ( 2.189 2.253 -1.752) 3.597 16.455 ( 5.863 -2.405 3.943) 7.464 19.440 ( -0.251 1.938 0.046) 1.954 20.324 ( -0.530 -1.391 0.564) 1.592 ======================= Grid point 422 (213/282) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 0.680 7.150 5.069) 8.791 2.027 ( 0.327 0.924 10.027) 10.075 2.196 ( 0.641 -0.320 -0.573) 0.917 2.356 ( 4.329 -1.526 -1.238) 4.754 2.384 ( 2.314 -3.031 -1.935) 4.276 2.563 ( 1.224 6.527 -9.389) 11.500 2.826 ( 2.363 -4.728 -1.190) 5.418 3.278 ( 21.476 2.479 15.536) 26.622 3.569 ( 1.459 -13.274 -15.941) 20.796 3.846 ( 1.377 3.821 6.444) 7.617 4.590 ( -4.736 7.443 5.927) 10.628 4.847 ( -2.895 14.196 3.458) 14.895 5.163 ( -5.822 2.587 -3.070) 7.073 5.502 ( -14.396 2.046 -1.744) 14.645 5.827 ( -6.165 9.575 5.911) 12.831 6.338 ( 6.207 11.089 2.005) 12.865 6.646 ( 5.840 0.336 8.248) 10.112 7.459 ( -2.086 -6.941 10.210) 12.521 7.807 ( 1.676 9.660 0.278) 9.809 7.981 ( -4.320 8.573 7.259) 12.035 8.586 ( 3.603 -6.928 -9.534) 12.324 8.608 ( 0.424 -7.080 -11.874) 13.831 10.758 ( -2.777 3.730 7.430) 8.765 10.999 ( -5.829 0.230 3.968) 7.055 15.732 ( -8.708 4.345 -6.633) 11.778 16.125 ( 2.259 8.757 -1.301) 9.137 16.357 ( -2.758 -3.543 3.272) 5.555 16.590 ( 8.038 -1.662 4.896) 9.557 19.424 ( -1.553 -0.076 1.634) 2.256 20.332 ( 0.226 0.078 -0.754) 0.791 ======================= Grid point 423 (214/282) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 2.600 7.731 4.392) 9.264 2.017 ( -0.769 8.539 8.731) 12.236 2.180 ( -3.148 -1.580 -1.399) 3.789 2.363 ( -0.361 1.252 -5.165) 5.327 2.444 ( 6.406 3.146 -3.419) 7.914 2.486 ( 6.395 -3.770 -4.795) 8.837 2.973 ( -4.921 -10.016 8.870) 14.256 3.524 ( 2.720 5.132 8.807) 10.550 3.609 ( 12.794 -1.623 11.732) 17.434 3.956 ( 9.075 -4.276 -7.146) 12.317 4.453 ( -2.355 12.772 7.659) 15.077 4.570 ( -4.211 11.794 4.774) 13.402 4.993 ( -9.694 4.171 -4.331) 11.407 5.354 ( -11.251 0.705 -3.490) 11.800 5.650 ( -1.153 10.320 2.031) 10.581 6.105 ( 1.850 18.943 0.243) 19.034 6.856 ( 8.883 -3.741 15.499) 18.251 7.576 ( 2.890 6.247 1.077) 6.966 7.676 ( -6.987 0.310 11.856) 13.766 7.861 ( -2.195 6.345 5.924) 8.954 8.574 ( -0.468 -3.534 -13.741) 14.196 8.718 ( 3.937 -8.288 -10.672) 14.074 10.735 ( -1.723 3.210 9.828) 10.481 10.974 ( -5.669 -0.883 3.420) 6.679 15.531 ( -6.178 5.811 -5.586) 10.156 15.898 ( 4.083 17.071 -6.311) 18.652 16.480 ( -3.638 -9.790 5.578) 11.841 16.716 ( 7.160 -0.857 4.298) 8.395 19.422 ( -3.061 -0.287 2.283) 3.829 20.321 ( 1.053 0.834 -1.580) 2.074 ======================= Grid point 424 (215/282) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 4.519 5.490 1.489) 7.265 1.908 ( -0.896 8.994 7.957) 12.042 2.151 ( -3.282 -0.602 -4.128) 5.308 2.313 ( 1.182 1.077 -2.214) 2.731 2.406 ( 0.499 3.308 -2.369) 4.099 2.583 ( 4.668 -4.204 -5.512) 8.357 3.118 ( -8.304 -3.484 13.440) 16.178 3.492 ( 2.359 3.829 11.275) 12.139 3.814 ( 3.469 7.296 -2.839) 8.563 3.963 ( 12.935 4.892 14.611) 20.118 4.249 ( -0.968 13.317 17.204) 21.777 4.545 ( -1.322 -2.631 -6.971) 7.567 4.858 ( -6.113 -3.494 -4.111) 8.154 5.190 ( -9.154 2.750 -6.987) 11.840 5.507 ( 5.383 9.080 -2.025) 10.748 5.838 ( 2.150 14.153 0.343) 14.319 6.995 ( 5.129 8.625 4.927) 11.179 7.480 ( 1.054 2.661 13.551) 13.850 7.771 ( -5.031 -4.476 9.253) 11.444 7.818 ( 0.662 3.251 6.714) 7.489 8.511 ( -2.363 -1.466 -13.692) 13.972 8.798 ( 4.971 -5.381 -11.420) 13.568 10.757 ( -0.474 1.668 11.293) 11.425 10.964 ( -4.470 -1.575 1.517) 4.977 15.367 ( -1.698 5.102 -4.052) 6.733 15.609 ( 4.912 16.373 -7.495) 18.665 16.651 ( -2.737 -9.853 4.328) 11.104 16.803 ( 3.940 -0.384 2.241) 4.549 19.402 ( -3.290 0.870 2.857) 4.443 20.308 ( 1.332 0.668 -1.991) 2.486 ======================= Grid point 427 (216/282) ======================= q-point: ( 0.20 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -4.413 0.000 -0.143) 4.416 1.895 ( 7.900 -0.000 -6.348) 10.134 2.092 ( -0.974 0.000 3.408) 3.544 2.230 ( -1.684 0.000 -1.440) 2.216 2.380 ( -0.249 0.000 0.883) 0.918 2.601 ( 4.581 -0.000 2.298) 5.125 3.344 ( -0.890 0.000 12.545) 12.577 3.363 ( -20.913 0.000 -18.526) 27.938 3.448 ( 9.256 -0.000 -9.314) 13.131 4.186 ( 15.221 -0.000 -6.305) 16.475 4.346 ( -3.361 0.000 16.052) 16.401 4.640 ( -11.614 0.000 6.912) 13.515 4.856 ( 8.939 -0.000 -14.557) 17.083 4.992 ( 3.693 -0.000 7.401) 8.271 5.675 ( 15.584 -0.000 -7.532) 17.309 5.920 ( 11.123 -0.000 -4.805) 12.116 6.759 ( 3.766 -0.000 -4.991) 6.253 7.684 ( -0.043 0.000 -18.066) 18.066 7.836 ( -7.471 0.000 4.884) 8.926 8.002 ( 8.323 -0.000 0.537) 8.340 8.344 ( -2.380 0.000 14.601) 14.793 8.800 ( 1.576 -0.000 -5.227) 5.460 10.851 ( 0.589 -0.000 -5.860) 5.889 11.033 ( 0.554 -0.000 7.276) 7.297 15.281 ( 4.422 -0.000 -6.132) 7.560 15.590 ( 16.092 -0.000 2.584) 16.298 16.469 ( -13.728 0.000 -8.265) 16.024 16.836 ( -1.573 0.000 1.331) 2.061 19.551 ( 2.879 -0.000 5.694) 6.380 20.223 ( -0.884 0.000 -2.791) 2.928 ======================= Grid point 428 (217/282) ======================= q-point: ( 0.30 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -2.396 -8.023 -0.073) 8.373 1.914 ( 8.296 1.299 -2.865) 8.872 2.157 ( -1.636 -4.407 0.226) 4.707 2.219 ( -1.038 -1.981 0.257) 2.251 2.358 ( 0.288 1.725 -1.786) 2.499 2.616 ( 4.266 6.772 1.483) 8.140 3.057 ( -11.629 2.932 -12.016) 16.977 3.430 ( -3.214 -1.655 10.816) 11.404 3.588 ( 5.532 -12.315 -8.939) 16.192 4.184 ( 11.569 11.130 -5.022) 16.821 4.309 ( -4.433 1.151 3.817) 5.962 4.716 ( -7.699 -4.960 9.340) 13.081 4.869 ( 9.986 -6.838 -11.563) 16.739 5.074 ( 0.715 -2.875 2.986) 4.207 5.832 ( 13.224 -6.633 -8.025) 16.831 6.016 ( 9.729 -5.702 -8.059) 13.861 6.751 ( 1.968 0.610 -7.355) 7.638 7.567 ( 2.277 1.640 -12.924) 13.225 7.789 ( -6.012 0.082 0.770) 6.062 8.080 ( 8.194 0.781 1.920) 8.452 8.428 ( -3.453 -1.856 11.673) 12.314 8.760 ( 0.051 2.478 -2.350) 3.415 10.818 ( 1.486 0.103 -5.976) 6.159 11.078 ( -0.329 0.112 5.526) 5.537 15.356 ( 3.877 -8.639 -5.121) 10.765 15.793 ( 16.771 -2.285 4.001) 17.393 16.289 ( -13.950 -1.872 -9.005) 16.709 16.786 ( -1.695 5.061 1.463) 5.534 19.601 ( 1.364 0.450 3.357) 3.651 20.205 ( -0.476 -0.498 -1.493) 1.645 ======================= Grid point 429 (218/282) ======================= q-point: ( 0.40 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -1.255 -6.399 1.543) 6.701 2.022 ( 10.630 -5.197 -0.123) 11.833 2.175 ( -2.208 -3.674 -4.392) 6.137 2.244 ( 1.093 0.409 -3.791) 3.966 2.345 ( 0.537 -0.571 1.937) 2.090 2.462 ( -2.863 8.839 -5.677) 10.888 2.923 ( 4.802 4.950 -0.789) 6.941 3.419 ( -10.800 6.754 15.912) 20.383 3.737 ( 4.192 -7.554 -11.375) 14.284 4.045 ( 13.870 11.556 -13.678) 22.650 4.404 ( -3.432 -12.749 6.238) 14.602 4.740 ( -0.681 -3.006 0.165) 3.087 5.099 ( 1.311 -14.894 1.172) 14.998 5.127 ( -2.913 -3.728 -0.944) 4.824 5.974 ( 9.920 -4.584 -8.044) 13.569 6.161 ( 2.092 -10.196 -14.869) 18.150 6.696 ( 5.658 2.784 -4.091) 7.516 7.506 ( 1.859 2.552 -2.596) 4.087 7.741 ( -3.148 -1.894 -4.914) 6.135 8.160 ( 6.492 0.544 3.717) 7.500 8.466 ( -5.981 -0.586 5.256) 7.983 8.705 ( 1.393 3.770 0.742) 4.087 10.800 ( 1.404 -0.296 -3.839) 4.098 11.094 ( -1.828 0.414 3.497) 3.968 15.544 ( 1.702 -12.974 -2.905) 13.404 16.000 ( 9.840 -3.979 -0.675) 10.635 16.180 ( -6.896 -4.014 -3.255) 8.618 16.671 ( -1.238 7.961 2.026) 8.307 19.598 ( -0.057 2.043 -0.107) 2.046 20.215 ( -0.243 -1.537 0.646) 1.685 ======================= Grid point 430 (219/282) ======================= q-point: ( 0.50 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -0.244 -3.032 2.515) 3.946 2.123 ( 1.579 3.471 -6.088) 7.183 2.207 ( 4.749 -3.673 -2.186) 6.389 2.244 ( -2.048 -4.988 -0.798) 5.451 2.274 ( 0.884 6.712 -2.117) 7.094 2.422 ( 2.353 -4.848 0.514) 5.413 2.938 ( 14.487 6.423 4.599) 16.501 3.283 ( -10.567 5.169 9.242) 14.960 3.723 ( 13.612 11.388 -12.435) 21.670 3.937 ( 5.162 1.071 -8.249) 9.790 4.623 ( -3.046 -9.687 3.345) 10.692 4.838 ( -0.013 -8.239 0.815) 8.279 5.138 ( -5.131 -4.270 -2.196) 7.027 5.359 ( -6.535 -16.194 4.500) 18.033 6.084 ( -0.584 -1.553 -4.771) 5.051 6.116 ( 1.059 -6.379 -18.340) 19.447 6.767 ( 11.580 0.612 2.748) 11.918 7.452 ( -0.633 5.552 4.151) 6.961 7.752 ( 0.600 -7.369 -10.030) 12.461 8.221 ( 3.624 1.804 4.669) 6.180 8.413 ( -8.739 0.432 1.805) 8.934 8.670 ( 4.487 4.683 -0.367) 6.496 10.803 ( 0.336 -0.710 -0.342) 0.856 11.074 ( -3.920 0.898 1.957) 4.473 15.712 ( -4.526 -9.373 -2.441) 10.690 16.102 ( -0.484 -11.323 -8.450) 14.137 16.243 ( 3.228 1.112 7.042) 7.826 16.564 ( 2.740 6.420 2.874) 7.549 19.541 ( -0.727 3.136 -1.988) 3.783 20.254 ( -0.248 -2.228 1.808) 2.880 ======================= Grid point 431 (220/282) ======================= q-point: ( 0.60 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -4.417 0.717 5.767) 7.299 2.099 ( 5.664 -2.690 -3.675) 7.268 2.190 ( 3.337 5.992 1.881) 7.112 2.283 ( 2.270 -2.976 -0.966) 3.866 2.318 ( 1.206 -4.116 0.477) 4.315 2.509 ( -0.305 -3.113 -1.214) 3.355 3.003 ( 14.908 7.998 0.300) 16.920 3.219 ( -4.786 -3.937 -2.306) 6.613 3.572 ( 22.831 15.104 -6.032) 28.032 3.943 ( -0.495 -0.455 0.779) 1.029 4.686 ( -4.115 -1.781 0.525) 4.515 4.965 ( -1.452 -5.377 1.479) 5.762 5.152 ( -3.805 -3.757 -2.190) 5.778 5.478 ( -15.882 -7.485 -2.072) 17.679 5.971 ( -5.961 -0.556 -0.369) 5.998 6.267 ( 6.084 -9.296 -3.120) 11.539 6.843 ( 8.220 5.569 4.416) 10.867 7.389 ( -1.154 4.185 5.998) 7.405 7.840 ( 2.706 -8.508 -10.330) 13.653 8.223 ( 1.163 4.843 5.100) 7.129 8.348 ( -8.560 -3.069 -0.296) 9.098 8.618 ( 6.149 5.697 -4.806) 9.663 10.818 ( -1.035 -0.126 3.059) 3.232 11.022 ( -5.798 0.970 1.644) 6.104 15.737 ( -7.853 -4.718 -4.557) 10.232 16.218 ( -0.456 3.680 5.216) 6.400 16.282 ( -0.046 -10.151 -2.804) 10.532 16.565 ( 7.176 3.210 3.436) 8.579 19.471 ( -0.905 2.524 -1.431) 3.039 20.298 ( -0.221 -1.836 1.447) 2.349 ======================= Grid point 432 (221/282) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( -2.505 0.232 8.767) 9.120 2.131 ( 2.845 3.705 2.438) 5.270 2.218 ( 5.299 -2.509 -0.174) 5.865 2.343 ( 0.906 -2.739 -0.374) 2.908 2.381 ( 2.973 0.439 0.107) 3.007 2.511 ( -4.672 -2.940 -1.623) 5.754 2.924 ( 12.069 10.682 -8.186) 18.077 3.273 ( 0.250 -10.795 -12.786) 16.736 3.660 ( 23.621 5.068 10.207) 26.226 3.955 ( 2.129 1.602 5.778) 6.363 4.643 ( -5.115 1.761 0.968) 5.495 4.956 ( -5.253 3.209 -3.273) 6.972 5.124 ( -3.799 1.325 -2.954) 4.992 5.359 ( -13.688 -1.300 -2.202) 13.925 5.932 ( -7.037 3.970 8.476) 11.710 6.462 ( 5.435 -5.801 1.714) 8.132 6.811 ( 4.683 7.939 6.687) 11.387 7.403 ( -2.836 -3.163 7.233) 8.389 7.898 ( 2.504 -0.927 -5.196) 5.842 8.148 ( -1.151 8.430 5.291) 10.019 8.377 ( -3.042 -9.735 -6.771) 12.242 8.541 ( 5.483 4.258 -8.343) 10.854 10.823 ( -1.717 1.430 5.696) 6.118 10.966 ( -6.454 0.132 2.441) 6.901 15.672 ( -5.697 0.730 -4.714) 7.430 16.196 ( -3.348 0.621 7.529) 8.263 16.363 ( 2.138 1.003 -4.463) 5.049 16.632 ( 5.020 -2.193 3.344) 6.418 19.429 ( -1.086 0.999 0.222) 1.492 20.325 ( -0.007 -0.734 0.358) 0.817 ======================= Grid point 433 (222/282) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -1.458 4.898 4.483) 6.798 2.132 ( 0.390 1.757 4.528) 4.872 2.224 ( 0.969 6.842 0.230) 6.914 2.330 ( -2.853 -0.036 -1.609) 3.275 2.436 ( 5.383 -4.552 -4.590) 8.412 2.517 ( 0.426 -0.033 -2.335) 2.374 2.887 ( 4.149 -0.642 2.690) 4.987 3.386 ( 1.896 -12.127 -14.766) 19.201 3.882 ( 13.614 1.859 12.867) 18.824 4.049 ( 11.907 -0.346 6.736) 13.684 4.563 ( -3.060 3.164 1.059) 4.527 4.754 ( -5.839 8.876 -4.168) 11.413 4.974 ( -7.120 8.534 -3.456) 11.639 5.264 ( -8.022 1.098 2.023) 8.346 5.812 ( -4.561 8.964 6.778) 12.128 6.422 ( 2.751 14.944 -0.588) 15.207 6.920 ( 4.422 -7.035 12.906) 15.350 7.518 ( -4.403 -8.332 6.152) 11.254 7.833 ( -0.487 8.629 0.370) 8.650 8.020 ( 0.658 9.288 4.826) 10.488 8.433 ( 1.161 -2.951 -11.969) 12.382 8.539 ( 3.638 -7.805 -9.056) 12.497 10.824 ( -1.205 1.982 7.842) 8.178 10.931 ( -5.701 -0.621 2.875) 6.415 15.556 ( -2.024 5.001 -3.192) 6.268 16.148 ( 2.552 11.639 -2.186) 12.114 16.342 ( -3.647 -5.422 3.805) 7.562 16.744 ( 2.264 -3.644 2.188) 4.816 19.416 ( -1.114 0.178 1.557) 1.923 20.328 ( 0.176 0.276 -0.674) 0.749 ======================= Grid point 434 (223/282) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -0.914 5.407 -0.302) 5.492 2.084 ( -0.030 8.069 2.928) 8.583 2.130 ( 0.006 2.365 -0.419) 2.402 2.304 ( -2.602 -0.756 0.221) 2.718 2.469 ( 1.654 4.042 -4.030) 5.942 2.518 ( 3.057 -3.783 -5.441) 7.298 3.028 ( -3.871 -7.814 12.997) 15.651 3.499 ( 2.239 -8.974 -7.937) 12.187 3.962 ( 5.628 6.386 0.520) 8.528 4.210 ( 9.021 1.544 2.303) 9.438 4.520 ( 1.122 3.404 -1.362) 3.834 4.592 ( 4.743 10.051 11.057) 15.677 4.704 ( -10.612 4.046 -6.450) 13.061 5.173 ( -5.502 5.411 4.904) 9.143 5.681 ( 2.529 8.104 1.020) 8.550 6.153 ( 4.276 18.439 -1.140) 18.962 7.129 ( 0.690 -1.888 6.175) 6.494 7.627 ( -1.247 -0.800 3.337) 3.651 7.685 ( -5.135 1.457 9.256) 10.685 7.948 ( 3.541 5.734 3.018) 7.384 8.394 ( -0.114 -0.722 -8.700) 8.731 8.655 ( 4.631 -8.406 -10.818) 14.461 10.849 ( 0.006 1.257 9.199) 9.284 10.914 ( -4.174 -0.956 1.699) 4.607 15.446 ( 2.260 6.089 -1.386) 6.641 15.892 ( 4.091 17.589 -6.106) 19.063 16.483 ( -3.846 -10.309 5.477) 12.291 16.804 ( -1.387 -1.884 0.090) 2.341 19.419 ( -0.153 0.471 2.668) 2.714 20.313 ( -0.064 0.688 -1.460) 1.615 ======================= Grid point 438 (224/282) ======================= q-point: ( 0.30 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -2.103 0.000 0.679) 2.210 1.987 ( 8.297 -0.000 -1.742) 8.478 2.138 ( -0.200 0.000 4.939) 4.943 2.166 ( -1.289 0.000 -4.354) 4.540 2.376 ( 1.849 -0.000 -0.466) 1.907 2.675 ( -7.656 0.000 -3.853) 8.571 3.017 ( 8.104 -0.000 2.176) 8.391 3.411 ( 7.011 -0.000 -10.833) 12.904 3.496 ( -3.264 0.000 5.759) 6.620 4.236 ( -1.223 0.000 -7.260) 7.363 4.447 ( -7.375 0.000 13.824) 15.668 4.608 ( 2.464 -0.000 3.124) 3.979 4.842 ( 11.126 -0.000 -15.077) 18.738 5.047 ( -3.302 0.000 -0.005) 3.302 5.780 ( 7.689 -0.000 -13.754) 15.757 6.000 ( 6.851 -0.000 -9.250) 11.511 6.753 ( 5.752 -0.000 -7.039) 9.090 7.540 ( 7.062 -0.000 -10.585) 12.725 7.736 ( -4.906 0.000 -1.959) 5.282 8.167 ( 6.097 -0.000 1.598) 6.303 8.451 ( -5.694 0.000 11.611) 12.932 8.764 ( -0.400 0.000 -0.695) 0.802 10.797 ( 2.931 -0.000 -6.466) 7.099 11.102 ( -1.926 0.000 4.367) 4.773 15.283 ( 4.447 -0.000 -6.036) 7.497 15.935 ( 6.681 -0.000 -3.261) 7.435 16.110 ( -3.359 0.000 -1.123) 3.542 16.821 ( -1.697 0.000 1.118) 2.032 19.625 ( -1.236 0.000 1.889) 2.257 20.194 ( 0.928 -0.000 -1.022) 1.380 ======================= Grid point 439 (225/282) ======================= q-point: ( 0.40 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -1.351 -8.626 1.851) 8.925 2.057 ( 2.638 -0.664 0.579) 2.781 2.123 ( 4.508 -0.024 -2.404) 5.109 2.224 ( 3.787 -3.555 -0.198) 5.198 2.366 ( -1.808 1.951 -1.399) 3.005 2.510 ( -3.627 5.589 -4.545) 8.065 3.132 ( 16.292 5.303 4.782) 17.788 3.485 ( -10.859 1.610 9.562) 14.558 3.514 ( 6.985 -12.313 -11.195) 18.048 4.216 ( -5.401 -6.759 0.606) 8.673 4.307 ( 1.096 12.232 2.544) 12.542 4.710 ( -2.240 -0.894 3.477) 4.232 4.914 ( 11.371 -8.196 -12.715) 18.925 5.016 ( -5.940 -3.232 -2.660) 7.267 5.806 ( 0.832 -9.566 -17.655) 20.097 6.001 ( 3.070 -2.087 -9.754) 10.436 6.771 ( 8.282 0.333 -3.763) 9.103 7.556 ( 8.383 1.142 -4.920) 9.787 7.668 ( -3.532 0.326 -5.180) 6.279 8.221 ( 1.576 -0.585 1.995) 2.609 8.452 ( -7.333 1.059 8.344) 11.159 8.763 ( 2.660 0.940 0.413) 2.851 10.788 ( 3.093 -0.081 -4.767) 5.684 11.097 ( -3.675 0.447 2.964) 4.742 15.358 ( 3.549 -8.453 -5.077) 10.480 15.832 ( -10.314 -3.855 -13.188) 17.180 16.253 ( 13.730 -0.225 9.823) 16.884 16.774 ( -1.391 4.443 1.253) 4.821 19.602 ( -3.234 0.613 -0.674) 3.360 20.209 ( 1.771 -0.519 0.216) 1.858 ======================= Grid point 440 (226/282) ======================= q-point: ( 0.50 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -0.748 -8.246 1.767) 8.466 2.057 ( -2.329 -1.481 -2.261) 3.567 2.191 ( 2.176 -1.724 1.856) 3.339 2.221 ( 0.255 2.822 -6.302) 6.910 2.374 ( 9.262 -2.616 -1.416) 9.728 2.425 ( 1.353 3.508 0.980) 3.886 3.199 ( 10.372 4.286 -1.307) 11.299 3.363 ( -9.346 8.027 12.082) 17.256 3.727 ( 7.835 -9.030 -2.357) 12.185 4.122 ( 9.957 12.429 -8.423) 18.016 4.406 ( -6.455 -15.357 7.790) 18.390 4.728 ( 0.105 -3.685 -0.480) 3.718 4.946 ( -9.881 -5.194 -4.815) 12.157 5.119 ( 2.151 -10.067 -5.191) 11.529 5.828 ( -4.124 -9.570 -18.976) 21.649 6.009 ( 1.157 -4.258 -6.052) 7.490 6.871 ( 9.202 -2.653 1.503) 9.694 7.570 ( 4.403 4.352 0.507) 6.212 7.605 ( -0.199 -2.594 -9.321) 9.677 8.234 ( -4.875 -1.340 0.590) 5.090 8.402 ( -5.280 2.905 6.776) 9.068 8.781 ( 6.179 2.650 -0.420) 6.736 10.795 ( 1.835 -0.560 -1.678) 2.549 11.056 ( -5.472 1.059 1.683) 5.822 15.504 ( -2.211 -9.038 -3.545) 9.957 15.797 ( -3.797 -12.614 -11.487) 17.478 16.408 ( 7.590 3.902 9.575) 12.826 16.697 ( 2.098 4.824 1.747) 5.543 19.541 ( -3.815 1.170 -2.328) 4.619 20.245 ( 1.771 -1.059 1.224) 2.399 ======================= Grid point 441 (227/282) ======================= q-point: ( 0.60 0.30 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -2.734 -2.199 4.157) 5.440 2.071 ( 2.801 -4.137 -2.741) 5.698 2.191 ( -1.257 -2.087 -0.524) 2.492 2.263 ( 1.655 -2.077 1.656) 3.129 2.379 ( 6.033 3.755 -1.338) 7.231 2.494 ( 4.898 -1.515 -1.017) 5.227 3.132 ( -10.562 1.750 1.462) 10.806 3.285 ( 10.455 8.788 0.380) 13.663 3.909 ( 7.496 -3.538 2.834) 8.759 3.979 ( 16.678 12.119 -8.181) 22.181 4.579 ( -6.204 -6.414 2.661) 9.312 4.832 ( -2.131 -8.132 1.119) 8.480 4.956 ( -10.246 -11.323 -1.618) 15.356 5.202 ( -6.885 -6.614 -5.762) 11.151 5.833 ( -3.449 -7.986 -6.784) 11.032 6.109 ( 0.988 -10.299 -2.730) 10.700 6.997 ( 5.273 0.212 4.893) 7.197 7.506 ( 1.730 5.501 -1.390) 5.931 7.640 ( 1.601 -7.623 -8.228) 11.330 8.185 ( -10.109 -2.258 -0.158) 10.359 8.361 ( -0.002 4.435 5.139) 6.788 8.770 ( 7.857 5.901 -2.568) 10.156 10.818 ( -0.072 -1.113 1.599) 1.949 10.987 ( -6.769 1.218 1.396) 7.018 15.550 ( -5.615 -6.233 -3.892) 9.248 16.006 ( 2.364 -17.844 -6.776) 19.233 16.371 ( -1.755 8.707 7.548) 11.656 16.703 ( 6.259 2.959 2.504) 7.362 19.472 ( -3.188 1.075 -1.909) 3.869 20.287 ( 1.278 -1.165 1.287) 2.156 ======================= Grid point 442 (228/282) ======================= q-point: (-0.30 -0.70 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -1.059 -2.391 7.259) 7.716 2.168 ( 4.393 -2.767 -1.348) 5.364 2.206 ( -2.422 -2.288 1.894) 3.832 2.308 ( 0.360 -1.867 0.504) 1.967 2.404 ( 4.033 -0.112 0.965) 4.148 2.493 ( 1.074 3.459 -2.696) 4.515 3.044 ( -6.609 -3.752 -5.242) 9.232 3.202 ( 12.821 11.394 -8.692) 19.229 3.943 ( 8.315 2.045 -0.540) 8.580 4.041 ( 9.530 1.203 4.347) 10.544 4.585 ( -4.158 -1.807 -1.150) 4.677 4.871 ( -7.526 -1.303 -2.830) 8.145 5.041 ( -6.321 -6.944 -0.791) 9.423 5.198 ( -4.462 -4.846 -0.061) 6.588 5.913 ( -5.615 -5.133 5.626) 9.462 6.325 ( 1.824 -14.211 0.874) 14.354 7.011 ( 0.458 5.829 6.987) 9.111 7.412 ( -2.044 3.747 -1.252) 4.448 7.764 ( 1.956 -10.067 -7.273) 12.573 8.156 ( -7.922 -6.461 -1.376) 10.314 8.311 ( 3.403 6.982 2.792) 8.254 8.694 ( 7.578 9.231 -4.856) 12.892 10.849 ( -1.467 -1.104 4.203) 4.586 10.918 ( -6.716 0.569 2.387) 7.151 15.578 ( -2.354 -4.222 -2.555) 5.468 16.252 ( -2.188 -6.567 1.102) 7.009 16.268 ( 1.014 0.053 1.730) 2.006 16.704 ( 2.901 3.658 1.027) 4.780 19.427 ( -2.039 0.375 -0.302) 2.095 20.319 ( 0.705 -0.674 0.670) 1.183 ======================= Grid point 443 (229/282) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -1.465 3.206 3.985) 5.321 2.186 ( -1.932 -0.774 4.033) 4.538 2.255 ( -0.619 -0.110 -0.919) 1.113 2.356 ( 0.207 -1.098 0.908) 1.439 2.386 ( -0.116 3.492 -4.519) 5.712 2.451 ( -0.851 -2.673 1.852) 3.361 3.061 ( 9.734 4.085 -7.110) 12.727 3.099 ( 3.971 -5.263 -12.989) 14.567 4.011 ( 2.040 -1.706 1.154) 2.899 4.117 ( -0.779 -3.626 -0.335) 3.724 4.578 ( 2.565 0.700 -0.687) 2.746 4.768 ( -2.284 3.674 0.073) 4.327 5.016 ( -5.985 2.529 0.200) 6.501 5.265 ( 1.712 -1.205 4.952) 5.376 5.924 ( -6.426 3.150 9.281) 11.720 6.542 ( 1.759 -5.076 -0.280) 5.380 6.951 ( -2.751 2.814 8.328) 9.211 7.373 ( -5.186 -4.839 -0.972) 7.159 7.853 ( -2.735 -3.161 0.863) 4.268 8.229 ( 4.825 7.460 -1.910) 9.087 8.247 ( 0.367 -9.339 -3.361) 9.932 8.561 ( 6.464 9.025 -6.652) 12.941 10.877 ( -6.177 -1.662 3.027) 7.077 10.884 ( -0.710 0.751 6.423) 6.506 15.595 ( 2.027 0.887 -0.963) 2.413 16.228 ( -4.961 -0.694 8.693) 10.033 16.342 ( 3.179 2.844 -5.861) 7.249 16.693 ( -1.478 -2.418 0.084) 2.836 19.416 ( -0.741 -0.373 0.990) 1.291 20.330 ( 0.106 0.181 -0.017) 0.210 ======================= Grid point 444 (230/282) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -3.121 6.348 0.616) 7.100 2.189 ( 0.677 3.267 1.601) 3.701 2.220 ( -1.260 3.724 0.956) 4.046 2.241 ( -3.705 0.928 -1.319) 4.041 2.433 ( -1.178 -4.091 -3.792) 5.701 2.481 ( 0.393 -0.582 -1.578) 1.727 3.049 ( 5.939 2.196 5.403) 8.324 3.231 ( 2.379 -14.039 -15.438) 21.002 4.000 ( -6.456 -3.682 -9.831) 12.324 4.127 ( -3.834 -2.911 -9.177) 10.363 4.602 ( 5.390 1.184 3.090) 6.324 4.749 ( 6.048 6.997 4.233) 10.171 4.887 ( -0.306 8.549 8.136) 11.805 5.303 ( 2.155 5.177 9.050) 10.646 5.839 ( -1.152 7.303 5.443) 9.181 6.450 ( 2.420 13.255 -1.959) 13.616 7.033 ( -5.169 -8.768 0.391) 10.186 7.444 ( -6.685 -9.523 1.316) 11.710 7.837 ( -2.813 4.596 7.997) 9.643 8.110 ( 3.542 9.214 -1.296) 9.956 8.382 ( 6.119 -3.231 -5.315) 8.725 8.494 ( 3.891 -3.154 -7.222) 8.789 10.867 ( -4.231 -1.196 2.305) 4.964 10.924 ( 0.149 0.352 7.547) 7.557 15.578 ( 5.655 5.073 0.958) 7.657 16.158 ( 2.869 14.102 -4.223) 14.998 16.329 ( -4.372 -7.756 5.857) 10.657 16.722 ( -4.737 -3.618 -1.585) 6.168 19.436 ( 0.881 -0.871 1.656) 2.068 20.315 ( -0.672 1.005 -0.471) 1.298 ======================= Grid point 449 (231/282) ======================= q-point: ( 0.40 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -1.523 0.000 3.840) 4.131 2.049 ( -0.839 0.000 -2.366) 2.510 2.212 ( 10.426 -0.000 -1.015) 10.475 2.222 ( 2.633 -0.000 4.192) 4.951 2.323 ( -5.134 0.000 -4.501) 6.828 2.526 ( 0.746 -0.000 -1.108) 1.336 3.267 ( -1.004 0.000 -20.762) 20.787 3.468 ( 22.973 -0.000 11.797) 25.826 3.490 ( -6.677 0.000 9.175) 11.347 4.080 ( -9.336 0.000 2.702) 9.719 4.427 ( -15.542 0.000 15.214) 21.748 4.731 ( 9.721 -0.000 -4.214) 10.595 4.881 ( 13.873 -0.000 -14.961) 20.403 4.889 ( -7.674 0.000 -6.052) 9.773 5.578 ( -2.621 0.000 -19.794) 19.967 5.941 ( 0.897 -0.000 -9.141) 9.185 6.813 ( 6.566 -0.000 -3.515) 7.448 7.597 ( -2.757 0.000 -7.856) 8.326 7.631 ( 9.328 -0.000 -2.746) 9.724 8.211 ( -6.242 0.000 4.480) 7.684 8.453 ( -5.755 0.000 6.416) 8.619 8.811 ( 6.660 -0.000 -0.921) 6.723 10.789 ( 2.995 -0.000 -3.680) 4.745 11.079 ( -5.041 0.000 2.663) 5.702 15.287 ( 4.496 -0.000 -6.063) 7.548 15.606 ( -10.127 0.000 -13.092) 16.552 16.461 ( 13.930 -0.000 10.705) 17.568 16.804 ( -1.627 0.000 1.126) 1.978 19.554 ( -5.594 0.000 -1.844) 5.890 20.230 ( 3.050 -0.000 0.151) 3.054 ======================= Grid point 450 (232/282) ======================= q-point: ( 0.50 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -1.931 -7.999 4.031) 9.163 2.022 ( -2.122 0.120 -1.278) 2.480 2.193 ( -1.267 1.213 -6.610) 6.839 2.253 ( 4.672 1.860 2.620) 5.670 2.393 ( 8.243 -3.695 1.966) 9.245 2.501 ( 1.787 2.880 -2.173) 4.026 3.125 ( -8.480 -3.314 -14.489) 17.112 3.486 ( -3.895 1.468 7.864) 8.897 3.786 ( 20.639 -1.979 9.608) 22.852 4.124 ( -9.737 -12.111 7.348) 17.190 4.300 ( -9.346 6.327 7.631) 13.624 4.732 ( -4.497 1.199 1.241) 4.817 4.780 ( 1.134 1.155 -12.252) 12.358 4.988 ( 10.869 -5.848 -11.097) 16.597 5.497 ( -4.275 -9.302 -17.676) 20.426 5.905 ( -1.261 -2.693 -6.505) 7.152 6.877 ( 4.393 -3.802 -1.083) 5.910 7.512 ( -1.884 0.063 -9.672) 9.854 7.675 ( 4.394 1.941 -0.079) 4.805 8.164 ( -11.012 0.212 6.154) 12.616 8.441 ( -1.220 0.873 3.793) 4.079 8.870 ( 8.988 0.836 -2.753) 9.438 10.792 ( 0.578 -0.296 -1.323) 1.474 11.036 ( -5.315 1.233 2.298) 5.921 15.344 ( 1.340 -5.763 -4.855) 7.653 15.503 ( -3.942 -8.142 -11.419) 14.568 16.617 ( 7.776 4.173 9.182) 12.736 16.779 ( 0.945 1.864 1.473) 2.557 19.483 ( -6.025 -0.169 -2.259) 6.437 20.264 ( 3.080 -0.282 0.237) 3.102 ======================= Grid point 451 (233/282) ======================= q-point: (-0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -2.970 -7.691 2.758) 8.694 2.007 ( -2.076 -2.813 1.161) 3.684 2.166 ( 3.004 -0.820 -4.169) 5.203 2.294 ( 4.139 0.966 2.293) 4.829 2.446 ( 0.764 2.100 -0.933) 2.422 2.516 ( 6.938 -1.371 -3.569) 7.922 3.029 ( -10.968 -3.265 -3.089) 11.853 3.440 ( -3.116 4.913 4.225) 7.190 3.977 ( 7.653 1.793 2.981) 8.407 4.209 ( 3.984 2.812 -0.424) 4.895 4.370 ( -8.855 -16.311 10.304) 21.228 4.651 ( -10.259 -5.312 -6.796) 13.403 4.760 ( 5.202 0.017 -1.005) 5.298 5.058 ( 2.640 -3.667 -8.664) 9.771 5.569 ( -1.316 -13.451 -9.447) 16.490 5.935 ( -2.627 -7.390 -2.158) 8.135 6.999 ( 1.262 -6.271 2.010) 6.705 7.442 ( -0.525 -1.909 -11.434) 11.604 7.644 ( -1.961 3.429 1.554) 4.245 8.086 ( -12.345 0.725 7.203) 14.312 8.457 ( 4.578 1.842 1.664) 5.208 8.902 ( 9.048 3.101 -4.687) 10.652 10.792 ( -3.443 -1.443 1.190) 3.918 10.974 ( -4.177 2.401 2.609) 5.479 15.387 ( -2.210 -5.569 -3.317) 6.849 15.678 ( 3.409 -18.136 -7.863) 20.059 16.562 ( -1.310 9.852 6.060) 11.641 16.807 ( 4.245 1.655 1.753) 4.881 19.425 ( -4.756 -0.563 -0.926) 4.878 20.297 ( 2.330 -0.497 0.047) 2.383 ======================= Grid point 452 (234/282) ======================= q-point: (-0.30 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -3.674 -5.685 2.775) 7.316 2.105 ( -0.742 -7.180 2.147) 7.531 2.186 ( 2.021 -0.360 -1.163) 2.359 2.311 ( 1.397 0.940 0.258) 1.704 2.449 ( 3.958 0.068 -1.057) 4.097 2.529 ( 3.135 0.951 -6.606) 7.374 2.947 ( -9.913 2.316 3.894) 10.899 3.369 ( 2.111 3.036 -2.162) 4.283 3.989 ( 2.349 0.460 -1.433) 2.790 4.108 ( -5.255 5.682 -9.315) 12.111 4.538 ( 1.832 -3.367 0.681) 3.893 4.738 ( -11.000 -15.310 4.089) 19.290 4.812 ( -1.090 -3.010 3.496) 4.740 5.128 ( 6.273 -5.304 -1.264) 8.312 5.742 ( -2.437 -12.231 -0.487) 12.481 6.086 ( -2.120 -14.185 0.835) 14.367 7.084 ( -3.760 -1.018 5.726) 6.925 7.384 ( -2.689 -0.179 -11.654) 11.962 7.615 ( -0.998 -4.148 0.495) 4.295 8.023 ( -10.622 -0.950 7.195) 12.865 8.473 ( 8.260 4.549 -0.117) 9.430 8.865 ( 7.803 6.698 -6.445) 12.136 10.792 ( -7.047 -2.882 2.985) 8.178 10.928 ( -1.914 2.166 4.287) 5.170 15.472 ( 1.611 -6.393 -0.436) 6.607 15.983 ( 3.468 -18.863 -5.564) 19.970 16.411 ( -3.152 9.817 6.079) 11.969 16.784 ( -0.211 3.831 -1.190) 4.017 19.400 ( -2.887 -0.712 1.011) 3.140 20.323 ( 1.440 -0.485 -0.299) 1.549 ======================= Grid point 453 (235/282) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -3.534 -5.400 0.316) 6.461 2.159 ( -4.454 0.371 1.930) 4.868 2.250 ( 1.282 -5.242 1.075) 5.502 2.308 ( -0.407 0.973 0.848) 1.353 2.408 ( -1.539 3.828 -4.140) 5.845 2.521 ( 4.941 2.090 -1.338) 5.529 2.858 ( -3.508 -2.907 -5.865) 7.427 3.325 ( 10.469 7.675 -5.309) 14.025 3.864 ( -16.872 0.012 -13.225) 21.438 4.015 ( 0.185 -2.952 -2.021) 3.582 4.586 ( -0.645 -2.924 0.706) 3.076 4.857 ( 6.112 0.681 6.613) 9.031 4.920 ( -8.145 -8.755 5.671) 13.234 5.303 ( 9.025 -4.257 4.718) 11.038 5.888 ( -5.948 -7.115 6.797) 11.498 6.336 ( -1.502 -16.522 -1.319) 16.642 7.018 ( -9.606 5.067 3.389) 11.377 7.275 ( -3.426 0.393 -3.581) 4.972 7.752 ( 0.612 -8.857 1.726) 9.044 8.027 ( -6.787 -6.323 2.196) 9.533 8.456 ( 9.725 7.681 -0.880) 12.423 8.744 ( 6.455 9.870 -7.853) 14.169 10.798 ( -7.103 -3.241 4.042) 8.792 10.929 ( -0.728 0.578 6.121) 6.191 15.605 ( 5.892 -4.205 1.543) 7.401 16.223 ( -1.845 -6.378 0.516) 6.660 16.309 ( 0.672 -0.022 1.922) 2.036 16.674 ( -4.771 3.973 -2.957) 6.876 19.403 ( -1.331 -0.872 1.760) 2.373 20.335 ( 0.652 0.018 -0.363) 0.746 ======================= Grid point 454 (236/282) ======================= q-point: (-0.10 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -5.327 5.105 1.129) 7.464 2.112 ( -3.195 -4.229 -2.433) 5.832 2.244 ( -0.869 3.239 -0.925) 3.479 2.318 ( -3.229 -3.602 -1.421) 5.042 2.333 ( -2.097 2.962 1.389) 3.886 2.507 ( 3.410 3.394 1.935) 5.186 2.928 ( 3.423 -11.975 -15.238) 19.680 3.247 ( 10.732 9.590 -2.709) 14.645 3.642 ( -18.242 -7.209 -18.699) 27.099 4.037 ( -2.117 -2.559 -3.123) 4.558 4.659 ( 1.979 -2.641 4.076) 5.244 4.914 ( 1.310 2.368 3.479) 4.407 5.013 ( 2.722 -0.719 9.791) 10.188 5.469 ( 8.625 0.914 8.798) 12.354 5.940 ( -4.050 0.936 8.137) 9.137 6.513 ( -0.977 -7.160 -5.882) 9.317 6.844 ( -10.126 1.117 -4.282) 11.051 7.283 ( -5.026 -4.669 5.117) 8.559 7.876 ( -3.086 -2.631 10.215) 10.990 8.123 ( -0.384 -9.313 -8.614) 12.692 8.392 ( 6.478 8.152 0.835) 10.446 8.599 ( 7.838 8.045 -7.542) 13.530 10.815 ( -5.010 -2.417 3.912) 6.801 10.969 ( -0.238 -0.548 6.697) 6.724 15.717 ( 8.789 1.391 2.721) 9.305 16.236 ( -4.995 -2.803 6.532) 8.688 16.329 ( 2.448 6.106 -4.163) 7.785 16.585 ( -7.008 -3.757 -2.892) 8.461 19.428 ( 0.080 -1.660 1.152) 2.022 20.328 ( -0.223 1.041 0.034) 1.065 ======================= Grid point 460 (237/282) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -3.795 0.000 5.259) 6.486 1.987 ( -5.145 0.000 0.170) 5.148 2.153 ( 2.746 -0.000 -7.180) 7.687 2.341 ( 3.811 -0.000 2.661) 4.648 2.466 ( 10.273 -0.000 2.030) 10.472 2.512 ( -0.398 0.000 -3.788) 3.809 2.887 ( -10.626 0.000 -13.523) 17.198 3.491 ( -5.399 0.000 7.762) 9.455 3.966 ( -10.438 0.000 7.399) 12.795 4.025 ( 14.810 -0.000 5.898) 15.941 4.276 ( -21.321 0.000 14.985) 26.060 4.603 ( -11.044 0.000 -2.171) 11.255 4.849 ( 9.295 -0.000 -5.347) 10.723 5.004 ( 19.434 -0.000 -15.194) 24.668 5.254 ( -3.781 0.000 -15.799) 16.245 5.824 ( -2.737 0.000 -4.522) 5.286 6.850 ( 0.149 -0.000 -1.622) 1.629 7.431 ( -1.735 0.000 -9.082) 9.246 7.701 ( -3.419 0.000 1.261) 3.644 8.112 ( -12.521 0.000 10.039) 16.049 8.475 ( 4.522 -0.000 0.801) 4.593 8.941 ( 10.057 -0.000 -5.443) 11.435 10.770 ( -4.118 0.000 0.361) 4.134 11.027 ( -2.593 0.000 2.839) 3.845 15.290 ( 4.567 -0.000 -6.179) 7.684 15.328 ( -2.809 0.000 -8.123) 8.595 16.790 ( 6.620 -0.000 6.487) 9.269 16.792 ( -1.370 0.000 1.363) 1.933 19.409 ( -5.978 0.000 -1.072) 6.073 20.290 ( 2.972 -0.000 -0.693) 3.052 ======================= Grid point 461 (238/282) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -5.617 -7.534 4.100) 10.253 1.943 ( -5.978 -1.490 1.785) 6.415 2.163 ( 6.038 -0.470 -4.797) 7.726 2.361 ( 0.796 1.188 -0.265) 1.454 2.459 ( -0.231 0.825 -6.055) 6.115 2.555 ( 7.043 1.339 0.018) 7.169 2.806 ( -6.649 -7.632 -3.100) 10.587 3.488 ( -7.081 1.603 8.529) 11.201 3.997 ( -11.310 -4.245 4.185) 12.785 4.089 ( -10.377 -8.135 3.457) 13.631 4.163 ( -18.598 -1.578 11.319) 21.829 4.571 ( 6.284 1.071 -0.931) 6.442 4.894 ( 12.941 2.537 -4.869) 14.057 4.997 ( 6.108 2.082 -13.835) 15.265 5.295 ( 3.455 -12.240 -7.193) 14.612 5.800 ( -3.927 -3.568 -1.032) 5.405 6.878 ( -3.421 -6.213 -0.794) 7.137 7.363 ( -0.804 0.205 -6.719) 6.770 7.636 ( -9.417 1.099 1.710) 9.634 8.057 ( -12.388 1.293 12.080) 17.351 8.540 ( 9.269 0.309 -1.141) 9.344 8.982 ( 9.421 1.152 -7.513) 12.105 10.725 ( -8.422 -0.969 2.307) 8.786 11.017 ( -0.458 2.284 3.530) 4.230 15.295 ( 2.098 -2.984 -2.155) 4.237 15.406 ( 4.299 -11.978 -7.561) 14.803 16.726 ( -1.291 6.943 3.251) 7.775 16.856 ( 0.778 0.513 0.004) 0.932 19.368 ( -4.164 -0.902 1.646) 4.568 20.309 ( 2.145 -0.256 -1.485) 2.621 ======================= Grid point 462 (239/282) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -7.057 -7.852 2.638) 10.882 1.967 ( -6.587 -6.424 2.638) 9.572 2.198 ( 5.387 -0.310 -3.349) 6.351 2.335 ( 0.895 0.520 -2.396) 2.610 2.429 ( 0.286 -2.640 -6.890) 7.384 2.553 ( 3.817 4.121 -3.010) 6.373 2.914 ( -2.327 -5.451 7.089) 9.240 3.393 ( -9.804 4.851 8.140) 13.635 3.849 ( -20.529 -1.044 -5.120) 21.184 4.112 ( -4.638 -3.571 1.055) 5.947 4.342 ( -12.536 -20.850 10.384) 26.452 4.545 ( 4.779 6.796 -5.627) 10.034 4.888 ( 7.464 2.996 -0.849) 8.087 5.092 ( 10.389 -8.222 -2.347) 13.455 5.504 ( 1.498 -12.870 -2.454) 13.188 5.864 ( -4.826 -9.122 2.027) 10.518 6.952 ( -8.402 -8.529 -0.700) 11.992 7.317 ( -0.058 1.009 -3.311) 3.462 7.548 ( -7.530 -1.081 1.008) 7.674 8.002 ( -11.444 1.738 13.003) 17.409 8.608 ( 10.907 1.885 -2.797) 11.416 8.972 ( 7.819 3.661 -8.760) 12.299 10.687 ( -9.735 -2.703 4.024) 10.876 10.994 ( -0.451 3.180 4.928) 5.882 15.410 ( 6.249 -5.759 1.897) 8.707 15.661 ( 4.537 -18.799 -6.510) 20.405 16.589 ( -2.411 10.171 4.105) 11.230 16.794 ( -4.662 2.348 -4.612) 6.966 19.376 ( -2.252 -0.961 4.030) 4.716 20.321 ( 1.435 -0.622 -1.891) 2.454 ======================= Grid point 463 (240/282) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -7.458 -6.627 2.191) 10.215 2.039 ( -7.073 -8.411 0.501) 11.001 2.226 ( 2.152 0.438 0.163) 2.202 2.337 ( 1.614 0.011 -0.531) 1.699 2.441 ( 1.310 2.942 -9.868) 10.380 2.474 ( 3.166 -3.205 -6.276) 7.725 2.910 ( -4.262 8.272 8.105) 12.340 3.344 ( -8.571 -3.263 1.773) 9.341 3.642 ( -15.187 -0.759 -5.724) 16.247 4.069 ( 10.608 8.828 -12.829) 18.843 4.473 ( -7.812 -6.743 4.200) 11.142 4.652 ( -11.575 -17.804 10.826) 23.836 4.952 ( 6.024 -0.910 3.876) 7.221 5.354 ( 13.073 -7.386 5.479) 15.984 5.701 ( -3.064 -12.297 1.791) 12.799 6.026 ( -5.451 -14.645 -0.053) 15.627 6.925 ( -14.316 -2.426 -2.992) 14.825 7.288 ( 0.211 2.399 3.382) 4.152 7.596 ( -0.199 -9.361 -1.345) 9.459 7.962 ( -10.473 0.725 12.500) 16.323 8.639 ( 10.949 4.316 -4.097) 12.461 8.884 ( 5.842 7.317 -9.525) 13.356 10.692 ( -8.246 -4.460 5.370) 10.804 10.980 ( -1.307 1.844 6.448) 6.833 15.607 ( 9.550 -6.045 3.525) 11.840 15.983 ( 3.821 -18.382 -4.377) 19.279 16.422 ( -3.370 9.217 4.250) 10.695 16.647 ( -8.368 3.253 -5.698) 10.634 19.398 ( -1.435 -0.269 4.138) 4.388 20.332 ( 1.072 -0.681 -1.585) 2.031 ======================= Grid point 464 (241/282) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -8.729 -4.745 1.057) 9.992 2.096 ( -2.113 -4.181 -3.459) 5.823 2.211 ( -5.432 1.432 4.914) 7.464 2.304 ( 0.157 4.241 -4.971) 6.536 2.346 ( 1.105 0.378 -0.593) 1.310 2.591 ( 7.643 -5.422 -5.607) 10.920 2.787 ( 1.225 3.976 -1.918) 4.581 3.226 ( -18.820 -4.157 -11.636) 22.513 3.520 ( 9.581 10.406 -6.041) 15.381 3.964 ( -0.815 -0.117 -4.494) 4.568 4.596 ( -3.461 -8.137 6.174) 10.784 4.851 ( -7.141 -10.017 6.441) 13.887 5.072 ( 3.986 -2.868 6.592) 8.220 5.613 ( 9.781 -2.679 11.355) 15.225 5.879 ( -2.463 -9.433 5.357) 11.124 6.204 ( -6.730 -15.709 -6.592) 18.318 6.771 ( -10.984 1.721 -4.044) 11.831 7.278 ( -2.093 2.371 7.748) 8.368 7.791 ( 1.962 -12.673 -1.397) 12.900 7.957 ( -8.301 -2.203 9.645) 12.914 8.604 ( 7.691 8.584 -3.684) 12.100 8.737 ( 6.313 7.699 -10.154) 14.221 10.740 ( -5.792 -4.497 5.708) 9.292 10.998 ( -1.715 -0.174 6.776) 6.992 15.815 ( 11.021 -3.635 3.422) 12.099 16.199 ( -1.882 -4.245 0.952) 4.740 16.341 ( 0.856 -2.198 0.338) 2.383 16.468 ( -10.046 2.999 -4.065) 11.244 19.414 ( -0.953 -0.536 2.398) 2.636 20.338 ( 0.541 0.108 -0.629) 0.837 ======================= Grid point 471 (242/282) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -9.221 0.000 4.300) 10.175 1.875 ( -9.008 0.000 3.742) 9.755 2.212 ( 8.518 -0.000 -1.708) 8.688 2.320 ( -6.648 0.000 -1.670) 6.855 2.403 ( 0.667 -0.000 -11.056) 11.077 2.652 ( 7.430 -0.000 -0.666) 7.460 2.706 ( -0.041 0.000 3.862) 3.862 3.486 ( -7.726 0.000 9.677) 12.382 3.852 ( -23.758 0.000 -6.276) 24.573 3.869 ( -13.011 0.000 11.226) 17.184 4.030 ( -24.879 0.000 16.513) 29.861 4.698 ( 12.906 -0.000 1.599) 13.004 4.888 ( 5.056 -0.000 -11.115) 12.211 5.119 ( 3.229 -0.000 0.171) 3.234 5.175 ( 16.791 -0.000 -13.325) 21.436 5.734 ( -4.275 0.000 1.304) 4.469 6.759 ( -8.171 0.000 -0.763) 8.206 7.334 ( 0.252 -0.000 -1.726) 1.744 7.543 ( -13.287 0.000 2.025) 13.441 8.039 ( -12.302 0.000 13.765) 18.462 8.629 ( 11.210 -0.000 -2.677) 11.525 9.022 ( 9.087 -0.000 -9.458) 13.116 10.643 ( -11.014 0.000 3.968) 11.707 11.067 ( 1.005 -0.000 3.870) 3.999 15.293 ( 4.617 -0.000 -6.335) 7.839 15.310 ( 6.697 -0.000 0.281) 6.703 16.790 ( -1.043 0.000 1.735) 2.024 16.830 ( -4.542 0.000 -4.650) 6.500 19.353 ( -2.220 0.000 5.202) 5.656 20.309 ( 1.436 -0.000 -2.681) 3.041 ======================= Grid point 472 (243/282) ======================= q-point: (-0.30 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -11.580 -7.958 4.391) 14.721 1.829 ( -12.396 -2.871 5.668) 13.929 2.236 ( 2.499 0.950 -1.427) 3.031 2.314 ( -1.342 -2.896 -1.859) 3.694 2.341 ( 5.695 0.910 -8.976) 10.668 2.650 ( 3.944 4.675 -4.409) 7.540 2.844 ( 2.691 -8.548 7.978) 11.998 3.447 ( -12.151 4.546 12.411) 17.954 3.575 ( -24.525 -0.824 -6.059) 25.276 3.890 ( -18.104 -9.990 14.225) 25.098 4.023 ( -14.602 -12.171 12.267) 22.624 4.747 ( 10.632 9.073 -5.464) 15.007 4.933 ( 5.469 -4.759 -5.940) 9.373 5.078 ( 11.059 1.600 -3.833) 11.813 5.358 ( 6.001 -8.743 -0.988) 10.651 5.733 ( -5.196 -3.382 3.823) 7.284 6.714 ( -12.154 -6.177 -0.902) 13.664 7.340 ( 1.122 0.754 2.817) 3.124 7.443 ( -11.118 -1.681 1.566) 11.353 8.008 ( -12.058 1.010 13.854) 18.395 8.708 ( 10.799 0.599 -4.133) 11.578 9.025 ( 8.072 1.633 -10.102) 13.034 10.581 ( -11.158 -1.748 5.641) 12.625 11.078 ( 0.328 2.828 4.411) 5.250 15.398 ( 4.826 -11.840 -7.015) 14.584 15.439 ( 10.926 -3.512 5.068) 12.546 16.696 ( -9.128 2.187 -9.565) 13.401 16.742 ( -2.138 5.195 2.423) 6.118 19.388 ( -0.859 -0.378 7.357) 7.416 20.305 ( 1.120 -0.606 -3.158) 3.405 ======================= Grid point 473 (244/282) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -10.823 -9.431 6.108) 15.601 1.821 ( -12.999 -7.608 5.237) 15.946 2.251 ( 2.263 -0.683 -2.133) 3.183 2.323 ( 3.532 -4.079 -9.394) 10.834 2.361 ( 5.129 1.018 -1.253) 5.377 2.536 ( 0.756 6.737 -5.677) 8.842 2.999 ( -2.382 -0.045 2.527) 3.473 3.272 ( -19.276 7.267 12.522) 24.107 3.434 ( -10.102 -8.277 2.322) 13.265 4.072 ( -3.904 -14.098 3.418) 15.023 4.234 ( -12.680 -17.443 10.598) 24.028 4.545 ( 3.396 14.311 -6.243) 15.978 4.999 ( 4.037 -1.263 2.080) 4.713 5.319 ( 13.337 -15.154 -1.970) 20.283 5.532 ( -0.301 -6.875 5.929) 9.084 5.796 ( -6.714 -7.412 4.232) 10.859 6.681 ( -15.103 -6.121 -2.311) 16.459 7.368 ( 1.347 1.468 7.073) 7.348 7.440 ( -4.183 -6.628 -0.235) 7.841 7.966 ( -11.800 1.136 13.036) 17.620 8.752 ( 9.683 1.855 -5.909) 11.494 8.974 ( 6.166 4.828 -10.056) 12.745 10.576 ( -9.099 -4.289 7.037) 12.276 11.051 ( -1.710 3.312 5.755) 6.857 15.611 ( 8.246 -10.393 -3.984) 13.853 15.720 ( 10.091 -13.255 4.215) 17.184 16.480 ( -11.671 2.830 -10.310) 15.827 16.626 ( -3.625 7.644 3.570) 9.182 19.427 ( -1.100 0.715 6.666) 6.794 20.312 ( 1.307 -1.266 -2.793) 3.333 ======================= Grid point 474 (245/282) ======================= q-point: (-0.10 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -11.392 -6.685 6.468) 14.707 1.917 ( -7.007 -8.979 3.727) 11.984 2.265 ( 2.637 0.306 -1.293) 2.953 2.315 ( 0.836 3.079 -3.540) 4.765 2.407 ( 2.046 4.890 -1.948) 5.647 2.463 ( 8.737 -9.316 -8.857) 15.542 2.880 ( -4.783 5.131 -4.262) 8.208 3.058 ( -13.122 7.408 7.044) 16.634 3.600 ( -0.832 -8.590 7.845) 11.663 4.053 ( 10.632 14.797 -20.074) 27.110 4.426 ( -7.687 -11.748 9.676) 17.051 4.568 ( -12.439 -18.375 12.390) 25.414 5.096 ( 3.214 -2.833 5.012) 6.594 5.661 ( -6.181 -6.731 8.835) 12.711 5.717 ( 13.776 -16.488 -0.213) 21.486 5.886 ( -8.124 -8.479 3.376) 12.219 6.611 ( -11.670 -4.021 -2.916) 12.683 7.386 ( -0.131 3.945 8.855) 9.695 7.579 ( 0.599 -11.871 -0.964) 11.925 7.935 ( -10.356 -0.540 11.909) 15.792 8.744 ( 7.549 4.071 -7.208) 11.204 8.848 ( 4.723 7.907 -10.138) 13.697 10.639 ( -6.285 -5.833 7.492) 11.387 11.028 ( -3.338 1.405 6.651) 7.573 15.833 ( 8.606 -8.657 -2.080) 12.383 16.045 ( 5.278 -12.004 0.313) 13.117 16.290 ( -8.287 -0.433 -5.469) 9.938 16.482 ( -4.386 8.022 4.388) 10.141 19.432 ( -1.636 1.394 4.401) 4.898 20.329 ( 1.153 -1.143 -1.862) 2.470 ======================= Grid point 482 (246/282) ======================= q-point: (-0.30 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -14.076 0.000 7.763) 16.075 1.708 ( -17.818 0.000 8.747) 19.849 2.224 ( -3.776 0.000 3.363) 5.057 2.261 ( 4.791 -0.000 -9.927) 11.023 2.443 ( 12.086 -0.000 -0.165) 12.087 2.709 ( 4.197 -0.000 -6.852) 8.036 2.801 ( -0.895 0.000 7.333) 7.387 3.300 ( -22.066 0.000 -4.968) 22.618 3.457 ( -10.716 0.000 12.263) 16.285 3.778 ( -15.607 0.000 15.788) 22.200 3.809 ( -23.614 0.000 20.120) 31.023 4.855 ( 8.038 -0.000 -9.250) 12.255 4.938 ( 8.681 -0.000 2.685) 9.087 5.231 ( 9.849 -0.000 -15.097) 18.026 5.280 ( 4.662 -0.000 8.102) 9.348 5.695 ( -4.497 0.000 5.144) 6.833 6.539 ( -13.834 0.000 1.755) 13.945 7.323 ( -11.574 0.000 1.953) 11.738 7.393 ( 1.635 -0.000 6.398) 6.603 7.988 ( -12.589 0.000 12.564) 17.785 8.777 ( 9.157 -0.000 -5.153) 10.507 9.046 ( 7.920 -0.000 -10.376) 13.053 10.504 ( -10.842 0.000 7.545) 13.209 11.134 ( 0.276 -0.000 3.181) 3.193 15.294 ( 4.605 -0.000 -6.489) 7.957 15.576 ( 14.785 -0.000 7.443) 16.553 16.510 ( -14.227 0.000 -13.599) 19.681 16.798 ( -0.798 0.000 2.088) 2.235 19.438 ( -0.409 0.000 8.763) 8.773 20.286 ( 1.217 -0.000 -3.627) 3.826 ======================= Grid point 483 (247/282) ======================= q-point: (-0.20 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -11.982 -9.479 10.671) 18.635 1.632 ( -17.183 -4.117 10.869) 20.745 2.222 ( -0.794 -0.469 -0.130) 0.931 2.283 ( 7.703 -1.990 -5.804) 9.848 2.486 ( 7.647 5.219 0.147) 9.259 2.599 ( 0.172 6.406 -6.559) 9.170 2.951 ( -0.975 -4.037 1.582) 4.444 3.156 ( -12.853 -9.540 2.698) 16.232 3.379 ( -14.113 6.916 15.167) 21.842 3.774 ( -15.248 -12.501 15.707) 25.209 3.930 ( -15.111 -14.495 15.999) 26.352 4.814 ( 9.268 12.640 -10.295) 18.753 5.025 ( 2.910 -1.143 2.714) 4.140 5.186 ( 9.242 -5.722 -8.304) 13.679 5.485 ( 1.589 -7.965 7.140) 10.815 5.703 ( -4.800 -1.875 6.172) 8.040 6.466 ( -11.944 -3.213 3.575) 12.875 7.285 ( -7.211 -5.479 1.632) 9.202 7.455 ( 1.270 0.581 8.797) 8.907 7.941 ( -12.716 0.417 10.775) 16.672 8.810 ( 7.281 0.629 -6.743) 9.944 9.026 ( 6.357 2.554 -10.304) 12.373 10.487 ( -8.559 -2.530 9.313) 12.900 11.122 ( -1.647 2.989 3.324) 4.764 15.394 ( 4.851 -11.491 -7.180) 14.392 15.803 ( 15.098 -2.956 7.544) 17.135 16.276 ( -14.510 -0.416 -12.401) 19.092 16.754 ( -1.313 5.961 3.029) 6.814 19.480 ( -1.514 0.904 7.495) 7.699 20.284 ( 1.665 -1.016 -3.406) 3.925 ======================= Grid point 484 (248/282) ======================= q-point: (-0.10 -0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -11.099 -7.642 11.327) 17.603 1.735 ( -6.839 -11.346 10.892) 17.150 2.240 ( 2.708 -2.209 -2.655) 4.389 2.360 ( 9.230 -1.174 -5.994) 11.068 2.438 ( 0.428 5.255 -0.462) 5.292 2.478 ( 2.013 3.185 -4.846) 6.139 2.897 ( 1.182 3.908 -1.190) 4.253 3.175 ( -12.393 8.380 16.128) 21.998 3.412 ( -6.560 -14.787 9.336) 18.678 4.037 ( -3.103 -17.578 0.583) 17.859 4.159 ( -12.103 -16.463 12.895) 24.162 4.523 ( 2.929 17.447 -3.976) 18.132 5.097 ( 0.763 -3.132 3.092) 4.467 5.432 ( 6.070 -16.636 -6.788) 18.965 5.605 ( -6.083 -2.920 6.127) 9.115 5.792 ( -2.403 -8.443 8.959) 12.542 6.461 ( -5.212 -2.681 5.390) 7.962 7.383 ( -1.506 -9.781 -0.099) 9.897 7.515 ( 0.408 1.282 11.324) 11.404 7.889 ( -11.793 -0.552 9.242) 14.993 8.798 ( 5.194 1.908 -8.671) 10.286 8.939 ( 4.510 5.775 -10.324) 12.660 10.548 ( -5.655 -4.839 9.991) 12.459 11.069 ( -4.120 2.899 4.822) 6.973 15.629 ( 5.192 -16.116 -7.751) 18.621 15.929 ( -7.412 -3.368 -7.548) 11.102 16.218 ( 7.866 -3.657 4.797) 9.912 16.633 ( -2.472 9.161 4.534) 10.516 19.476 ( -2.773 2.058 5.227) 6.264 20.302 ( 1.688 -1.622 -2.806) 3.654 ======================= Grid point 493 (249/282) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -9.504 0.000 14.477) 17.318 1.531 ( -13.904 0.000 15.051) 20.491 2.227 ( -1.329 0.000 2.731) 3.037 2.310 ( 9.864 -0.000 -5.386) 11.238 2.531 ( 2.483 -0.000 -8.125) 8.496 2.767 ( 3.955 -0.000 0.568) 3.996 2.841 ( -6.178 0.000 9.135) 11.028 2.976 ( -2.173 0.000 -2.019) 2.966 3.421 ( -9.971 0.000 11.856) 15.491 3.698 ( -19.749 0.000 24.933) 31.807 3.707 ( -15.917 0.000 18.439) 24.358 4.945 ( 11.593 -0.000 -6.113) 13.106 5.020 ( -2.444 0.000 -1.858) 3.070 5.231 ( 8.283 -0.000 -8.621) 11.955 5.388 ( -5.777 0.000 4.514) 7.331 5.708 ( -0.599 0.000 4.320) 4.361 6.418 ( -4.076 0.000 10.723) 11.471 7.176 ( -7.553 0.000 3.913) 8.507 7.532 ( 0.584 -0.000 10.117) 10.134 7.891 ( -12.297 0.000 9.019) 15.249 8.822 ( 4.875 -0.000 -8.227) 9.563 9.033 ( 5.129 -0.000 -10.626) 11.799 10.466 ( -6.268 0.000 11.531) 13.125 11.146 ( -2.344 0.000 1.248) 2.655 15.293 ( 4.532 -0.000 -6.601) 8.007 15.876 ( -5.223 0.000 -7.498) 9.138 16.152 ( 6.823 -0.000 3.066) 7.480 16.814 ( -0.729 0.000 2.281) 2.395 19.514 ( -3.261 0.000 6.228) 7.030 20.270 ( 2.095 -0.000 -3.410) 4.002 ======================= Grid point 494 (250/282) ======================= q-point: (-0.10 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -5.446 -6.439 13.856) 16.220 1.595 ( -5.798 -7.275 14.863) 17.534 2.232 ( 1.452 -0.539 -0.588) 1.656 2.368 ( 4.935 -2.151 -7.087) 8.900 2.502 ( 2.694 2.279 -3.982) 5.321 2.568 ( -0.196 10.171 -1.107) 10.233 2.997 ( 1.844 -2.719 4.892) 5.893 3.121 ( 1.537 -12.238 10.885) 16.451 3.350 ( -11.151 7.057 16.667) 21.258 3.720 ( -10.893 -12.511 12.538) 20.794 3.891 ( -13.624 -14.242 19.342) 27.614 4.823 ( 4.076 15.098 -8.288) 17.699 5.066 ( -1.046 -0.559 1.179) 1.672 5.216 ( 5.539 -8.595 -8.246) 13.136 5.483 ( -8.005 -9.863 1.106) 12.751 5.722 ( -0.892 -0.107 3.422) 3.538 6.506 ( 3.523 -0.859 13.416) 13.898 7.218 ( -3.814 -7.482 4.896) 9.721 7.605 ( -0.213 0.042 11.409) 11.411 7.836 ( -10.553 0.316 8.010) 13.252 8.792 ( 2.708 0.573 -10.149) 10.519 8.978 ( 3.740 2.864 -10.900) 11.875 10.520 ( -3.708 -2.271 12.446) 13.184 11.100 ( -4.215 2.507 1.888) 5.255 15.387 ( 4.633 -11.150 -7.213) 14.065 15.703 ( -13.524 -1.896 -11.367) 17.769 16.351 ( 16.272 -1.650 8.327) 18.353 16.770 ( -1.336 6.011 3.061) 6.877 19.499 ( -5.093 1.014 4.295) 6.739 20.278 ( 2.300 -1.022 -2.962) 3.887 ======================= Grid point 504 (251/282) ======================= q-point: (-0.10 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -1.564 0.000 15.868) 15.945 1.598 ( -1.223 0.000 12.166) 12.228 2.223 ( -0.737 0.000 -0.951) 1.203 2.325 ( 3.465 -0.000 -9.413) 10.031 2.512 ( -2.851 0.000 -3.941) 4.865 2.692 ( 4.597 -0.000 -6.589) 8.034 2.848 ( -7.975 0.000 13.412) 15.604 3.299 ( 18.278 -0.000 15.832) 24.181 3.399 ( -5.981 0.000 7.257) 9.404 3.684 ( -11.210 0.000 16.868) 20.253 3.741 ( -13.709 0.000 28.925) 32.009 4.866 ( -5.899 0.000 -7.657) 9.666 5.102 ( 12.466 -0.000 -6.529) 14.072 5.204 ( -13.985 0.000 2.340) 14.179 5.241 ( 3.058 -0.000 -5.992) 6.727 5.740 ( 0.243 -0.000 -2.339) 2.351 6.612 ( 4.674 -0.000 8.658) 9.839 7.192 ( -1.380 0.000 14.322) 14.388 7.670 ( -1.310 0.000 10.477) 10.559 7.811 ( -7.452 0.000 8.818) 11.545 8.736 ( 0.596 -0.000 -12.099) 12.114 8.960 ( 3.360 -0.000 -11.163) 11.658 10.566 ( -1.821 0.000 13.473) 13.595 11.087 ( -4.563 0.000 0.431) 4.583 15.289 ( 4.451 -0.000 -6.619) 7.976 15.497 ( -10.338 0.000 -9.866) 14.291 16.545 ( 15.166 -0.000 6.855) 16.643 16.830 ( -0.836 0.000 2.250) 2.401 19.470 ( -7.266 0.000 2.986) 7.856 20.276 ( 2.805 -0.000 -2.492) 3.752 ======================= Grid point 505 (252/282) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.000 -0.000 0.000) 0.000 1.866 ( -0.000 0.000 0.000) 0.000 2.090 ( 0.000 -0.000 0.000) 0.000 2.201 ( -0.000 0.000 -0.000) 0.000 2.410 ( 0.000 -0.000 0.000) 0.000 2.602 ( -0.000 0.000 0.000) 0.000 3.222 ( 0.000 -0.000 -0.000) 0.000 3.291 ( -0.000 0.000 0.000) 0.000 3.873 ( -0.000 0.000 0.000) 0.000 4.067 ( -0.000 0.000 -0.000) 0.000 4.394 ( 0.000 -0.000 0.000) 0.000 4.537 ( 0.000 -0.000 -0.000) 0.000 4.862 ( -0.000 0.000 0.000) 0.000 4.945 ( 0.000 -0.000 -0.000) 0.000 5.276 ( -0.000 0.000 0.000) 0.000 5.661 ( -0.000 0.000 0.000) 0.000 6.693 ( 0.000 -0.000 0.000) 0.000 7.805 ( 0.000 -0.000 0.000) 0.000 7.814 ( 0.000 -0.000 0.000) 0.000 8.003 ( -0.000 0.000 0.000) 0.000 8.295 ( -0.000 0.000 -0.000) 0.000 8.746 ( 0.000 -0.000 0.000) 0.000 10.919 ( -0.000 0.000 -0.000) 0.000 10.939 ( 0.000 -0.000 0.000) 0.000 15.217 ( -0.000 0.000 0.000) 0.000 15.231 ( -0.000 0.000 0.000) 0.000 16.825 ( 0.000 -0.000 0.000) 0.000 16.861 ( -0.000 0.000 0.000) 0.000 19.414 ( 0.000 -0.000 0.000) 0.000 20.272 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 507 (253/282) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.543 -1.971 -1.952) 2.827 1.880 ( -1.008 -5.071 -4.821) 7.069 2.109 ( 1.885 -0.305 4.593) 4.974 2.251 ( 0.107 -3.859 0.034) 3.861 2.399 ( -0.053 0.918 0.820) 1.232 2.560 ( -2.355 3.766 1.239) 4.611 3.286 ( 4.351 -5.964 -11.068) 13.304 3.416 ( 1.348 -12.127 6.839) 13.987 3.800 ( -0.985 7.893 -5.257) 9.535 3.991 ( -8.803 -4.058 -12.069) 15.479 4.340 ( -3.881 0.049 -5.150) 6.449 4.580 ( 10.322 1.859 -4.832) 11.547 4.861 ( 2.173 4.900 13.369) 14.403 5.023 ( -4.787 -8.274 7.143) 11.932 5.355 ( 7.528 -6.797 -3.839) 10.845 5.713 ( 4.065 -4.520 -0.672) 6.116 6.791 ( -0.849 -10.743 -0.718) 10.800 7.712 ( -2.413 2.797 -15.942) 16.364 7.817 ( 2.589 -0.551 -1.086) 2.861 7.964 ( -0.689 2.717 -1.329) 3.102 8.368 ( 1.324 -1.531 10.731) 10.920 8.730 ( -0.015 2.931 2.508) 3.858 10.865 ( -1.111 -0.191 -7.641) 7.723 10.987 ( 2.282 0.456 5.240) 5.734 15.286 ( 3.842 -3.373 2.672) 5.769 15.305 ( 1.224 -9.771 -0.424) 9.857 16.784 ( -6.158 0.415 -2.511) 6.663 16.817 ( -0.008 4.640 -0.540) 4.672 19.440 ( 3.292 -0.512 0.926) 3.458 20.269 ( -1.265 -0.491 -0.053) 1.359 ======================= Grid point 508 (254/282) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -0.408 -4.640 -2.473) 5.274 1.958 ( -0.057 -7.992 -3.835) 8.865 2.189 ( 3.854 -0.787 5.822) 7.026 2.286 ( -1.669 -3.003 -3.682) 5.036 2.397 ( -2.191 0.893 3.898) 4.560 2.464 ( -2.644 4.356 -1.387) 5.281 3.284 ( -0.414 4.176 -8.545) 9.520 3.591 ( 0.149 3.225 -4.029) 5.163 3.684 ( -3.186 -7.937 -5.637) 10.243 3.839 ( -7.177 1.441 -9.982) 12.378 4.368 ( 2.208 -9.325 -4.287) 10.498 4.573 ( 5.595 1.129 -3.430) 6.659 4.962 ( 7.819 -1.381 8.490) 11.624 5.218 ( -3.365 -12.161 10.799) 16.608 5.541 ( 10.212 -6.999 -3.838) 12.961 5.889 ( 6.492 -12.377 -3.276) 14.355 6.909 ( -7.146 -7.234 -6.980) 12.333 7.549 ( -1.058 -0.130 -13.221) 13.264 7.865 ( 5.484 -0.044 0.539) 5.511 7.896 ( -0.913 0.300 -6.231) 6.304 8.467 ( 1.344 0.635 11.257) 11.355 8.682 ( -0.533 5.662 5.007) 7.577 10.817 ( -0.376 -1.161 -7.238) 7.340 11.031 ( 2.885 0.596 3.176) 4.332 15.440 ( 7.540 -5.332 4.696) 10.360 15.540 ( 1.482 -16.498 0.097) 16.564 16.667 ( -6.367 3.929 -2.373) 7.849 16.716 ( -3.561 3.948 -2.977) 6.094 19.485 ( 4.245 0.615 0.304) 4.300 20.269 ( -1.826 -1.319 0.571) 2.323 ======================= Grid point 509 (255/282) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.086 -6.385 -1.083) 6.477 2.061 ( -0.641 -6.273 -4.551) 7.777 2.244 ( 1.292 1.781 1.491) 2.658 2.289 ( -2.072 -0.784 4.110) 4.669 2.365 ( -1.181 -0.987 -2.750) 3.151 2.392 ( -2.021 0.859 0.395) 2.231 3.037 ( -7.993 8.959 -11.145) 16.382 3.469 ( -4.029 7.819 -19.138) 21.063 3.526 ( -3.033 12.225 13.690) 18.603 3.844 ( 0.601 -6.925 -7.567) 10.275 4.576 ( 4.082 -11.156 -4.937) 12.864 4.685 ( 6.266 -10.192 -1.250) 12.029 5.123 ( 6.244 -3.068 5.162) 8.663 5.478 ( 2.213 -10.765 10.638) 15.295 5.721 ( 7.476 -8.829 -4.311) 12.346 6.157 ( 5.954 -14.153 -5.612) 16.348 6.765 ( -9.981 3.006 -13.650) 17.174 7.525 ( -2.937 -1.522 -1.279) 3.546 7.824 ( 1.031 -1.371 -8.872) 9.036 7.981 ( 6.093 -4.944 -1.496) 7.987 8.518 ( 1.501 2.990 8.682) 9.304 8.603 ( -1.605 7.543 6.955) 10.385 10.803 ( 0.308 -2.333 -5.276) 5.777 11.066 ( 2.972 0.455 1.253) 3.257 15.652 ( 9.124 -5.851 5.964) 12.372 15.842 ( 1.392 -16.894 0.571) 16.961 16.525 ( -2.996 5.843 -1.283) 6.691 16.585 ( -7.606 2.085 -4.886) 9.277 19.492 ( 3.011 2.297 -1.274) 3.995 20.288 ( -1.442 -1.977 1.423) 2.831 ======================= Grid point 510 (256/282) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -0.286 -3.395 -1.459) 3.707 2.032 ( -2.293 1.100 -3.931) 4.682 2.261 ( -0.099 -3.016 -0.796) 3.121 2.285 ( -0.459 2.022 1.092) 2.343 2.344 ( -1.343 1.921 1.737) 2.917 2.495 ( 1.770 -10.333 4.379) 11.362 2.766 ( -7.285 6.578 -5.958) 11.482 3.141 ( -1.177 11.845 -18.114) 21.675 3.393 ( -4.625 8.999 11.701) 15.469 3.931 ( 3.102 -5.291 -4.173) 7.419 4.702 ( 3.117 -4.452 -3.387) 6.404 4.905 ( 2.407 -8.845 -0.422) 9.177 5.216 ( 1.453 -0.972 1.750) 2.473 5.752 ( 10.155 -7.266 8.694) 15.215 5.924 ( 3.506 -10.895 -1.974) 11.615 6.268 ( -4.787 -1.803 -12.067) 13.106 6.598 ( -2.199 -1.344 -3.675) 4.489 7.456 ( -3.657 4.585 0.904) 5.934 7.855 ( 1.528 -6.750 -8.679) 11.100 8.100 ( 3.767 -3.692 -0.493) 5.297 8.499 ( -0.311 6.956 5.545) 8.901 8.532 ( -0.352 2.778 5.364) 6.051 10.822 ( 0.470 -2.221 -2.465) 3.351 11.087 ( 1.945 0.370 0.147) 1.985 15.867 ( 8.283 -4.728 5.700) 11.111 16.082 ( -0.246 -9.993 -0.396) 10.004 16.412 ( 0.795 5.782 0.059) 5.836 16.456 ( -8.561 -0.607 -4.664) 9.768 19.461 ( 1.302 2.207 -1.556) 2.998 20.318 ( -0.689 -1.503 1.245) 2.070 ======================= Grid point 511 (257/282) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -0.000 0.000 0.000) 0.000 2.016 ( -0.000 0.000 0.000) 0.000 2.268 ( -0.000 -0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 -0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.693 ( -0.000 0.000 -0.000) 0.000 2.892 ( -0.000 0.000 0.000) 0.000 3.333 ( -0.000 0.000 0.000) 0.000 3.982 ( -0.000 0.000 0.000) 0.000 4.742 ( -0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.231 ( -0.000 0.000 0.000) 0.000 5.977 ( 0.000 -0.000 0.000) 0.000 6.041 ( -0.000 0.000 0.000) 0.000 6.103 ( -0.000 0.000 -0.000) 0.000 6.619 ( -0.000 0.000 0.000) 0.000 7.390 ( -0.000 0.000 -0.000) 0.000 7.899 ( -0.000 0.000 0.000) 0.000 8.149 ( -0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 8.527 ( 0.000 0.000 -0.000) 0.000 10.837 ( -0.000 0.000 0.000) 0.000 11.093 ( -0.000 0.000 0.000) 0.000 15.991 ( 0.000 0.000 0.000) 0.000 16.141 ( -0.000 0.000 0.000) 0.000 16.368 ( -0.000 0.000 0.000) 0.000 16.404 ( 0.000 0.000 0.000) 0.000 19.441 ( -0.000 0.000 0.000) 0.000 20.333 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 518 (258/282) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 3.995 -0.000 -3.601) 5.379 1.767 ( -1.417 0.000 -8.703) 8.817 2.142 ( -0.386 0.000 5.489) 5.503 2.235 ( 0.229 -0.000 0.832) 0.863 2.425 ( 0.830 -0.000 3.656) 3.749 2.586 ( -2.940 0.000 2.889) 4.122 3.162 ( 8.488 -0.000 -15.885) 18.011 3.405 ( 2.613 -0.000 7.162) 7.624 3.646 ( -20.678 0.000 -18.500) 27.746 3.916 ( 8.831 -0.000 -6.654) 11.057 4.286 ( 7.297 -0.000 -18.313) 19.714 4.692 ( 6.481 -0.000 5.244) 8.337 4.919 ( -10.284 0.000 9.428) 13.952 5.027 ( -0.520 0.000 14.581) 14.590 5.337 ( 12.870 -0.000 -8.263) 15.294 5.730 ( 6.184 -0.000 -0.891) 6.248 6.693 ( 0.537 -0.000 -1.769) 1.848 7.579 ( -2.494 0.000 -20.851) 20.999 7.825 ( 4.153 -0.000 -4.474) 6.105 7.960 ( -0.192 0.000 -3.773) 3.778 8.458 ( 0.497 -0.000 14.982) 14.990 8.777 ( -0.373 0.000 4.681) 4.696 10.799 ( -0.206 0.000 -9.303) 9.306 11.047 ( 2.306 -0.000 4.617) 5.161 15.219 ( -0.019 0.000 0.213) 0.214 15.356 ( 9.972 -0.000 4.136) 10.796 16.670 ( -11.426 0.000 -5.557) 12.706 16.856 ( -0.259 0.000 -0.358) 0.442 19.489 ( 5.545 -0.000 1.420) 5.724 20.247 ( -2.202 0.000 0.042) 2.203 ======================= Grid point 519 (259/282) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 3.896 -1.740 -7.002) 8.199 1.801 ( 1.851 -6.273 -5.847) 8.773 2.196 ( -1.673 -2.459 1.477) 3.320 2.244 ( -0.062 -1.339 3.787) 4.017 2.427 ( -4.427 2.003 3.848) 6.198 2.539 ( 2.547 6.452 1.437) 7.084 3.196 ( -2.838 -1.522 -13.771) 14.142 3.380 ( -7.405 -9.065 -14.867) 18.922 3.543 ( 3.530 -6.864 1.363) 7.838 3.907 ( 9.358 5.946 -8.545) 13.999 4.265 ( 8.581 -3.062 -14.356) 17.003 4.682 ( 0.450 8.315 3.725) 9.122 5.003 ( -9.069 -12.044 11.230) 18.799 5.063 ( 3.081 0.997 4.549) 5.584 5.522 ( 13.793 -8.611 -4.226) 16.800 5.801 ( 7.240 -3.649 -4.191) 9.127 6.713 ( -2.846 -3.999 -6.531) 8.170 7.436 ( 0.784 -0.893 -16.422) 16.465 7.819 ( 0.458 -0.980 -8.516) 8.585 7.944 ( 5.714 1.506 -1.833) 6.187 8.557 ( -1.031 -0.184 13.198) 13.239 8.784 ( -1.420 2.870 6.528) 7.271 10.744 ( 0.951 -0.939 -9.448) 9.542 11.089 ( 2.250 0.744 3.119) 3.917 15.306 ( -0.300 -10.083 0.825) 10.121 15.528 ( 13.709 -2.749 5.971) 15.203 16.509 ( -14.283 -1.213 -7.383) 16.124 16.807 ( -0.218 5.023 -0.646) 5.069 19.545 ( 5.242 0.700 0.154) 5.290 20.234 ( -2.357 -0.923 0.922) 2.694 ======================= Grid point 520 (260/282) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 8.705 -4.349 -4.584) 10.757 1.908 ( 1.291 -8.620 -4.938) 10.017 2.196 ( -3.260 -2.811 -2.354) 4.906 2.293 ( -4.249 0.100 2.490) 4.926 2.372 ( -1.415 1.054 4.863) 5.173 2.450 ( 1.761 7.157 -1.036) 7.443 2.962 ( -10.739 4.593 -8.400) 14.386 3.499 ( 6.688 -0.330 -10.916) 12.806 3.637 ( 9.474 -7.008 -14.057) 18.343 3.818 ( -5.308 10.439 12.677) 17.258 4.378 ( 6.030 -11.490 -6.496) 14.511 4.615 ( 6.083 -1.129 -6.993) 9.337 5.131 ( 2.064 -3.145 1.081) 3.914 5.253 ( -7.461 -17.883 10.174) 21.886 5.713 ( 11.744 -3.526 -5.197) 13.318 5.969 ( 8.293 -11.552 -8.328) 16.480 6.634 ( -4.093 0.816 -10.699) 11.484 7.432 ( 1.949 -4.895 -5.544) 7.648 7.746 ( -2.062 0.335 -10.323) 10.533 8.005 ( 9.751 -0.836 -1.875) 9.964 8.610 ( -2.852 1.274 10.074) 10.547 8.744 ( -2.419 5.466 7.613) 9.679 10.728 ( 2.039 -2.511 -7.647) 8.303 11.109 ( 1.980 0.985 0.905) 2.390 15.530 ( -0.965 -15.450 2.179) 15.633 15.770 ( 14.455 -4.648 6.467) 16.504 16.358 ( -13.754 -3.295 -7.584) 16.049 16.689 ( 0.091 8.169 -1.020) 8.233 19.554 ( 3.411 2.493 -2.154) 4.742 20.249 ( -1.905 -2.052 2.105) 3.503 ======================= Grid point 521 (261/282) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 10.636 -2.591 -3.842) 11.602 1.985 ( 0.377 -2.831 -3.226) 4.308 2.196 ( -4.128 -1.848 0.012) 4.523 2.310 ( -2.235 -4.343 -0.367) 4.898 2.342 ( -4.416 0.253 2.818) 5.245 2.388 ( 0.601 0.638 1.150) 1.446 2.801 ( 1.180 5.691 0.826) 5.870 3.328 ( 12.771 14.784 -17.456) 26.199 3.603 ( -12.719 13.560 14.156) 23.367 3.815 ( 5.467 -8.842 -3.808) 11.071 4.591 ( 4.829 -9.543 -5.683) 12.111 4.751 ( 6.456 -11.561 -5.580) 14.369 5.180 ( -1.652 -2.971 -2.371) 4.144 5.571 ( -7.428 -20.055 9.820) 23.534 5.856 ( 12.244 -5.987 -6.862) 15.259 6.083 ( -1.733 -5.170 -14.711) 15.689 6.585 ( 6.313 -0.789 -0.900) 6.425 7.479 ( -1.129 0.291 -0.113) 1.171 7.683 ( -0.228 -5.225 -10.564) 11.788 8.102 ( 8.840 -1.639 -3.600) 9.685 8.593 ( -5.725 2.763 7.404) 9.759 8.665 ( -1.780 7.649 7.098) 10.586 10.760 ( 2.367 -3.585 -4.558) 6.263 11.107 ( 0.926 0.821 -1.043) 1.618 15.776 ( -2.629 -12.764 2.283) 13.231 16.013 ( 9.140 -6.008 3.834) 11.590 16.277 ( -7.636 -4.982 -4.185) 10.032 16.545 ( 1.121 8.406 -1.054) 8.545 19.509 ( 1.823 3.281 -3.134) 4.890 20.287 ( -1.374 -2.331 2.242) 3.514 ======================= Grid point 522 (262/282) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 5.097 -0.023 -1.864) 5.428 2.049 ( 6.210 0.986 2.034) 6.608 2.202 ( -6.513 -3.426 3.657) 8.218 2.275 ( -0.584 -0.402 0.223) 0.743 2.345 ( -1.026 0.602 0.236) 1.213 2.497 ( -1.659 -9.230 -0.095) 9.378 2.791 ( 7.405 5.838 3.042) 9.908 3.126 ( 17.498 12.548 -6.034) 22.361 3.381 ( -9.400 8.163 6.744) 14.159 3.944 ( 1.259 -4.531 -0.920) 4.791 4.699 ( 1.504 -4.311 -3.635) 5.835 4.938 ( 3.405 -6.833 -2.357) 7.990 5.185 ( -2.148 -2.793 -3.741) 5.139 5.790 ( -16.658 -8.727 -0.821) 18.823 5.979 ( 3.730 -6.310 -9.210) 11.770 6.106 ( 8.438 -7.421 1.916) 11.399 6.689 ( 8.988 1.311 3.384) 9.693 7.411 ( -0.186 3.155 -2.577) 4.078 7.777 ( -0.401 -10.264 -3.697) 10.917 8.158 ( 6.228 -0.003 -5.866) 8.556 8.527 ( -7.375 2.335 4.699) 9.051 8.556 ( -0.866 8.667 5.018) 10.052 10.815 ( 1.793 -2.719 -1.705) 3.677 11.086 ( -0.846 0.451 -1.850) 2.084 15.874 ( -8.460 -5.332 -2.485) 10.305 16.176 ( 3.617 -3.545 1.797) 5.374 16.321 ( -0.774 -4.876 1.411) 5.135 16.454 ( 5.195 4.577 -0.205) 6.927 19.457 ( 0.837 1.978 -2.007) 2.939 20.320 ( -0.854 -1.376 1.235) 2.037 ======================= Grid point 523 (263/282) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.424 -1.207 2.299) 3.552 2.059 ( 7.810 3.940 2.923) 9.224 2.230 ( -3.513 -2.448 3.501) 5.531 2.304 ( 0.883 -1.014 -0.228) 1.364 2.344 ( 2.598 0.478 -0.305) 2.659 2.572 ( -3.277 2.024 -3.459) 5.177 2.726 ( 3.996 -1.060 1.812) 4.514 3.259 ( -3.875 -0.202 -3.246) 5.059 3.287 ( 21.158 -1.285 14.323) 25.582 3.981 ( -0.716 0.356 2.565) 2.687 4.718 ( -2.313 -0.324 -1.036) 2.555 4.982 ( 0.109 2.225 -2.446) 3.309 5.167 ( -3.282 -0.948 -5.259) 6.271 5.624 ( -15.948 0.521 -6.658) 17.290 6.038 ( 0.010 2.229 -0.468) 2.278 6.356 ( 6.961 -6.922 7.117) 12.125 6.727 ( 7.241 5.403 5.323) 10.486 7.401 ( 2.905 -3.557 -3.541) 5.799 7.908 ( -2.321 -5.342 4.333) 7.259 8.142 ( 3.485 2.826 -5.344) 6.977 8.431 ( -2.470 2.389 -4.385) 5.571 8.470 ( -4.552 2.358 3.987) 6.495 10.850 ( 1.079 -0.351 0.528) 1.252 11.055 ( -2.472 -0.141 -1.710) 3.009 15.791 ( -9.586 0.974 -4.637) 10.694 16.220 ( 1.569 2.558 2.463) 3.882 16.357 ( -0.447 0.058 -1.006) 1.103 16.525 ( 7.800 -3.154 2.894) 8.897 19.439 ( -0.202 -0.227 -0.185) 0.356 20.329 ( -0.173 0.126 -0.023) 0.215 ======================= Grid point 524 (264/282) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 3.647 7.290 0.894) 8.201 2.167 ( 2.426 -0.575 3.628) 4.402 2.226 ( -0.868 4.687 0.389) 4.783 2.292 ( 4.266 -0.476 -4.349) 6.111 2.372 ( -0.521 -1.313 1.838) 2.318 2.452 ( 1.500 3.978 -0.576) 4.290 2.938 ( -1.623 -12.842 11.413) 17.257 3.259 ( 0.661 -9.004 -13.677) 16.388 3.653 ( 18.944 -3.455 20.275) 27.962 3.981 ( 1.254 3.275 6.842) 7.688 4.655 ( -5.231 2.813 -0.197) 5.942 4.827 ( -4.137 10.703 -3.820) 12.094 5.061 ( -6.196 3.326 -7.347) 10.170 5.441 ( -10.391 1.987 -4.592) 11.533 5.899 ( -1.036 12.024 0.184) 12.070 6.390 ( 0.063 12.229 3.361) 12.682 6.869 ( 9.281 -6.076 12.581) 16.773 7.508 ( 3.952 -6.739 -3.462) 8.545 7.918 ( -3.460 5.535 6.334) 9.096 8.061 ( -0.419 6.328 0.547) 6.366 8.380 ( -3.746 -3.600 -6.245) 8.124 8.459 ( -0.177 -4.713 -3.987) 6.176 10.862 ( 0.927 1.037 2.791) 3.119 11.020 ( -3.135 -0.245 -1.919) 3.683 15.626 ( -7.518 4.931 -3.853) 9.781 16.103 ( 0.529 13.844 0.506) 13.864 16.401 ( -0.176 -6.745 -0.393) 6.759 16.672 ( 6.869 -2.861 3.311) 8.144 19.447 ( -1.479 -1.183 0.481) 1.954 20.317 ( 0.575 1.149 -0.584) 1.412 ======================= Grid point 525 (265/282) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 2.758 7.825 0.628) 8.320 2.101 ( 0.021 7.485 1.056) 7.559 2.147 ( -2.389 2.017 -2.297) 3.880 2.348 ( 2.721 -0.739 0.035) 2.820 2.412 ( 1.354 0.785 -0.058) 1.567 2.432 ( 0.599 -1.330 1.665) 2.213 3.194 ( -3.305 -10.604 8.613) 14.056 3.387 ( 2.733 -14.477 -9.841) 17.717 3.895 ( 3.167 7.009 7.739) 10.911 4.051 ( 11.813 -0.118 14.474) 18.683 4.541 ( -5.284 4.393 -3.009) 7.501 4.591 ( 0.660 10.400 4.121) 11.206 4.848 ( -9.888 5.020 -11.066) 15.666 5.286 ( -4.071 4.866 -4.185) 7.600 5.678 ( -1.485 12.884 0.969) 13.005 6.123 ( -2.077 18.156 1.503) 18.337 7.105 ( 6.382 -0.020 7.701) 10.001 7.623 ( 3.045 -3.441 4.086) 6.149 7.800 ( -3.730 3.158 -2.004) 5.282 7.969 ( -1.446 4.723 3.330) 5.957 8.368 ( -1.882 -2.487 -5.353) 6.195 8.547 ( 0.333 -7.552 -3.084) 8.165 10.882 ( 1.341 0.745 4.549) 4.801 10.977 ( -2.758 -0.009 -3.141) 4.180 15.454 ( -4.284 6.233 -2.129) 7.857 15.831 ( -0.001 18.383 -0.184) 18.384 16.539 ( 0.055 -9.480 0.084) 9.480 16.782 ( 4.465 -1.394 2.228) 5.182 19.447 ( -1.836 -0.392 0.004) 1.878 20.300 ( 0.779 1.251 -0.307) 1.505 ======================= Grid point 526 (266/282) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 0.000 5.695 0.000) 5.695 1.996 ( -0.000 6.242 -0.000) 6.242 2.090 ( -0.000 1.370 0.000) 1.370 2.340 ( -0.000 5.610 -0.000) 5.610 2.378 ( 0.000 -1.146 0.000) 1.146 2.504 ( -0.000 -3.951 0.000) 3.951 3.312 ( -0.000 -2.823 -0.000) 2.823 3.611 ( -0.000 -8.989 0.000) 8.989 3.706 ( -0.000 13.233 0.000) 13.233 4.154 ( -0.000 3.850 -0.000) 3.850 4.442 ( 0.000 3.062 0.000) 3.062 4.551 ( -0.000 5.038 -0.000) 5.038 4.686 ( 0.000 -5.270 0.000) 5.270 5.152 ( -0.000 7.539 0.000) 7.539 5.476 ( 0.000 10.647 0.000) 10.647 5.843 ( 0.000 13.472 0.000) 13.472 7.022 ( 0.000 13.640 0.000) 13.640 7.743 ( 0.000 -2.416 0.000) 2.416 7.772 ( -0.000 -4.375 -0.000) 4.375 7.930 ( 0.000 -0.009 -0.000) 0.009 8.351 ( 0.000 0.861 0.000) 0.861 8.650 ( -0.000 -5.701 0.000) 5.701 10.924 ( 0.000 -0.524 0.000) 0.524 10.927 ( -0.000 0.545 -0.000) 0.545 15.327 ( 0.000 5.384 0.000) 5.384 15.532 ( -0.000 16.875 0.000) 16.875 16.695 ( -0.000 -8.847 0.000) 8.847 16.826 ( 0.000 -0.288 0.000) 0.288 19.433 ( -0.000 0.599 -0.000) 0.599 20.286 ( 0.000 0.885 0.000) 0.885 ======================= Grid point 530 (267/282) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 2.403 -0.000 -9.003) 9.318 1.773 ( 9.213 -0.000 -7.979) 12.188 2.194 ( -1.378 0.000 4.833) 5.025 2.219 ( -4.345 0.000 1.923) 4.751 2.416 ( -4.889 0.000 3.129) 5.805 2.701 ( 5.726 -0.000 6.308) 8.519 3.058 ( -14.494 0.000 -10.867) 18.115 3.122 ( 10.062 -0.000 -17.054) 19.801 3.534 ( 4.183 -0.000 1.557) 4.464 4.005 ( 12.571 -0.000 -11.434) 16.994 4.227 ( 16.929 -0.000 -24.219) 29.549 4.808 ( -12.808 0.000 8.085) 15.146 4.859 ( -2.008 0.000 12.315) 12.478 5.115 ( -4.294 0.000 4.302) 6.078 5.506 ( 13.267 -0.000 -7.897) 15.440 5.811 ( 6.398 -0.000 -5.627) 8.520 6.630 ( 0.926 -0.000 -8.756) 8.805 7.344 ( 4.803 -0.000 -13.490) 14.320 7.747 ( -1.030 0.000 -9.976) 10.029 8.012 ( 9.264 -0.000 -2.525) 9.602 8.619 ( -3.479 0.000 12.056) 12.548 8.834 ( -3.266 0.000 7.739) 8.400 10.686 ( 2.787 -0.000 -10.055) 10.434 11.133 ( 1.196 -0.000 2.673) 2.928 15.222 ( -0.054 0.000 0.326) 0.330 15.697 ( 15.719 -0.000 7.833) 17.563 16.295 ( -15.612 0.000 -8.695) 17.871 16.843 ( -0.445 0.000 -0.592) 0.740 19.595 ( 4.064 -0.000 -1.345) 4.281 20.213 ( -2.119 0.000 1.694) 2.713 ======================= Grid point 531 (268/282) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 5.178 -8.770 -7.252) 12.503 1.841 ( 12.694 -2.027 -7.470) 14.867 2.141 ( -5.510 1.294 1.744) 5.923 2.247 ( -3.618 -2.040 1.810) 4.531 2.410 ( -1.236 0.893 5.664) 5.866 2.591 ( -3.852 10.559 -3.623) 11.809 2.948 ( 2.818 2.855 0.298) 4.023 3.290 ( 7.494 -16.874 -11.513) 21.759 3.606 ( 3.726 -2.022 -2.928) 5.152 4.003 ( 12.699 5.103 -9.109) 16.440 4.253 ( 9.320 -3.785 -13.124) 16.536 4.688 ( -2.257 7.523 0.937) 7.910 4.981 ( -9.302 -11.432 11.132) 18.470 5.084 ( -3.007 -1.493 -1.691) 3.759 5.652 ( 5.890 -9.479 -9.036) 14.360 5.848 ( 6.114 -3.425 -8.158) 10.755 6.590 ( 5.104 0.434 -8.093) 9.578 7.362 ( 7.078 -2.997 -6.714) 10.206 7.662 ( -1.785 0.267 -10.591) 10.744 8.086 ( 10.679 0.331 -3.184) 11.149 8.647 ( -5.890 0.428 9.610) 11.280 8.829 ( -4.611 2.319 8.242) 9.725 10.669 ( 4.465 -1.468 -8.561) 9.766 11.144 ( 0.234 1.052 1.105) 1.544 15.312 ( -0.379 -10.298 0.918) 10.346 15.881 ( 6.293 -1.974 2.165) 6.942 16.149 ( -5.293 -2.302 -2.223) 6.185 16.792 ( -0.268 4.883 -0.817) 4.958 19.596 ( 1.989 1.428 -3.592) 4.347 20.220 ( -1.536 -1.223 2.584) 3.245 ======================= Grid point 532 (269/282) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 4.221 -8.668 -6.067) 11.392 1.969 ( 13.447 -3.619 -8.065) 16.092 2.130 ( -2.746 -2.373 6.069) 7.071 2.232 ( -2.965 0.064 1.354) 3.260 2.357 ( -5.538 3.223 -1.033) 6.490 2.441 ( -0.121 3.827 3.698) 5.324 2.967 ( 10.182 4.416 3.561) 11.656 3.524 ( 9.712 -5.419 -9.924) 14.905 3.572 ( 1.657 2.227 -8.025) 8.491 3.920 ( -0.465 11.760 9.180) 14.926 4.415 ( 6.273 -13.283 -5.580) 15.714 4.625 ( 6.348 -3.267 -8.753) 11.296 5.072 ( -4.373 -3.224 -4.094) 6.803 5.210 ( -10.067 -18.700 7.301) 22.458 5.750 ( 1.405 -8.046 -13.514) 15.790 5.913 ( 3.473 -5.344 -8.243) 10.419 6.656 ( 12.337 -2.124 -0.199) 12.520 7.454 ( 5.112 -3.548 -1.755) 6.465 7.563 ( -1.741 0.380 -11.063) 11.205 8.154 ( 9.657 0.185 -4.973) 10.864 8.614 ( -8.806 2.091 7.759) 11.922 8.789 ( -3.604 4.237 7.532) 9.363 10.703 ( 4.925 -2.942 -5.647) 8.049 11.120 ( -0.778 1.506 -1.050) 1.994 15.532 ( -2.035 -14.598 1.894) 14.860 15.874 ( -9.817 -7.423 -8.723) 15.085 16.272 ( 11.421 -0.851 9.175) 14.675 16.680 ( 0.746 7.472 -1.211) 7.606 19.545 ( 0.597 2.413 -4.718) 5.333 20.254 ( -1.065 -2.013 2.773) 3.589 ======================= Grid point 533 (270/282) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 4.055 -3.587 -3.020) 6.199 2.086 ( 3.902 -5.014 -3.554) 7.280 2.170 ( -0.264 -0.745 5.801) 5.855 2.278 ( -1.753 -2.455 2.832) 4.138 2.305 ( -0.479 0.944 3.322) 3.487 2.428 ( 2.430 -0.594 0.080) 2.503 3.008 ( 10.495 6.540 0.286) 12.369 3.419 ( 2.547 9.065 -3.249) 9.961 3.533 ( 7.682 10.866 2.340) 13.511 3.882 ( 0.852 -2.603 3.214) 4.223 4.595 ( 3.335 -6.722 -5.474) 9.289 4.798 ( 5.327 -12.414 -4.190) 14.143 5.057 ( -4.539 -4.414 -5.612) 8.461 5.425 ( -15.616 -15.025 0.243) 21.672 5.799 ( 1.218 -9.920 -10.224) 14.297 6.035 ( 5.470 -9.018 -1.427) 10.643 6.838 ( 13.319 -1.060 4.349) 14.051 7.437 ( 0.501 3.215 -7.636) 8.301 7.587 ( 0.828 -8.234 -2.305) 8.591 8.182 ( 6.806 0.792 -7.755) 10.348 8.529 ( -9.952 3.135 6.817) 12.464 8.718 ( -1.772 6.970 5.976) 9.351 10.773 ( 4.054 -3.421 -2.723) 5.963 11.071 ( -2.039 1.212 -2.394) 3.370 15.667 ( -8.569 -7.274 -2.334) 11.480 15.971 ( -2.497 -16.660 -3.507) 17.208 16.393 ( 4.844 4.439 6.575) 9.295 16.591 ( 5.995 4.818 0.349) 7.699 19.479 ( 0.156 2.028 -3.804) 4.313 20.295 ( -0.744 -1.817 2.063) 2.848 ======================= Grid point 534 (271/282) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 4.624 -3.169 0.858) 5.672 2.168 ( -1.027 -3.573 3.481) 5.093 2.241 ( 4.136 2.864 4.468) 6.728 2.268 ( -1.336 -2.329 0.731) 2.782 2.348 ( 1.396 -2.268 1.306) 2.966 2.484 ( -1.025 -3.252 -0.116) 3.412 2.908 ( 10.369 11.921 -7.458) 17.471 3.232 ( -11.765 6.750 3.380) 13.979 3.618 ( 24.041 3.101 9.437) 26.012 3.972 ( 1.900 -3.578 1.922) 4.484 4.648 ( -2.074 -2.881 -3.864) 5.247 4.946 ( -1.432 -3.062 -2.938) 4.479 5.059 ( -1.443 -4.874 -6.624) 8.350 5.398 ( -14.775 -5.191 -4.659) 16.338 5.974 ( 1.439 -9.843 -1.405) 10.047 6.275 ( 4.338 -12.713 3.247) 13.820 6.952 ( 9.956 5.346 6.450) 13.012 7.357 ( 1.682 0.301 -8.074) 8.253 7.746 ( -1.209 -11.402 1.038) 11.513 8.164 ( 4.601 0.597 -8.474) 9.661 8.412 ( -9.036 4.427 3.811) 10.760 8.607 ( -0.579 9.251 4.301) 10.218 10.845 ( 2.875 -2.317 -0.505) 3.727 11.016 ( -3.039 0.378 -2.385) 3.882 15.655 ( -7.677 -3.897 -3.387) 9.251 16.200 ( 0.616 -10.620 -0.396) 10.646 16.348 ( -0.805 3.304 1.728) 3.814 16.616 ( 7.311 2.871 2.361) 8.202 19.438 ( -0.018 0.689 -1.740) 1.872 20.322 ( -0.385 -0.849 0.911) 1.304 ======================= Grid point 535 (272/282) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 2.026 2.428 1.314) 3.424 2.225 ( 3.651 1.351 2.278) 4.510 2.249 ( -0.053 -2.579 2.686) 3.724 2.310 ( 0.373 -0.443 -1.015) 1.168 2.381 ( 0.833 2.888 -0.404) 3.033 2.484 ( -1.299 -1.011 -1.603) 2.298 2.869 ( 6.162 -1.272 4.856) 7.948 3.076 ( -6.993 -0.916 -5.759) 9.106 3.898 ( 15.776 -2.385 11.312) 19.558 4.062 ( 4.286 -1.335 4.493) 6.351 4.606 ( -5.418 0.047 -3.526) 6.464 4.841 ( -6.992 3.912 -6.025) 10.025 5.058 ( 0.246 2.445 -3.325) 4.134 5.331 ( -7.277 -2.301 -1.683) 7.816 6.032 ( -0.090 3.422 -0.167) 3.428 6.503 ( 1.839 -4.612 2.551) 5.582 6.976 ( 6.108 3.722 7.443) 10.323 7.375 ( 1.216 -6.789 -5.847) 9.042 7.917 ( -1.740 -7.617 2.595) 8.233 8.146 ( 2.954 2.004 -3.593) 5.065 8.286 ( -4.966 2.022 -1.175) 5.489 8.469 ( -0.794 7.961 1.322) 8.109 10.895 ( 2.304 -0.521 1.331) 2.711 10.971 ( -3.156 -0.357 -2.057) 3.784 15.605 ( -4.110 1.056 -1.952) 4.671 16.269 ( 0.788 3.153 1.728) 3.681 16.328 ( -0.647 -0.713 -1.361) 1.667 16.677 ( 3.636 -2.881 1.455) 4.862 19.429 ( -0.335 -0.306 -0.264) 0.525 20.329 ( 0.020 0.191 0.081) 0.208 ======================= Grid point 536 (273/282) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -0.000 6.998 0.000) 6.998 2.186 ( 0.000 4.185 0.000) 4.185 2.230 ( -0.000 7.964 -0.000) 7.964 2.346 ( -0.000 -0.751 0.000) 0.751 2.351 ( 0.000 -5.342 -0.000) 5.342 2.484 ( 0.000 1.965 0.000) 1.965 3.040 ( -0.000 -9.225 -0.000) 9.225 3.118 ( -0.000 -12.955 0.000) 12.955 4.026 ( 0.000 1.849 0.000) 1.849 4.154 ( -0.000 -2.106 -0.000) 2.106 4.542 ( -0.000 1.590 -0.000) 1.590 4.696 ( 0.000 4.829 0.000) 4.829 4.927 ( 0.000 11.082 0.000) 11.082 5.301 ( -0.000 1.316 0.000) 1.316 5.890 ( -0.000 12.108 0.000) 12.108 6.412 ( 0.000 14.975 -0.000) 14.975 7.091 ( 0.000 -7.401 0.000) 7.401 7.507 ( 0.000 -9.846 0.000) 9.846 7.917 ( -0.000 7.911 0.000) 7.911 8.067 ( -0.000 6.427 -0.000) 6.427 8.286 ( 0.000 -3.786 0.000) 3.786 8.427 ( -0.000 -4.117 0.000) 4.117 10.923 ( 0.000 0.367 0.000) 0.367 10.942 ( -0.000 -0.137 -0.000) 0.137 15.524 ( 0.000 5.127 0.000) 5.127 16.112 ( -0.000 14.834 0.000) 14.834 16.396 ( -0.000 -7.286 0.000) 7.286 16.765 ( 0.000 -3.864 0.000) 3.864 19.433 ( -0.000 -0.436 -0.000) 0.436 20.320 ( 0.000 0.872 0.000) 0.872 ======================= Grid point 542 (274/282) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 6.289 -0.000 -5.414) 8.298 1.908 ( 15.826 -0.000 -9.292) 18.352 2.111 ( -5.940 0.000 3.591) 6.941 2.229 ( -0.166 0.000 2.945) 2.950 2.434 ( -4.764 0.000 3.075) 5.670 2.606 ( -8.310 0.000 0.210) 8.313 3.055 ( 6.650 -0.000 -17.490) 18.711 3.149 ( 16.825 -0.000 8.547) 18.872 3.595 ( 1.716 -0.000 -0.830) 1.906 4.060 ( 9.093 -0.000 -11.287) 14.494 4.276 ( 21.686 -0.000 -23.153) 31.722 4.703 ( -7.024 0.000 6.113) 9.312 4.909 ( -14.189 0.000 14.129) 20.025 5.015 ( -4.369 0.000 -2.078) 4.838 5.496 ( -0.073 0.000 -13.272) 13.272 5.825 ( 4.838 -0.000 -7.806) 9.184 6.616 ( 9.818 -0.000 -5.898) 11.454 7.389 ( 11.303 -0.000 -4.943) 12.336 7.576 ( -1.822 0.000 -10.610) 10.766 8.163 ( 9.967 -0.000 -4.334) 10.869 8.646 ( -7.768 0.000 8.001) 11.152 8.849 ( -6.170 0.000 8.371) 10.399 10.655 ( 6.565 -0.000 -7.483) 9.954 11.155 ( -1.511 0.000 0.897) 1.757 15.225 ( -0.083 0.000 0.302) 0.313 15.759 ( -13.226 0.000 -10.228) 16.719 16.252 ( 14.774 -0.000 11.340) 18.625 16.825 ( -0.476 0.000 -0.605) 0.770 19.585 ( -0.259 0.000 -5.320) 5.326 20.218 ( -0.623 0.000 2.861) 2.928 ======================= Grid point 543 (275/282) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 5.991 -7.631 -3.460) 10.301 1.973 ( 7.698 -1.154 -8.346) 11.413 2.149 ( 4.073 -1.581 6.565) 7.886 2.241 ( -1.009 1.942 0.225) 2.200 2.329 ( -6.549 1.120 -1.322) 6.774 2.539 ( -1.602 4.296 5.533) 7.186 3.048 ( 3.338 -4.718 -11.546) 12.911 3.432 ( 17.367 -4.665 5.602) 18.835 3.618 ( 1.628 -1.136 -1.324) 2.386 4.124 ( 11.645 -2.055 -8.262) 14.425 4.270 ( 8.859 1.468 -8.937) 12.669 4.655 ( -1.284 5.835 -1.337) 6.122 4.905 ( -8.828 -10.973 3.620) 14.541 4.967 ( -7.882 -0.736 1.584) 8.073 5.483 ( -4.580 -9.794 -12.607) 16.608 5.836 ( 3.662 -2.855 -6.608) 8.076 6.717 ( 11.211 -3.425 -1.431) 11.809 7.469 ( 4.593 0.242 -6.184) 7.707 7.497 ( 4.788 -0.342 -6.588) 8.151 8.210 ( 7.393 0.633 -5.330) 9.136 8.602 ( -9.420 1.181 6.406) 11.453 8.840 ( -4.705 1.088 7.408) 8.843 10.689 ( 7.011 -1.274 -5.140) 8.786 11.125 ( -2.640 1.459 -0.333) 3.034 15.316 ( -0.607 -10.256 0.972) 10.320 15.595 ( -12.106 -4.338 -10.118) 16.363 16.472 ( 13.640 0.639 11.658) 17.954 16.778 ( 0.048 4.499 -0.830) 4.575 19.529 ( -1.588 0.685 -5.997) 6.242 20.243 ( 0.040 -0.940 2.772) 2.927 ======================= Grid point 544 (276/282) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 4.565 -7.128 -1.937) 8.684 2.022 ( 2.999 -3.771 -2.354) 5.362 2.151 ( -4.743 0.362 0.333) 4.768 2.253 ( 2.037 -1.605 3.794) 4.595 2.367 ( 5.728 -1.590 1.422) 6.113 2.483 ( -1.607 4.189 3.466) 5.669 3.077 ( 0.566 -4.329 -8.523) 9.576 3.518 ( 0.578 6.829 0.230) 6.857 3.762 ( 18.872 -2.754 2.836) 19.282 4.035 ( 4.207 14.853 3.371) 15.801 4.460 ( 4.065 -13.428 -2.523) 14.255 4.610 ( 3.137 -6.852 -7.842) 10.876 4.907 ( -7.995 -2.603 -1.908) 8.622 5.063 ( -9.573 -13.007 0.333) 16.154 5.549 ( -2.437 -12.076 -7.961) 14.668 5.916 ( 2.809 -7.534 -3.303) 8.693 6.910 ( 9.551 -6.692 2.445) 11.916 7.391 ( -1.401 0.504 -9.197) 9.317 7.566 ( 7.753 0.515 -0.785) 7.810 8.205 ( 3.541 1.642 -5.849) 7.032 8.527 ( -8.530 2.066 5.313) 10.260 8.819 ( -2.115 3.053 5.259) 6.438 10.754 ( 5.690 -2.260 -2.623) 6.660 11.059 ( -3.179 2.068 -1.522) 4.086 15.458 ( -6.835 -6.975 -1.849) 9.939 15.627 ( -2.387 -17.532 -4.090) 18.161 16.581 ( 4.004 6.988 6.158) 10.139 16.718 ( 5.606 3.042 1.310) 6.511 19.466 ( -1.364 0.505 -4.598) 4.823 20.280 ( 0.106 -1.273 2.077) 2.438 ======================= Grid point 545 (277/282) ======================= q-point: ( 0.60 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 4.079 -5.478 -0.736) 6.870 2.115 ( -1.550 -4.224 5.045) 6.760 2.163 ( -0.806 -5.229 -2.234) 5.743 2.295 ( 0.221 -0.178 1.456) 1.483 2.414 ( 1.689 2.787 4.431) 5.500 2.457 ( 1.525 -0.514 -2.006) 2.572 3.067 ( 2.748 1.769 -6.458) 7.237 3.336 ( -4.052 13.361 2.551) 14.193 3.912 ( 3.835 5.264 2.951) 7.150 3.981 ( 15.250 -0.601 3.672) 15.697 4.554 ( -2.346 -2.918 -2.795) 4.673 4.833 ( 1.460 -11.041 -0.464) 11.147 4.885 ( -2.702 -6.467 -6.257) 9.396 5.133 ( -9.888 -8.909 -1.248) 13.368 5.751 ( 0.618 -15.958 -1.779) 16.069 6.097 ( 1.670 -12.822 0.165) 12.932 7.107 ( 6.067 -3.139 5.697) 8.895 7.317 ( 0.193 0.440 -8.896) 8.909 7.620 ( 1.963 -2.785 0.635) 3.466 8.157 ( 0.753 1.598 -4.392) 4.734 8.444 ( -4.872 3.860 2.912) 6.864 8.760 ( -0.401 6.282 2.727) 6.860 10.829 ( 3.505 -2.739 -0.634) 4.494 10.987 ( -2.917 1.577 -1.500) 3.640 15.490 ( -4.386 -6.345 -2.063) 7.984 15.930 ( -0.200 -19.575 -0.560) 19.584 16.467 ( 0.030 8.876 1.105) 8.945 16.746 ( 4.473 3.395 2.108) 5.998 19.430 ( -0.476 0.085 -1.954) 2.012 20.311 ( -0.040 -1.053 0.932) 1.407 ======================= Grid point 546 (278/282) ======================= q-point: ( 0.70 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( -0.905 -6.240 0.232) 6.310 2.154 ( 0.905 -0.763 -0.232) 1.206 2.255 ( -0.000 -4.518 0.000) 4.518 2.301 ( 0.000 -0.239 -0.000) 0.239 2.425 ( 0.000 -0.548 0.000) 0.548 2.437 ( -0.000 1.661 -0.000) 1.661 3.006 ( -0.000 4.312 0.000) 4.312 3.083 ( 0.000 13.003 -0.000) 13.003 3.950 ( -0.000 -3.475 0.000) 3.475 4.090 ( -0.000 -1.296 -0.000) 1.296 4.551 ( -0.000 -1.015 -0.000) 1.015 4.832 ( -0.000 1.892 0.000) 1.892 5.031 ( 0.000 -5.713 0.000) 5.713 5.210 ( -0.000 -6.885 0.000) 6.885 5.979 ( -0.000 -9.808 0.000) 9.808 6.342 ( -0.000 -14.440 0.000) 14.440 7.145 ( 0.000 6.284 -0.000) 6.284 7.278 ( -0.000 -1.850 0.000) 1.850 7.745 ( -0.000 -10.739 0.000) 10.739 8.136 ( -0.000 -0.682 -0.000) 0.682 8.346 ( -0.000 6.073 0.000) 6.073 8.634 ( -0.000 9.770 -0.000) 9.770 10.894 ( -0.000 -2.670 0.000) 2.670 10.942 ( -0.000 0.979 -0.000) 0.979 15.552 ( -0.000 -4.035 0.000) 4.035 16.205 ( -0.000 -12.496 0.000) 12.496 16.349 ( -0.000 5.128 -0.000) 5.128 16.711 ( -0.000 3.502 0.000) 3.502 19.423 ( -0.000 -0.089 0.000) 0.089 20.326 ( -0.000 -0.530 0.000) 0.530 ======================= Grid point 554 (279/282) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 5.201 -0.000 -1.220) 5.342 1.969 ( 4.154 -0.000 -5.381) 6.798 2.212 ( -7.860 0.000 0.837) 7.904 2.261 ( 7.195 -0.000 0.645) 7.224 2.288 ( 3.284 -0.000 2.189) 3.947 2.589 ( -4.329 0.000 4.925) 6.557 2.888 ( -0.729 0.000 -14.710) 14.728 3.592 ( -0.695 0.000 -0.101) 0.703 3.684 ( 23.484 -0.000 9.616) 25.376 4.059 ( 3.671 -0.000 -5.940) 6.983 4.419 ( 23.301 -0.000 -19.435) 30.342 4.707 ( -15.102 0.000 2.160) 15.256 4.721 ( 0.966 -0.000 4.168) 4.278 4.919 ( -13.552 0.000 9.004) 16.270 5.246 ( -5.061 0.000 -12.056) 13.075 5.798 ( 2.031 -0.000 -5.076) 5.467 6.763 ( 7.939 -0.000 -1.333) 8.051 7.407 ( -1.807 0.000 -8.200) 8.397 7.584 ( 12.538 -0.000 -2.081) 12.709 8.237 ( 4.204 -0.000 -4.558) 6.201 8.559 ( -9.137 0.000 4.298) 10.097 8.853 ( -3.294 0.000 6.017) 6.860 10.718 ( 7.047 -0.000 -3.536) 7.884 11.107 ( -3.608 0.000 -0.105) 3.610 15.226 ( -0.066 0.000 0.175) 0.187 15.393 ( -9.411 0.000 -7.742) 12.186 16.675 ( 10.969 -0.000 9.966) 14.820 16.811 ( -0.310 0.000 -0.380) 0.491 19.470 ( -2.574 0.000 -5.802) 6.348 20.258 ( 0.700 -0.000 2.259) 2.365 ======================= Grid point 555 (280/282) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 2.855 -6.800 -0.329) 7.382 1.989 ( 2.930 -1.417 -2.480) 4.092 2.110 ( -5.848 0.557 -0.310) 5.882 2.314 ( 4.317 1.664 3.025) 5.528 2.396 ( 6.565 -2.237 0.719) 6.973 2.537 ( -4.759 3.099 2.535) 6.219 2.863 ( -2.882 -8.368 -8.955) 12.590 3.591 ( -0.175 0.477 0.064) 0.512 3.942 ( 16.793 0.438 5.885) 17.799 4.193 ( 3.232 -15.110 -1.663) 15.541 4.375 ( 10.434 14.003 -4.587) 18.055 4.543 ( -5.947 2.015 -4.323) 7.624 4.807 ( -12.059 0.548 4.649) 12.936 4.852 ( 1.324 -7.136 -0.840) 7.307 5.263 ( -4.030 -12.566 -4.884) 14.071 5.817 ( 1.048 -3.889 -2.474) 4.726 6.866 ( 4.219 -6.012 0.104) 7.346 7.342 ( -1.087 0.681 -4.849) 5.015 7.663 ( 7.702 1.549 -1.021) 7.922 8.226 ( 1.312 1.550 -2.813) 3.469 8.503 ( -5.815 0.356 2.477) 6.331 8.859 ( -1.253 0.683 3.154) 3.462 10.765 ( 4.535 -0.891 -1.600) 4.891 11.057 ( -2.834 1.827 -0.399) 3.395 15.300 ( -3.373 -5.005 -0.363) 6.047 15.342 ( -1.635 -10.431 -3.485) 11.119 16.748 ( 0.882 5.969 2.087) 6.385 16.812 ( 4.738 0.674 3.050) 5.675 19.420 ( -1.586 -0.512 -3.341) 3.734 20.281 ( 0.461 -0.528 1.258) 1.440 ======================= Grid point 556 (281/282) ======================= q-point: ( 0.60 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.000 -7.136 0.000) 7.136 2.041 ( -0.000 -4.787 -0.000) 4.787 2.098 ( -0.000 -1.603 0.000) 1.603 2.320 ( 0.000 1.582 0.000) 1.582 2.453 ( 0.000 -0.526 0.000) 0.526 2.470 ( -0.000 2.219 -0.000) 2.219 2.974 ( -0.000 -8.855 0.000) 8.855 3.527 ( 0.000 8.277 -0.000) 8.277 3.999 ( -0.000 4.580 0.000) 4.580 4.193 ( -0.000 10.835 0.000) 10.835 4.486 ( -0.000 -1.638 -0.000) 1.638 4.535 ( 0.000 -21.666 0.000) 21.666 4.788 ( -0.000 -3.092 0.000) 3.092 4.953 ( 0.000 -6.581 0.000) 6.581 5.475 ( 0.000 -16.096 -0.000) 16.096 5.919 ( -0.000 -8.934 0.000) 8.934 7.025 ( 0.000 -9.730 -0.000) 9.730 7.303 ( -0.000 1.354 0.000) 1.354 7.657 ( -0.000 2.878 0.000) 2.878 8.183 ( 0.000 2.641 0.000) 2.641 8.473 ( -0.000 1.369 -0.000) 1.369 8.839 ( -0.000 2.677 0.000) 2.677 10.806 ( -0.000 -1.972 0.000) 1.972 11.002 ( -0.000 2.500 -0.000) 2.500 15.356 ( -0.000 -5.980 0.000) 5.980 15.596 ( -0.000 -19.299 -0.000) 19.299 16.626 ( -0.000 9.225 -0.000) 9.225 16.824 ( -0.000 2.245 0.000) 2.245 19.413 ( -0.000 -0.694 0.000) 0.694 20.299 ( -0.000 -0.848 0.000) 0.848 ======================= Grid point 567 (282/282) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 -0.000 -0.000) 0.000 1.993 ( 0.000 -0.000 -0.000) 0.000 2.072 ( -0.000 0.000 0.000) 0.000 2.370 ( 0.000 -0.000 0.000) 0.000 2.424 ( 0.000 -0.000 -0.000) 0.000 2.539 ( -0.000 0.000 -0.000) 0.000 2.734 ( -0.000 0.000 -0.000) 0.000 3.583 ( 0.000 -0.000 -0.000) 0.000 4.053 ( 0.000 -0.000 -0.000) 0.000 4.081 ( -0.000 0.000 -0.000) 0.000 4.496 ( -0.000 0.000 0.000) 0.000 4.574 ( -0.000 0.000 0.000) 0.000 4.784 ( 0.000 -0.000 -0.000) 0.000 4.787 ( 0.000 -0.000 0.000) 0.000 5.084 ( 0.000 -0.000 -0.000) 0.000 5.781 ( 0.000 -0.000 0.000) 0.000 6.832 ( 0.000 -0.000 -0.000) 0.000 7.326 ( 0.000 -0.000 -0.000) 0.000 7.714 ( 0.000 -0.000 -0.000) 0.000 8.237 ( 0.000 -0.000 -0.000) 0.000 8.481 ( 0.000 -0.000 -0.000) 0.000 8.869 ( -0.000 0.000 0.000) 0.000 10.776 ( 0.000 -0.000 -0.000) 0.000 11.058 ( 0.000 -0.000 -0.000) 0.000 15.227 ( 0.000 -0.000 -0.000) 0.000 15.245 ( 0.000 -0.000 0.000) 0.000 16.805 ( 0.000 -0.000 -0.000) 0.000 16.858 ( 0.000 -0.000 0.000) 0.000 19.394 ( 0.000 -0.000 -0.000) 0.000 20.284 ( 0.000 -0.000 -0.000) 0.000 =================== 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 3/30000 10.0 400.183 252.521 349.932 0.000 65.226 -0.000 3/30000 20.0 67.460 59.612 62.499 0.000 1.221 -0.000 3/30000 30.0 30.409 27.206 28.492 -0.000 -0.297 -0.000 3/30000 40.0 18.936 16.809 17.957 -0.000 -0.261 -0.000 3/30000 50.0 13.671 12.106 13.097 -0.000 -0.189 -0.000 3/30000 60.0 10.701 9.488 10.339 -0.000 -0.146 -0.000 3/30000 70.0 8.807 7.830 8.573 -0.000 -0.123 -0.000 3/30000 80.0 7.499 6.686 7.347 -0.000 -0.109 -0.000 3/30000 90.0 6.543 5.850 6.448 -0.000 -0.101 -0.000 3/30000 100.0 5.813 5.210 5.759 -0.000 -0.096 -0.000 3/30000 110.0 5.237 4.705 5.212 -0.000 -0.093 -0.000 3/30000 120.0 4.771 4.294 4.768 -0.000 -0.090 -0.000 3/30000 130.0 4.384 3.953 4.398 -0.000 -0.088 -0.000 3/30000 140.0 4.059 3.665 4.084 -0.000 -0.086 -0.000 3/30000 150.0 3.780 3.418 3.815 -0.000 -0.084 -0.000 3/30000 160.0 3.539 3.203 3.580 -0.000 -0.082 -0.000 3/30000 170.0 3.327 3.015 3.374 -0.000 -0.080 -0.000 3/30000 180.0 3.140 2.849 3.191 -0.000 -0.078 -0.000 3/30000 190.0 2.974 2.700 3.027 -0.000 -0.077 -0.000 3/30000 200.0 2.824 2.566 2.880 -0.000 -0.075 -0.000 3/30000 210.0 2.690 2.446 2.746 -0.000 -0.073 -0.000 3/30000 220.0 2.567 2.336 2.625 -0.000 -0.071 -0.000 3/30000 230.0 2.456 2.236 2.513 -0.000 -0.069 -0.000 3/30000 240.0 2.354 2.144 2.411 -0.000 -0.068 -0.000 3/30000 250.0 2.260 2.059 2.317 -0.000 -0.066 -0.000 3/30000 260.0 2.173 1.981 2.231 -0.000 -0.064 -0.000 3/30000 270.0 2.093 1.909 2.150 -0.000 -0.063 -0.000 3/30000 280.0 2.018 1.842 2.075 -0.000 -0.061 -0.000 3/30000 290.0 1.949 1.779 2.005 -0.000 -0.060 -0.000 3/30000 300.0 1.884 1.721 1.940 -0.000 -0.058 -0.000 3/30000 310.0 1.824 1.666 1.878 -0.000 -0.057 -0.000 3/30000 320.0 1.767 1.615 1.821 -0.000 -0.056 -0.000 3/30000 330.0 1.714 1.566 1.767 -0.000 -0.054 -0.000 3/30000 340.0 1.664 1.521 1.716 -0.000 -0.053 -0.000 3/30000 350.0 1.616 1.478 1.668 -0.000 -0.052 -0.000 3/30000 360.0 1.572 1.437 1.622 -0.000 -0.051 -0.000 3/30000 370.0 1.529 1.399 1.579 -0.000 -0.050 -0.000 3/30000 380.0 1.489 1.362 1.538 -0.000 -0.049 -0.000 3/30000 390.0 1.451 1.328 1.499 -0.000 -0.048 -0.000 3/30000 400.0 1.415 1.295 1.463 -0.000 -0.047 -0.000 3/30000 410.0 1.381 1.264 1.427 -0.000 -0.046 -0.000 3/30000 420.0 1.348 1.234 1.394 -0.000 -0.045 -0.000 3/30000 430.0 1.317 1.205 1.362 -0.000 -0.044 -0.000 3/30000 440.0 1.287 1.178 1.331 -0.000 -0.043 -0.000 3/30000 450.0 1.259 1.152 1.302 -0.000 -0.042 -0.000 3/30000 460.0 1.231 1.127 1.274 -0.000 -0.042 -0.000 3/30000 470.0 1.205 1.104 1.247 -0.000 -0.041 -0.000 3/30000 480.0 1.180 1.081 1.222 -0.000 -0.040 -0.000 3/30000 490.0 1.156 1.059 1.197 -0.000 -0.039 -0.000 3/30000 500.0 1.133 1.038 1.173 -0.000 -0.039 -0.000 3/30000 510.0 1.111 1.018 1.151 -0.000 -0.038 -0.000 3/30000 520.0 1.090 0.998 1.129 -0.000 -0.037 -0.000 3/30000 530.0 1.069 0.980 1.108 -0.000 -0.037 -0.000 3/30000 540.0 1.050 0.962 1.087 -0.000 -0.036 -0.000 3/30000 550.0 1.031 0.944 1.068 -0.000 -0.035 -0.000 3/30000 560.0 1.012 0.927 1.049 -0.000 -0.035 -0.000 3/30000 570.0 0.994 0.911 1.031 -0.000 -0.034 -0.000 3/30000 580.0 0.977 0.896 1.013 -0.000 -0.034 -0.000 3/30000 590.0 0.961 0.881 0.996 -0.000 -0.033 -0.000 3/30000 600.0 0.945 0.866 0.979 -0.000 -0.033 -0.000 3/30000 610.0 0.929 0.852 0.964 -0.000 -0.032 -0.000 3/30000 620.0 0.914 0.838 0.948 -0.000 -0.032 -0.000 3/30000 630.0 0.900 0.825 0.933 -0.000 -0.031 -0.000 3/30000 640.0 0.886 0.812 0.919 -0.000 -0.031 -0.000 3/30000 650.0 0.872 0.800 0.905 -0.000 -0.030 -0.000 3/30000 660.0 0.859 0.788 0.891 -0.000 -0.030 -0.000 3/30000 670.0 0.846 0.776 0.878 -0.000 -0.030 -0.000 3/30000 680.0 0.834 0.765 0.865 -0.000 -0.029 -0.000 3/30000 690.0 0.822 0.754 0.853 -0.000 -0.029 -0.000 3/30000 700.0 0.810 0.743 0.840 -0.000 -0.028 -0.000 3/30000 710.0 0.799 0.732 0.829 -0.000 -0.028 -0.000 3/30000 720.0 0.788 0.722 0.817 -0.000 -0.028 -0.000 3/30000 730.0 0.777 0.712 0.806 -0.000 -0.027 -0.000 3/30000 740.0 0.767 0.703 0.795 -0.000 -0.027 -0.000 3/30000 750.0 0.756 0.693 0.785 -0.000 -0.027 -0.000 3/30000 760.0 0.746 0.684 0.774 -0.000 -0.026 -0.000 3/30000 770.0 0.737 0.676 0.764 -0.000 -0.026 -0.000 3/30000 780.0 0.727 0.667 0.755 -0.000 -0.026 -0.000 3/30000 790.0 0.718 0.658 0.745 -0.000 -0.025 -0.000 3/30000 800.0 0.709 0.650 0.736 -0.000 -0.025 -0.000 3/30000 810.0 0.700 0.642 0.727 -0.000 -0.025 -0.000 3/30000 820.0 0.692 0.634 0.718 -0.000 -0.024 -0.000 3/30000 830.0 0.684 0.627 0.709 -0.000 -0.024 -0.000 3/30000 840.0 0.675 0.619 0.701 -0.000 -0.024 -0.000 3/30000 850.0 0.668 0.612 0.693 -0.000 -0.024 -0.000 3/30000 860.0 0.660 0.605 0.685 -0.000 -0.023 -0.000 3/30000 870.0 0.652 0.598 0.677 -0.000 -0.023 -0.000 3/30000 880.0 0.645 0.591 0.669 -0.000 -0.023 -0.000 3/30000 890.0 0.638 0.585 0.662 -0.000 -0.023 -0.000 3/30000 900.0 0.630 0.578 0.654 -0.000 -0.022 -0.000 3/30000 910.0 0.624 0.572 0.647 -0.000 -0.022 -0.000 3/30000 920.0 0.617 0.566 0.640 -0.000 -0.022 -0.000 3/30000 930.0 0.610 0.560 0.633 -0.000 -0.022 -0.000 3/30000 940.0 0.604 0.554 0.627 -0.000 -0.021 -0.000 3/30000 950.0 0.597 0.548 0.620 -0.000 -0.021 -0.000 3/30000 960.0 0.591 0.542 0.614 -0.000 -0.021 -0.000 3/30000 970.0 0.585 0.537 0.607 -0.000 -0.021 -0.000 3/30000 980.0 0.579 0.531 0.601 -0.000 -0.021 -0.000 3/30000 990.0 0.573 0.526 0.595 -0.000 -0.020 -0.000 3/30000 1000.0 0.568 0.521 0.589 -0.000 -0.020 -0.000 3/30000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:55:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|