----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:36:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.718072685000000 5.424051389999999 2.950890124999999 b 2.718072685000000 -5.424051389999999 2.950890124999999 c 2.718072685000000 5.424051389999999 -2.950890124999999 Atomic positions (fractional): *1 O 0.36544037851060 0.22815876946127 0.59359914797187 15.999 2 O 0.13455962148940 0.72815876946127 0.86271839095067 15.999 3 O 0.63455962148940 0.77184123053873 0.40640085202813 15.999 4 O 0.86544037851060 0.27184123053873 0.13728160904933 15.999 *5 Na 0.01063552272147 0.25000000000000 0.76063552272147 22.990 *6 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 7 Na 0.51063552272147 0.75000000000000 0.76063552272147 22.990 8 Na 0.98936447727853 0.75000000000000 0.23936447727853 22.990 9 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 10 Na 0.48936447727853 0.25000000000000 0.23936447727853 22.990 *11 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 12 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.436145370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.848102779999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.901780249999999 Atomic positions (fractional): *1 O 0.72815876946127 0.86544037851060 0.50000000000000 15.999 > 1 2 O 0.22815876946127 0.63455962148940 0.50000000000000 15.999 > 2 3 O 0.77184123053873 0.63455962148940 0.00000000000000 15.999 > 3 4 O 0.27184123053873 0.86544037851060 0.00000000000000 15.999 > 4 5 O 0.22815876946127 0.36544037851060 0.00000000000000 15.999 > 1 6 O 0.72815876946127 0.13455962148940 0.00000000000000 15.999 > 2 7 O 0.27184123053873 0.13455962148940 0.50000000000000 15.999 > 3 8 O 0.77184123053873 0.36544037851060 0.50000000000000 15.999 > 4 *9 Na 0.00000000000000 0.76063552272147 0.25000000000000 22.990 > 5 *10 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 6 11 Na 0.00000000000000 0.76063552272147 0.75000000000000 22.990 > 7 12 Na 0.50000000000000 0.73936447727853 0.25000000000000 22.990 > 8 13 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 9 14 Na 0.50000000000000 0.73936447727853 0.75000000000000 22.990 > 10 15 Na 0.50000000000000 0.26063552272147 0.75000000000000 22.990 > 5 16 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 6 17 Na 0.50000000000000 0.26063552272147 0.25000000000000 22.990 > 7 18 Na 0.00000000000000 0.23936447727853 0.75000000000000 22.990 > 8 19 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 9 20 Na 0.00000000000000 0.23936447727853 0.25000000000000 22.990 > 10 *21 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 11 22 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 12 23 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 11 24 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.872290740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.848102779999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.803560499999998 Atomic positions (fractional): *1 O 0.36407938473064 0.86544037851060 0.25000000000000 15.999 > 1 2 O 0.86407938473063 0.86544037851060 0.25000000000000 15.999 > 1 3 O 0.36407938473064 0.86544037851060 0.75000000000000 15.999 > 1 4 O 0.86407938473063 0.86544037851060 0.75000000000000 15.999 > 1 5 O 0.11407938473064 0.63455962148940 0.25000000000000 15.999 > 2 6 O 0.61407938473063 0.63455962148940 0.25000000000000 15.999 > 2 7 O 0.11407938473064 0.63455962148940 0.75000000000000 15.999 > 2 8 O 0.61407938473063 0.63455962148940 0.75000000000000 15.999 > 2 9 O 0.38592061526936 0.63455962148940 0.00000000000000 15.999 > 3 10 O 0.88592061526937 0.63455962148940 0.00000000000000 15.999 > 3 11 O 0.38592061526936 0.63455962148940 0.50000000000000 15.999 > 3 12 O 0.88592061526937 0.63455962148940 0.50000000000000 15.999 > 3 13 O 0.13592061526936 0.86544037851060 0.00000000000000 15.999 > 4 14 O 0.63592061526937 0.86544037851060 0.00000000000000 15.999 > 4 15 O 0.13592061526936 0.86544037851060 0.50000000000000 15.999 > 4 16 O 0.63592061526937 0.86544037851060 0.50000000000000 15.999 > 4 17 O 0.11407938473064 0.36544037851060 0.00000000000000 15.999 > 1 18 O 0.61407938473063 0.36544037851060 0.00000000000000 15.999 > 1 19 O 0.11407938473064 0.36544037851060 0.50000000000000 15.999 > 1 20 O 0.61407938473063 0.36544037851060 0.50000000000000 15.999 > 1 21 O 0.36407938473064 0.13455962148940 0.00000000000000 15.999 > 2 22 O 0.86407938473063 0.13455962148940 0.00000000000000 15.999 > 2 23 O 0.36407938473064 0.13455962148940 0.50000000000000 15.999 > 2 24 O 0.86407938473063 0.13455962148940 0.50000000000000 15.999 > 2 25 O 0.13592061526936 0.13455962148940 0.25000000000000 15.999 > 3 26 O 0.63592061526937 0.13455962148940 0.25000000000000 15.999 > 3 27 O 0.13592061526936 0.13455962148940 0.75000000000000 15.999 > 3 28 O 0.63592061526937 0.13455962148940 0.75000000000000 15.999 > 3 29 O 0.38592061526936 0.36544037851060 0.25000000000000 15.999 > 4 30 O 0.88592061526937 0.36544037851060 0.25000000000000 15.999 > 4 31 O 0.38592061526936 0.36544037851060 0.75000000000000 15.999 > 4 32 O 0.88592061526937 0.36544037851060 0.75000000000000 15.999 > 4 *33 Na 0.00000000000000 0.76063552272147 0.12500000000000 22.990 > 5 34 Na 0.50000000000000 0.76063552272147 0.12500000000000 22.990 > 5 35 Na 0.00000000000000 0.76063552272147 0.62500000000000 22.990 > 5 36 Na 0.50000000000000 0.76063552272147 0.62500000000000 22.990 > 5 *37 Na 0.25000000000000 0.00000000000000 0.12500000000000 22.990 > 6 38 Na 0.75000000000000 0.00000000000000 0.12500000000000 22.990 > 6 39 Na 0.25000000000000 0.00000000000000 0.62500000000000 22.990 > 6 40 Na 0.75000000000000 0.00000000000000 0.62500000000000 22.990 > 6 41 Na 0.00000000000000 0.76063552272147 0.37500000000000 22.990 > 7 42 Na 0.50000000000000 0.76063552272147 0.37500000000000 22.990 > 7 43 Na 0.00000000000000 0.76063552272147 0.87500000000000 22.990 > 7 44 Na 0.50000000000000 0.76063552272147 0.87500000000000 22.990 > 7 45 Na 0.25000000000000 0.73936447727853 0.12500000000000 22.990 > 8 46 Na 0.75000000000000 0.73936447727853 0.12500000000000 22.990 > 8 47 Na 0.25000000000000 0.73936447727853 0.62500000000000 22.990 > 8 48 Na 0.75000000000000 0.73936447727853 0.62500000000000 22.990 > 8 49 Na 0.25000000000000 0.00000000000000 0.37500000000000 22.990 > 9 50 Na 0.75000000000000 0.00000000000000 0.37500000000000 22.990 > 9 51 Na 0.25000000000000 0.00000000000000 0.87500000000000 22.990 > 9 52 Na 0.75000000000000 0.00000000000000 0.87500000000000 22.990 > 9 53 Na 0.25000000000000 0.73936447727853 0.37500000000000 22.990 > 10 54 Na 0.75000000000000 0.73936447727853 0.37500000000000 22.990 > 10 55 Na 0.25000000000000 0.73936447727853 0.87500000000000 22.990 > 10 56 Na 0.75000000000000 0.73936447727853 0.87500000000000 22.990 > 10 57 Na 0.25000000000000 0.26063552272147 0.37500000000000 22.990 > 5 58 Na 0.75000000000000 0.26063552272147 0.37500000000000 22.990 > 5 59 Na 0.25000000000000 0.26063552272147 0.87500000000000 22.990 > 5 60 Na 0.75000000000000 0.26063552272147 0.87500000000000 22.990 > 5 61 Na 0.00000000000000 0.50000000000000 0.37500000000000 22.990 > 6 62 Na 0.50000000000000 0.50000000000000 0.37500000000000 22.990 > 6 63 Na 0.00000000000000 0.50000000000000 0.87500000000000 22.990 > 6 64 Na 0.50000000000000 0.50000000000000 0.87500000000000 22.990 > 6 65 Na 0.25000000000000 0.26063552272147 0.12500000000000 22.990 > 7 66 Na 0.75000000000000 0.26063552272147 0.12500000000000 22.990 > 7 67 Na 0.25000000000000 0.26063552272147 0.62500000000000 22.990 > 7 68 Na 0.75000000000000 0.26063552272147 0.62500000000000 22.990 > 7 69 Na 0.00000000000000 0.23936447727853 0.37500000000000 22.990 > 8 70 Na 0.50000000000000 0.23936447727853 0.37500000000000 22.990 > 8 71 Na 0.00000000000000 0.23936447727853 0.87500000000000 22.990 > 8 72 Na 0.50000000000000 0.23936447727853 0.87500000000000 22.990 > 8 73 Na 0.00000000000000 0.50000000000000 0.12500000000000 22.990 > 9 74 Na 0.50000000000000 0.50000000000000 0.12500000000000 22.990 > 9 75 Na 0.00000000000000 0.50000000000000 0.62500000000000 22.990 > 9 76 Na 0.50000000000000 0.50000000000000 0.62500000000000 22.990 > 9 77 Na 0.00000000000000 0.23936447727853 0.12500000000000 22.990 > 10 78 Na 0.50000000000000 0.23936447727853 0.12500000000000 22.990 > 10 79 Na 0.00000000000000 0.23936447727853 0.62500000000000 22.990 > 10 80 Na 0.50000000000000 0.23936447727853 0.62500000000000 22.990 > 10 *81 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 11 82 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 11 83 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 11 84 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 11 85 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 12 86 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 12 87 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 12 88 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 12 89 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 11 90 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 11 91 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 11 92 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 11 93 Ag 0.25000000000000 0.50000000000000 0.25000000000000 107.868 > 12 94 Ag 0.75000000000000 0.50000000000000 0.25000000000000 107.868 > 12 95 Ag 0.25000000000000 0.50000000000000 0.75000000000000 107.868 > 12 96 Ag 0.75000000000000 0.50000000000000 0.75000000000000 107.868 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9457666 0.0000000 0.0000000 0.0000000 3.8858534 0.0000000 0.0000000 0.0000000 4.4774497 -------------------------- Born effective charges -------------------------- 1 O -1.8802678 -0.5331783 0.0000000 -0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 2 O -1.8802678 0.5331783 0.0000000 0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 3 O -1.8802678 -0.5331783 0.0000000 -0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 4 O -1.8802678 0.5331783 0.0000000 0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 5 Na 0.8912687 0.0000000 0.1501794 0.0000000 1.2381462 0.0000000 -0.0022352 0.0000000 0.9509204 6 Na 1.3036439 0.0000000 0.0000000 0.0000000 0.6816704 0.0000000 0.0000000 0.0000000 0.9768572 7 Na 0.8912687 0.0000000 -0.1501794 0.0000000 1.2381462 0.0000000 0.0022352 0.0000000 0.9509204 8 Na 0.8912687 0.0000000 0.1501794 0.0000000 1.2381462 0.0000000 -0.0022352 0.0000000 0.9509204 9 Na 1.3036439 0.0000000 0.0000000 0.0000000 0.6816704 0.0000000 0.0000000 0.0000000 0.9768572 10 Na 0.8912687 0.0000000 -0.1501794 0.0000000 1.2381462 0.0000000 0.0022352 0.0000000 0.9509204 11 Ag 0.6743543 0.9420708 0.0000000 0.9391801 0.6064545 0.0000000 0.0000000 0.0000000 0.4153104 12 Ag 0.6743543 -0.9420708 0.0000000 -0.9391801 0.6064545 0.0000000 0.0000000 0.0000000 0.4153104 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (752, 734), data: False |-- (112, 112), data: True |-- (118, 114), data: True |-- (118, 114), data: True |-- (118, 114), data: True |-- (126, 124), data: True |-- (160, 156), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 0.561 Solver_block: 200 / 240 - Time: 0.567 Solver_block: 240 / 240 - Time: 0.270 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.412 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 752 Number of blocks in projector: 752 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: 160 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 126 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 118 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 112 Use standard eigh solver. Tree of FC basis block matrices: - (752, 734), data: False |-- (112, 112), data: True |-- (118, 114), data: True |-- (118, 114), data: True |-- (118, 114), data: True |-- (126, 124), data: True |-- (160, 156), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:36:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:36:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.718072685000000 5.424051389999999 2.950890124999999 b 2.718072685000000 -5.424051389999999 2.950890124999999 c 2.718072685000000 5.424051389999999 -2.950890124999999 Atomic positions (fractional): 1 O 0.36544037851060 0.22815876946127 0.59359914797187 15.999 2 O 0.13455962148940 0.72815876946127 0.86271839095067 15.999 3 O 0.63455962148940 0.77184123053873 0.40640085202813 15.999 4 O 0.86544037851060 0.27184123053873 0.13728160904933 15.999 5 Na 0.01063552272147 0.25000000000000 0.76063552272147 22.990 6 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 7 Na 0.51063552272147 0.75000000000000 0.76063552272147 22.990 8 Na 0.98936447727853 0.75000000000000 0.23936447727853 22.990 9 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 10 Na 0.48936447727853 0.25000000000000 0.23936447727853 22.990 11 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 12 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.872290740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.848102779999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.803560499999998 Atomic positions (fractional): 1 O 0.36407938473064 0.86544037851060 0.25000000000000 15.999 > 1 2 O 0.86407938473063 0.86544037851060 0.25000000000000 15.999 > 1 3 O 0.36407938473064 0.86544037851060 0.75000000000000 15.999 > 1 4 O 0.86407938473063 0.86544037851060 0.75000000000000 15.999 > 1 5 O 0.11407938473064 0.63455962148940 0.25000000000000 15.999 > 5 6 O 0.61407938473063 0.63455962148940 0.25000000000000 15.999 > 5 7 O 0.11407938473064 0.63455962148940 0.75000000000000 15.999 > 5 8 O 0.61407938473063 0.63455962148940 0.75000000000000 15.999 > 5 9 O 0.38592061526936 0.63455962148940 0.00000000000000 15.999 > 9 10 O 0.88592061526937 0.63455962148940 0.00000000000000 15.999 > 9 11 O 0.38592061526936 0.63455962148940 0.50000000000000 15.999 > 9 12 O 0.88592061526937 0.63455962148940 0.50000000000000 15.999 > 9 13 O 0.13592061526936 0.86544037851060 0.00000000000000 15.999 > 13 14 O 0.63592061526937 0.86544037851060 0.00000000000000 15.999 > 13 15 O 0.13592061526936 0.86544037851060 0.50000000000000 15.999 > 13 16 O 0.63592061526937 0.86544037851060 0.50000000000000 15.999 > 13 17 O 0.11407938473064 0.36544037851060 0.00000000000000 15.999 > 1 18 O 0.61407938473063 0.36544037851060 0.00000000000000 15.999 > 1 19 O 0.11407938473064 0.36544037851060 0.50000000000000 15.999 > 1 20 O 0.61407938473063 0.36544037851060 0.50000000000000 15.999 > 1 21 O 0.36407938473064 0.13455962148940 0.00000000000000 15.999 > 5 22 O 0.86407938473063 0.13455962148940 0.00000000000000 15.999 > 5 23 O 0.36407938473064 0.13455962148940 0.50000000000000 15.999 > 5 24 O 0.86407938473063 0.13455962148940 0.50000000000000 15.999 > 5 25 O 0.13592061526936 0.13455962148940 0.25000000000000 15.999 > 9 26 O 0.63592061526937 0.13455962148940 0.25000000000000 15.999 > 9 27 O 0.13592061526936 0.13455962148940 0.75000000000000 15.999 > 9 28 O 0.63592061526937 0.13455962148940 0.75000000000000 15.999 > 9 29 O 0.38592061526936 0.36544037851060 0.25000000000000 15.999 > 13 30 O 0.88592061526937 0.36544037851060 0.25000000000000 15.999 > 13 31 O 0.38592061526936 0.36544037851060 0.75000000000000 15.999 > 13 32 O 0.88592061526937 0.36544037851060 0.75000000000000 15.999 > 13 33 Na 0.00000000000000 0.76063552272147 0.12500000000000 22.990 > 33 34 Na 0.50000000000000 0.76063552272147 0.12500000000000 22.990 > 33 35 Na 0.00000000000000 0.76063552272147 0.62500000000000 22.990 > 33 36 Na 0.50000000000000 0.76063552272147 0.62500000000000 22.990 > 33 37 Na 0.25000000000000 0.00000000000000 0.12500000000000 22.990 > 37 38 Na 0.75000000000000 0.00000000000000 0.12500000000000 22.990 > 37 39 Na 0.25000000000000 0.00000000000000 0.62500000000000 22.990 > 37 40 Na 0.75000000000000 0.00000000000000 0.62500000000000 22.990 > 37 41 Na 0.00000000000000 0.76063552272147 0.37500000000000 22.990 > 41 42 Na 0.50000000000000 0.76063552272147 0.37500000000000 22.990 > 41 43 Na 0.00000000000000 0.76063552272147 0.87500000000000 22.990 > 41 44 Na 0.50000000000000 0.76063552272147 0.87500000000000 22.990 > 41 45 Na 0.25000000000000 0.73936447727853 0.12500000000000 22.990 > 45 46 Na 0.75000000000000 0.73936447727853 0.12500000000000 22.990 > 45 47 Na 0.25000000000000 0.73936447727853 0.62500000000000 22.990 > 45 48 Na 0.75000000000000 0.73936447727853 0.62500000000000 22.990 > 45 49 Na 0.25000000000000 0.00000000000000 0.37500000000000 22.990 > 49 50 Na 0.75000000000000 0.00000000000000 0.37500000000000 22.990 > 49 51 Na 0.25000000000000 0.00000000000000 0.87500000000000 22.990 > 49 52 Na 0.75000000000000 0.00000000000000 0.87500000000000 22.990 > 49 53 Na 0.25000000000000 0.73936447727853 0.37500000000000 22.990 > 53 54 Na 0.75000000000000 0.73936447727853 0.37500000000000 22.990 > 53 55 Na 0.25000000000000 0.73936447727853 0.87500000000000 22.990 > 53 56 Na 0.75000000000000 0.73936447727853 0.87500000000000 22.990 > 53 57 Na 0.25000000000000 0.26063552272147 0.37500000000000 22.990 > 33 58 Na 0.75000000000000 0.26063552272147 0.37500000000000 22.990 > 33 59 Na 0.25000000000000 0.26063552272147 0.87500000000000 22.990 > 33 60 Na 0.75000000000000 0.26063552272147 0.87500000000000 22.990 > 33 61 Na 0.00000000000000 0.50000000000000 0.37500000000000 22.990 > 37 62 Na 0.50000000000000 0.50000000000000 0.37500000000000 22.990 > 37 63 Na 0.00000000000000 0.50000000000000 0.87500000000000 22.990 > 37 64 Na 0.50000000000000 0.50000000000000 0.87500000000000 22.990 > 37 65 Na 0.25000000000000 0.26063552272147 0.12500000000000 22.990 > 41 66 Na 0.75000000000000 0.26063552272147 0.12500000000000 22.990 > 41 67 Na 0.25000000000000 0.26063552272147 0.62500000000000 22.990 > 41 68 Na 0.75000000000000 0.26063552272147 0.62500000000000 22.990 > 41 69 Na 0.00000000000000 0.23936447727853 0.37500000000000 22.990 > 45 70 Na 0.50000000000000 0.23936447727853 0.37500000000000 22.990 > 45 71 Na 0.00000000000000 0.23936447727853 0.87500000000000 22.990 > 45 72 Na 0.50000000000000 0.23936447727853 0.87500000000000 22.990 > 45 73 Na 0.00000000000000 0.50000000000000 0.12500000000000 22.990 > 49 74 Na 0.50000000000000 0.50000000000000 0.12500000000000 22.990 > 49 75 Na 0.00000000000000 0.50000000000000 0.62500000000000 22.990 > 49 76 Na 0.50000000000000 0.50000000000000 0.62500000000000 22.990 > 49 77 Na 0.00000000000000 0.23936447727853 0.12500000000000 22.990 > 53 78 Na 0.50000000000000 0.23936447727853 0.12500000000000 22.990 > 53 79 Na 0.00000000000000 0.23936447727853 0.62500000000000 22.990 > 53 80 Na 0.50000000000000 0.23936447727853 0.62500000000000 22.990 > 53 81 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 81 82 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 81 83 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 81 84 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 81 85 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 85 86 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 85 87 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 85 88 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 85 89 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 81 90 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 81 91 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 81 92 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 81 93 Ag 0.25000000000000 0.50000000000000 0.25000000000000 107.868 > 85 94 Ag 0.75000000000000 0.50000000000000 0.25000000000000 107.868 > 85 95 Ag 0.25000000000000 0.50000000000000 0.75000000000000 107.868 > 85 96 Ag 0.75000000000000 0.50000000000000 0.75000000000000 107.868 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9457666 0.0000000 0.0000000 0.0000000 3.8858534 0.0000000 0.0000000 0.0000000 4.4774497 -------------------------- Born effective charges -------------------------- 1 O -1.8802678 -0.5331783 0.0000000 -0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 2 O -1.8802678 0.5331783 0.0000000 0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 3 O -1.8802678 -0.5331783 0.0000000 -0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 4 O -1.8802678 0.5331783 0.0000000 0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 5 Na 0.8912687 0.0000000 0.1501794 0.0000000 1.2381462 0.0000000 -0.0022352 0.0000000 0.9509204 6 Na 1.3036439 0.0000000 0.0000000 0.0000000 0.6816704 0.0000000 0.0000000 0.0000000 0.9768572 7 Na 0.8912687 0.0000000 -0.1501794 0.0000000 1.2381462 0.0000000 0.0022352 0.0000000 0.9509204 8 Na 0.8912687 0.0000000 0.1501794 0.0000000 1.2381462 0.0000000 -0.0022352 0.0000000 0.9509204 9 Na 1.3036439 0.0000000 0.0000000 0.0000000 0.6816704 0.0000000 0.0000000 0.0000000 0.9768572 10 Na 0.8912687 0.0000000 -0.1501794 0.0000000 1.2381462 0.0000000 0.0022352 0.0000000 0.9509204 11 Ag 0.6743543 0.9420708 0.0000000 0.9391801 0.6064545 0.0000000 0.0000000 0.0000000 0.4153104 12 Ag 0.6743543 -0.9420708 0.0000000 -0.9391801 0.6064545 0.0000000 0.0000000 0.0000000 0.4153104 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) 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 2026-01-07 19:36:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:36:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.718072685000000 5.424051389999999 2.950890124999999 b 2.718072685000000 -5.424051389999999 2.950890124999999 c 2.718072685000000 5.424051389999999 -2.950890124999999 Atomic positions (fractional): 1 O 0.36544037851060 0.22815876946127 0.59359914797187 15.999 2 O 0.13455962148940 0.72815876946127 0.86271839095067 15.999 3 O 0.63455962148940 0.77184123053873 0.40640085202813 15.999 4 O 0.86544037851060 0.27184123053873 0.13728160904933 15.999 5 Na 0.01063552272147 0.25000000000000 0.76063552272147 22.990 6 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 7 Na 0.51063552272147 0.75000000000000 0.76063552272147 22.990 8 Na 0.98936447727853 0.75000000000000 0.23936447727853 22.990 9 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 10 Na 0.48936447727853 0.25000000000000 0.23936447727853 22.990 11 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 12 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.872290740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.848102779999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.803560499999998 Atomic positions (fractional): 1 O 0.36407938473064 0.86544037851060 0.25000000000000 15.999 > 1 2 O 0.86407938473063 0.86544037851060 0.25000000000000 15.999 > 1 3 O 0.36407938473064 0.86544037851060 0.75000000000000 15.999 > 1 4 O 0.86407938473063 0.86544037851060 0.75000000000000 15.999 > 1 5 O 0.11407938473064 0.63455962148940 0.25000000000000 15.999 > 5 6 O 0.61407938473063 0.63455962148940 0.25000000000000 15.999 > 5 7 O 0.11407938473064 0.63455962148940 0.75000000000000 15.999 > 5 8 O 0.61407938473063 0.63455962148940 0.75000000000000 15.999 > 5 9 O 0.38592061526936 0.63455962148940 0.00000000000000 15.999 > 9 10 O 0.88592061526937 0.63455962148940 0.00000000000000 15.999 > 9 11 O 0.38592061526936 0.63455962148940 0.50000000000000 15.999 > 9 12 O 0.88592061526937 0.63455962148940 0.50000000000000 15.999 > 9 13 O 0.13592061526936 0.86544037851060 0.00000000000000 15.999 > 13 14 O 0.63592061526937 0.86544037851060 0.00000000000000 15.999 > 13 15 O 0.13592061526936 0.86544037851060 0.50000000000000 15.999 > 13 16 O 0.63592061526937 0.86544037851060 0.50000000000000 15.999 > 13 17 O 0.11407938473064 0.36544037851060 0.00000000000000 15.999 > 1 18 O 0.61407938473063 0.36544037851060 0.00000000000000 15.999 > 1 19 O 0.11407938473064 0.36544037851060 0.50000000000000 15.999 > 1 20 O 0.61407938473063 0.36544037851060 0.50000000000000 15.999 > 1 21 O 0.36407938473064 0.13455962148940 0.00000000000000 15.999 > 5 22 O 0.86407938473063 0.13455962148940 0.00000000000000 15.999 > 5 23 O 0.36407938473064 0.13455962148940 0.50000000000000 15.999 > 5 24 O 0.86407938473063 0.13455962148940 0.50000000000000 15.999 > 5 25 O 0.13592061526936 0.13455962148940 0.25000000000000 15.999 > 9 26 O 0.63592061526937 0.13455962148940 0.25000000000000 15.999 > 9 27 O 0.13592061526936 0.13455962148940 0.75000000000000 15.999 > 9 28 O 0.63592061526937 0.13455962148940 0.75000000000000 15.999 > 9 29 O 0.38592061526936 0.36544037851060 0.25000000000000 15.999 > 13 30 O 0.88592061526937 0.36544037851060 0.25000000000000 15.999 > 13 31 O 0.38592061526936 0.36544037851060 0.75000000000000 15.999 > 13 32 O 0.88592061526937 0.36544037851060 0.75000000000000 15.999 > 13 33 Na 0.00000000000000 0.76063552272147 0.12500000000000 22.990 > 33 34 Na 0.50000000000000 0.76063552272147 0.12500000000000 22.990 > 33 35 Na 0.00000000000000 0.76063552272147 0.62500000000000 22.990 > 33 36 Na 0.50000000000000 0.76063552272147 0.62500000000000 22.990 > 33 37 Na 0.25000000000000 0.00000000000000 0.12500000000000 22.990 > 37 38 Na 0.75000000000000 0.00000000000000 0.12500000000000 22.990 > 37 39 Na 0.25000000000000 0.00000000000000 0.62500000000000 22.990 > 37 40 Na 0.75000000000000 0.00000000000000 0.62500000000000 22.990 > 37 41 Na 0.00000000000000 0.76063552272147 0.37500000000000 22.990 > 41 42 Na 0.50000000000000 0.76063552272147 0.37500000000000 22.990 > 41 43 Na 0.00000000000000 0.76063552272147 0.87500000000000 22.990 > 41 44 Na 0.50000000000000 0.76063552272147 0.87500000000000 22.990 > 41 45 Na 0.25000000000000 0.73936447727853 0.12500000000000 22.990 > 45 46 Na 0.75000000000000 0.73936447727853 0.12500000000000 22.990 > 45 47 Na 0.25000000000000 0.73936447727853 0.62500000000000 22.990 > 45 48 Na 0.75000000000000 0.73936447727853 0.62500000000000 22.990 > 45 49 Na 0.25000000000000 0.00000000000000 0.37500000000000 22.990 > 49 50 Na 0.75000000000000 0.00000000000000 0.37500000000000 22.990 > 49 51 Na 0.25000000000000 0.00000000000000 0.87500000000000 22.990 > 49 52 Na 0.75000000000000 0.00000000000000 0.87500000000000 22.990 > 49 53 Na 0.25000000000000 0.73936447727853 0.37500000000000 22.990 > 53 54 Na 0.75000000000000 0.73936447727853 0.37500000000000 22.990 > 53 55 Na 0.25000000000000 0.73936447727853 0.87500000000000 22.990 > 53 56 Na 0.75000000000000 0.73936447727853 0.87500000000000 22.990 > 53 57 Na 0.25000000000000 0.26063552272147 0.37500000000000 22.990 > 33 58 Na 0.75000000000000 0.26063552272147 0.37500000000000 22.990 > 33 59 Na 0.25000000000000 0.26063552272147 0.87500000000000 22.990 > 33 60 Na 0.75000000000000 0.26063552272147 0.87500000000000 22.990 > 33 61 Na 0.00000000000000 0.50000000000000 0.37500000000000 22.990 > 37 62 Na 0.50000000000000 0.50000000000000 0.37500000000000 22.990 > 37 63 Na 0.00000000000000 0.50000000000000 0.87500000000000 22.990 > 37 64 Na 0.50000000000000 0.50000000000000 0.87500000000000 22.990 > 37 65 Na 0.25000000000000 0.26063552272147 0.12500000000000 22.990 > 41 66 Na 0.75000000000000 0.26063552272147 0.12500000000000 22.990 > 41 67 Na 0.25000000000000 0.26063552272147 0.62500000000000 22.990 > 41 68 Na 0.75000000000000 0.26063552272147 0.62500000000000 22.990 > 41 69 Na 0.00000000000000 0.23936447727853 0.37500000000000 22.990 > 45 70 Na 0.50000000000000 0.23936447727853 0.37500000000000 22.990 > 45 71 Na 0.00000000000000 0.23936447727853 0.87500000000000 22.990 > 45 72 Na 0.50000000000000 0.23936447727853 0.87500000000000 22.990 > 45 73 Na 0.00000000000000 0.50000000000000 0.12500000000000 22.990 > 49 74 Na 0.50000000000000 0.50000000000000 0.12500000000000 22.990 > 49 75 Na 0.00000000000000 0.50000000000000 0.62500000000000 22.990 > 49 76 Na 0.50000000000000 0.50000000000000 0.62500000000000 22.990 > 49 77 Na 0.00000000000000 0.23936447727853 0.12500000000000 22.990 > 53 78 Na 0.50000000000000 0.23936447727853 0.12500000000000 22.990 > 53 79 Na 0.00000000000000 0.23936447727853 0.62500000000000 22.990 > 53 80 Na 0.50000000000000 0.23936447727853 0.62500000000000 22.990 > 53 81 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 81 82 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 81 83 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 81 84 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 81 85 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 85 86 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 85 87 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 85 88 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 85 89 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 81 90 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 81 91 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 81 92 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 81 93 Ag 0.25000000000000 0.50000000000000 0.25000000000000 107.868 > 85 94 Ag 0.75000000000000 0.50000000000000 0.25000000000000 107.868 > 85 95 Ag 0.25000000000000 0.50000000000000 0.75000000000000 107.868 > 85 96 Ag 0.75000000000000 0.50000000000000 0.75000000000000 107.868 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9457666 0.0000000 0.0000000 0.0000000 3.8858534 0.0000000 0.0000000 0.0000000 4.4774497 -------------------------- Born effective charges -------------------------- 1 O -1.8802678 -0.5331783 0.0000000 -0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 2 O -1.8802678 0.5331783 0.0000000 0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 3 O -1.8802678 -0.5331783 0.0000000 -0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 4 O -1.8802678 0.5331783 0.0000000 0.4985118 -1.8822087 0.0000000 0.0000000 0.0000000 -1.6470042 5 Na 0.8912687 0.0000000 0.1501794 0.0000000 1.2381462 0.0000000 -0.0022352 0.0000000 0.9509204 6 Na 1.3036439 0.0000000 0.0000000 0.0000000 0.6816704 0.0000000 0.0000000 0.0000000 0.9768572 7 Na 0.8912687 0.0000000 -0.1501794 0.0000000 1.2381462 0.0000000 0.0022352 0.0000000 0.9509204 8 Na 0.8912687 0.0000000 0.1501794 0.0000000 1.2381462 0.0000000 -0.0022352 0.0000000 0.9509204 9 Na 1.3036439 0.0000000 0.0000000 0.0000000 0.6816704 0.0000000 0.0000000 0.0000000 0.9768572 10 Na 0.8912687 0.0000000 -0.1501794 0.0000000 1.2381462 0.0000000 0.0022352 0.0000000 0.9509204 11 Ag 0.6743543 0.9420708 0.0000000 0.9391801 0.6064545 0.0000000 0.0000000 0.0000000 0.4153104 12 Ag 0.6743543 -0.9420708 0.0000000 -0.9391801 0.6064545 0.0000000 0.0000000 0.0000000 0.4153104 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 1 720 ] Grid generation matrix: [ 0 9 9 ] [ 5 0 5 ] [ 8 8 0 ] 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: 0.74, Number of G-points: 277, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/135) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 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 3.016 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.797 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.999 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.924 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.138 ( 0.000 0.000 0.000) 0.000 8.601 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.698 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 8.926 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 12.564 ( 0.000 0.000 0.000) 0.000 14.015 ( 0.000 0.000 0.000) 0.000 14.208 ( 0.000 0.000 0.000) 0.000 14.360 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/135) ======================= q-point: ( 0.60 -0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -6.311 3.255 8.162) 10.819 2.310 ( -5.227 12.979 8.774) 16.515 2.476 ( -4.169 -2.400 -3.411) 5.897 2.709 ( -3.595 -0.295 -9.559) 10.217 3.040 ( -1.886 -2.629 -2.542) 4.114 3.113 ( 3.218 4.077 -0.909) 5.273 4.194 ( -14.424 -6.130 4.778) 16.384 4.428 ( -4.334 -0.509 -3.099) 5.352 4.438 ( -3.573 -4.916 4.006) 7.279 4.575 ( -9.356 -0.568 -0.907) 9.417 4.953 ( -6.783 6.053 26.584) 28.095 5.046 ( -0.925 -5.786 19.427) 20.292 5.170 ( 1.234 -1.019 22.810) 22.866 5.566 ( -0.148 0.106 2.543) 2.550 5.693 ( -2.221 0.065 1.810) 2.866 5.987 ( -2.690 -2.619 0.693) 3.818 6.254 ( -0.188 2.465 -17.999) 18.168 6.299 ( -2.329 4.732 1.227) 5.415 6.434 ( -3.018 -0.336 -13.725) 14.057 6.599 ( 0.114 0.244 -32.423) 32.424 7.194 ( -0.136 -2.590 2.296) 3.463 7.204 ( -1.559 -7.555 -0.985) 7.777 7.589 ( 4.158 3.471 1.541) 5.631 7.690 ( 13.958 1.321 -5.250) 14.971 8.316 ( 1.417 -0.153 3.422) 3.707 8.412 ( 4.179 -1.490 0.283) 4.446 8.532 ( 4.848 -6.221 1.051) 7.957 8.689 ( 7.882 4.170 0.582) 8.936 8.812 ( -2.840 -7.443 3.012) 8.517 9.112 ( 0.721 4.795 -3.171) 5.793 9.921 ( 12.724 10.013 8.693) 18.377 10.017 ( 10.613 -5.222 -5.199) 12.920 13.101 ( -8.172 1.660 6.557) 10.608 13.632 ( -4.366 3.104 -18.589) 19.345 14.482 ( -3.030 -4.080 3.012) 5.908 14.819 ( 6.318 3.653 -8.358) 11.095 ======================= Grid point 2 (3/135) ======================= q-point: ( 0.20 -0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -11.455 3.130 -5.362) 13.029 2.245 ( -9.089 2.216 -9.231) 13.143 2.763 ( -3.071 -1.005 4.122) 5.238 2.932 ( -2.244 0.644 0.949) 2.520 2.979 ( 4.012 -2.017 2.968) 5.382 3.188 ( 1.186 3.896 2.229) 4.643 3.887 ( 5.788 -2.393 -12.193) 13.707 4.214 ( 2.919 -0.523 -3.902) 4.901 4.494 ( 2.202 -5.150 -8.508) 10.186 4.560 ( 3.826 -0.618 -14.359) 14.873 4.707 ( 1.275 -1.928 -20.879) 21.007 5.199 ( -3.670 9.604 -1.340) 10.368 5.390 ( 0.557 4.531 -1.012) 4.676 5.822 ( -27.477 -1.266 -0.183) 27.507 5.999 ( -26.799 1.051 -2.464) 26.933 6.148 ( -0.287 -2.502 -1.254) 2.813 6.294 ( 13.222 3.580 12.607) 18.616 6.689 ( -3.944 -10.025 5.580) 12.133 6.793 ( 24.932 -0.050 -1.643) 24.987 6.827 ( 1.638 -0.844 12.165) 12.303 6.967 ( 0.960 0.129 8.668) 8.722 7.256 ( -1.542 -0.511 6.339) 6.544 7.333 ( 6.811 1.002 9.388) 11.642 7.593 ( 5.484 -3.412 1.734) 6.687 8.244 ( 3.910 1.998 -1.672) 4.699 8.337 ( 1.677 -0.073 2.844) 3.303 8.461 ( 4.695 -2.574 0.994) 5.445 8.635 ( 1.911 1.598 1.428) 2.871 8.717 ( -4.730 1.308 -5.308) 7.229 8.955 ( 4.785 -0.133 -4.062) 6.278 9.273 ( -3.180 -1.648 -5.074) 6.211 9.736 ( 0.460 2.432 1.511) 2.900 13.401 ( -4.943 0.969 3.960) 6.407 13.991 ( -3.755 6.561 14.828) 16.644 14.213 ( -4.267 0.186 -4.963) 6.548 15.096 ( 7.216 -5.723 11.814) 14.980 ======================= Grid point 3 (4/135) ======================= q-point: (-0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 18.559 -4.860 10.816) 22.024 1.802 ( 19.075 -9.446 5.746) 22.048 2.653 ( 15.225 1.253 0.040) 15.276 2.968 ( -0.953 -0.534 -2.689) 2.903 3.106 ( -3.587 1.735 -1.421) 4.230 3.190 ( 1.969 -4.882 0.280) 5.271 3.683 ( -5.307 2.801 11.848) 13.281 4.235 ( -5.131 -0.431 8.960) 10.334 4.357 ( -2.222 3.845 11.793) 12.602 4.428 ( -10.606 11.118 3.645) 15.792 4.533 ( -0.276 -1.654 -1.164) 2.041 5.068 ( 22.654 -8.228 -3.663) 24.379 5.230 ( 27.760 3.352 0.058) 27.961 5.327 ( 2.554 -3.104 1.394) 4.254 5.460 ( 4.005 -8.234 5.090) 10.476 6.127 ( -0.501 5.882 0.764) 5.953 6.623 ( 6.449 9.184 -2.879) 11.586 6.779 ( -2.555 -2.632 -12.663) 13.183 6.951 ( 2.205 1.482 1.284) 2.951 7.088 ( -4.055 0.840 -5.518) 6.899 7.269 ( -15.659 -3.215 4.803) 16.691 7.532 ( -9.011 2.081 -6.622) 11.375 7.640 ( -3.911 -3.011 -13.511) 14.385 7.763 ( -4.911 5.330 -4.858) 8.725 8.298 ( -5.997 3.413 3.862) 7.907 8.404 ( 3.639 1.297 2.266) 4.478 8.465 ( -3.803 0.675 -3.797) 5.416 8.616 ( -4.959 1.815 -0.439) 5.299 8.806 ( -8.626 -3.624 5.073) 10.643 8.934 ( -3.505 1.267 5.468) 6.618 9.119 ( 4.363 1.057 2.265) 5.029 9.772 ( -4.387 -8.232 2.661) 9.701 13.253 ( 15.186 -0.920 -1.894) 15.331 14.146 ( 1.576 -4.135 -4.319) 6.184 14.177 ( -2.089 -7.246 -2.974) 8.106 15.491 ( -5.588 9.293 -12.952) 16.892 ======================= Grid point 4 (5/135) ======================= q-point: ( 0.39 0.11 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 3.764 7.965 11.987) 14.876 2.219 ( 2.421 6.259 4.262) 7.950 2.431 ( 2.997 -6.133 1.159) 6.924 2.510 ( 1.797 -10.730 -11.868) 16.100 3.020 ( -0.280 4.145 1.632) 4.464 3.078 ( 2.323 -1.775 1.069) 3.113 3.903 ( 15.613 6.547 -2.755) 17.152 4.010 ( 15.469 -4.635 0.414) 16.154 4.548 ( -2.975 2.080 -0.872) 3.733 4.587 ( -3.193 -2.011 0.429) 3.798 5.348 ( -3.510 3.745 -6.869) 8.575 5.465 ( -3.583 -7.328 -2.098) 8.423 5.644 ( -2.257 0.929 -10.972) 11.241 5.662 ( -2.333 -0.818 7.613) 8.004 5.764 ( 1.091 0.534 5.317) 5.454 5.788 ( 2.158 -1.508 1.841) 3.213 5.871 ( 3.782 2.090 -2.153) 4.828 5.904 ( 3.894 -1.236 6.514) 7.690 6.201 ( 2.659 8.238 4.954) 9.974 6.360 ( 1.574 -8.212 -6.526) 10.607 7.158 ( 0.820 7.422 -1.905) 7.706 7.221 ( 1.944 1.328 -0.872) 2.511 7.759 ( -5.585 -2.597 6.504) 8.958 7.804 ( -5.533 -6.791 -7.599) 11.596 8.421 ( -3.085 2.042 3.622) 5.178 8.461 ( -2.646 -2.075 -2.699) 4.312 8.657 ( -3.415 7.107 -2.787) 8.363 8.776 ( -0.883 -4.628 1.231) 4.869 8.885 ( -1.638 5.700 -3.836) 7.064 8.994 ( 2.514 -5.126 4.381) 7.197 10.068 ( -7.161 14.120 7.741) 17.623 10.334 ( -9.483 -13.842 -6.962) 18.166 13.175 ( 3.367 0.347 7.929) 8.621 13.203 ( 3.965 -2.609 -5.781) 7.480 14.544 ( -0.272 10.712 -5.801) 12.185 14.719 ( -0.064 -7.845 7.412) 10.793 ======================= Grid point 5 (6/135) ======================= q-point: (-0.01 -0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -20.282 -0.000 -16.419) 26.095 0.865 ( -19.523 0.000 -20.323) 28.181 1.359 ( -32.530 -0.000 -28.170) 43.032 3.035 ( -1.954 -0.000 1.080) 2.232 3.106 ( 2.715 -0.000 4.229) 5.026 3.384 ( 3.498 0.000 3.441) 4.907 3.885 ( 2.490 0.000 -10.282) 10.579 4.053 ( -16.910 -0.000 1.482) 16.975 4.198 ( -13.350 -0.000 1.685) 13.456 4.377 ( 1.620 0.000 -12.298) 12.404 4.485 ( 0.514 0.000 -11.336) 11.347 4.492 ( -0.279 0.000 -2.982) 2.995 4.988 ( 6.598 0.000 4.042) 7.737 5.391 ( 0.790 0.000 -4.490) 4.559 5.675 ( 12.264 0.000 2.798) 12.579 6.205 ( -0.226 -0.000 4.940) 4.945 6.244 ( -13.913 -0.000 3.508) 14.349 6.717 ( -0.472 -0.000 6.960) 6.976 6.851 ( -2.917 -0.000 -0.799) 3.024 7.077 ( -4.965 -0.000 -1.186) 5.105 7.393 ( 0.403 -0.000 4.285) 4.304 7.742 ( 0.192 -0.000 22.197) 22.198 7.971 ( 6.449 0.000 2.805) 7.033 8.061 ( 4.508 0.000 1.311) 4.695 8.541 ( 4.906 0.000 0.742) 4.962 8.620 ( 6.664 0.000 1.587) 6.850 8.633 ( 3.014 -0.000 4.160) 5.137 8.790 ( 0.170 0.000 -5.249) 5.252 8.932 ( -4.429 -0.000 0.605) 4.470 8.960 ( 0.168 0.000 -7.048) 7.050 9.015 ( 0.761 0.000 -1.995) 2.135 10.372 ( 39.568 0.000 -32.755) 51.367 12.673 ( -8.559 -0.000 -1.451) 8.681 13.954 ( -1.851 -0.000 7.330) 7.560 14.317 ( 3.200 0.000 0.630) 3.261 15.195 ( -39.388 -0.000 38.256) 54.908 ======================= Grid point 6 (7/135) ======================= q-point: ( 0.59 -0.34 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -8.430 6.734 7.467) 13.121 2.333 ( -7.634 9.881 4.102) 13.143 2.576 ( -5.787 -1.020 0.553) 5.902 2.892 ( -1.113 -0.771 -4.456) 4.657 3.031 ( 4.286 0.667 -0.452) 4.361 3.209 ( -1.961 -0.245 -6.525) 6.818 4.069 ( 6.137 -8.742 17.283) 20.318 4.153 ( 3.278 5.948 6.517) 9.413 4.446 ( 2.551 -7.507 4.515) 9.124 4.531 ( 1.998 0.245 11.553) 11.727 4.660 ( 0.559 0.417 20.286) 20.298 5.091 ( -24.302 -2.222 0.297) 24.405 5.158 ( -24.570 0.611 4.171) 24.929 5.596 ( -8.550 2.770 1.857) 9.177 5.728 ( -6.164 -5.190 1.314) 8.165 5.984 ( -2.906 -1.964 3.592) 5.020 6.344 ( -3.213 4.558 0.183) 5.580 6.595 ( 2.782 3.301 -15.379) 15.974 6.764 ( -2.983 -0.265 -11.643) 12.022 6.994 ( 5.374 -0.741 -1.087) 5.532 7.271 ( 2.590 1.180 -22.922) 23.098 7.323 ( 5.185 -7.344 -2.898) 9.445 7.410 ( 13.442 1.617 -3.617) 14.014 7.496 ( 6.353 -1.110 0.383) 6.461 8.229 ( 1.000 -3.047 3.657) 4.864 8.336 ( 1.025 -2.485 -0.570) 2.748 8.422 ( 1.486 -3.110 2.143) 4.058 8.553 ( 3.791 0.235 -0.802) 3.882 8.807 ( -1.868 -4.390 2.973) 5.621 9.094 ( 4.673 4.846 -0.534) 6.753 9.459 ( 10.758 6.832 10.202) 16.324 9.931 ( 8.358 1.386 -4.809) 9.742 13.234 ( -10.691 0.059 0.156) 10.692 14.095 ( -2.572 1.361 -15.465) 15.736 14.481 ( 2.844 8.851 -2.216) 9.557 14.870 ( 3.789 -7.425 -7.738) 11.373 ======================= Grid point 7 (8/135) ======================= q-point: ( 0.19 -0.57 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 0.284 0.147 -3.875) 3.888 2.471 ( -0.228 2.219 -2.701) 3.504 2.716 ( -0.001 -1.789 0.364) 1.826 2.795 ( 2.824 0.971 5.096) 5.906 3.005 ( -0.475 -2.670 -0.226) 2.721 3.104 ( -1.487 0.033 3.527) 3.828 4.011 ( -2.905 -1.560 -5.554) 6.459 4.200 ( -1.686 3.882 3.004) 5.190 4.778 ( 9.289 -1.352 -20.360) 22.420 4.857 ( -0.026 0.589 -18.504) 18.513 5.148 ( 0.577 -1.149 -21.235) 21.274 5.304 ( -2.111 1.618 -0.374) 2.686 5.413 ( 1.579 4.136 -4.026) 5.984 5.707 ( 16.868 7.031 8.512) 20.160 6.096 ( 4.484 -5.183 3.939) 7.905 6.143 ( -7.410 -2.278 8.973) 11.858 6.237 ( 13.971 0.138 0.614) 13.985 6.519 ( 2.878 -1.754 0.569) 3.418 6.537 ( 0.119 -2.175 7.600) 7.906 6.657 ( -7.018 -0.981 11.416) 13.437 6.802 ( -1.398 1.551 13.679) 13.837 7.029 ( -16.381 -0.129 -0.370) 16.385 7.376 ( -0.145 -3.797 -2.228) 4.405 7.435 ( 4.803 -1.345 0.251) 4.995 8.231 ( 1.276 2.972 -0.889) 3.355 8.272 ( -0.392 2.563 0.070) 2.594 8.417 ( -0.649 0.423 -1.611) 1.788 8.496 ( 0.947 0.865 1.526) 1.993 8.864 ( 6.458 1.542 -1.173) 6.742 9.033 ( -9.103 -1.815 -1.087) 9.345 9.501 ( -8.581 -2.440 -6.370) 10.962 9.682 ( -2.922 0.210 6.105) 6.772 13.367 ( 2.212 0.166 -0.370) 2.249 13.715 ( -1.011 4.171 15.315) 15.905 14.481 ( -8.401 -2.916 -5.911) 10.678 14.712 ( 7.358 -0.846 9.448) 12.005 ======================= Grid point 8 (9/135) ======================= q-point: (-0.21 0.21 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 21.806 -10.306 -0.000) 24.119 1.284 ( 23.237 -14.560 -0.000) 27.422 2.090 ( 34.164 -10.594 -0.000) 35.769 3.049 ( -2.894 2.448 0.000) 3.790 3.116 ( 2.634 -2.452 -0.000) 3.598 3.258 ( -6.540 3.376 0.000) 7.360 3.673 ( -4.584 3.624 0.000) 5.843 4.182 ( -1.935 1.553 0.000) 2.481 4.252 ( -1.356 2.257 0.000) 2.633 4.508 ( 17.120 5.010 -0.000) 17.838 4.543 ( 1.920 -4.256 -0.000) 4.669 4.596 ( 26.688 0.473 -0.000) 26.692 4.757 ( -7.652 7.634 0.000) 10.809 5.365 ( 0.757 -2.949 -0.000) 3.044 5.529 ( -12.761 -8.544 0.000) 15.357 6.134 ( -0.578 9.017 0.000) 9.036 6.472 ( 10.073 6.503 -0.000) 11.990 6.888 ( 1.420 -1.428 -0.000) 2.013 6.926 ( 5.362 -3.060 -0.000) 6.173 7.165 ( 1.734 -3.479 -0.000) 3.887 7.309 ( -3.484 6.036 0.000) 6.970 7.812 ( -6.838 2.789 0.000) 7.385 7.918 ( -7.799 5.037 0.000) 9.284 8.062 ( -9.517 -4.387 0.000) 10.479 8.323 ( -5.029 6.816 0.000) 8.470 8.397 ( -4.458 2.740 0.000) 5.232 8.663 ( -7.243 2.926 0.000) 7.812 8.663 ( -1.644 -1.777 0.000) 2.421 8.848 ( -1.794 8.451 0.000) 8.640 8.896 ( -2.332 -8.077 0.000) 8.407 9.007 ( 3.862 -1.749 -0.000) 4.240 9.833 ( -7.006 -15.431 0.000) 16.947 12.942 ( 15.204 -1.591 -0.000) 15.287 14.157 ( 3.540 -5.958 -0.000) 6.930 14.277 ( -4.514 -4.957 0.000) 6.705 15.814 ( -7.211 10.985 0.000) 13.140 ======================= Grid point 9 (10/135) ======================= q-point: ( 0.39 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -0.000 12.888 16.935) 21.281 1.915 ( -0.000 15.737 16.103) 22.515 2.515 ( 0.000 -4.448 -1.510) 4.698 2.735 ( 0.000 -8.642 -9.805) 13.070 2.877 ( -0.000 4.666 4.724) 6.640 3.126 ( -0.000 2.654 -4.593) 5.305 3.792 ( -0.000 3.244 -2.637) 4.180 3.851 ( 0.000 -6.855 -0.409) 6.867 4.586 ( 0.000 -4.845 7.053) 8.557 4.603 ( -0.000 2.906 -1.441) 3.244 4.925 ( 0.000 -5.106 28.905) 29.353 5.191 ( 0.000 -7.005 22.784) 23.837 5.344 ( 0.000 -1.038 22.168) 22.192 5.574 ( 0.000 0.357 5.692) 5.703 5.578 ( 0.000 -2.442 -5.309) 5.844 5.933 ( -0.000 1.819 -6.914) 7.149 6.124 ( -0.000 8.240 0.370) 8.248 6.218 ( -0.000 1.249 -17.823) 17.867 6.400 ( 0.000 -3.310 -17.848) 18.152 6.619 ( 0.000 -2.956 -28.073) 28.228 7.203 ( -0.000 2.300 -0.454) 2.344 7.243 ( -0.000 4.363 -5.207) 6.794 7.674 ( 0.000 -7.760 5.830) 9.706 8.035 ( 0.000 -8.273 -7.117) 10.913 8.328 ( -0.000 2.698 5.735) 6.338 8.573 ( -0.000 0.960 -3.291) 3.428 8.713 ( 0.000 -4.951 3.494) 6.060 8.759 ( -0.000 0.520 -0.176) 0.549 8.931 ( -0.000 1.861 -1.358) 2.304 8.974 ( -0.000 3.390 -4.128) 5.342 9.943 ( -0.000 16.196 10.804) 19.469 10.561 ( 0.000 -16.021 -3.583) 16.417 12.852 ( -0.000 1.213 11.069) 11.136 13.480 ( -0.000 0.954 -16.177) 16.205 14.503 ( 0.000 -5.576 9.210) 10.766 14.758 ( -0.000 14.354 -11.537) 18.416 ======================= Grid point 10 (11/135) ======================= q-point: (-0.01 -0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -17.641 -0.000 -14.765) 23.004 1.630 ( -16.464 -0.000 -16.647) 23.413 2.384 ( -18.865 -0.000 -14.410) 23.740 2.919 ( 2.885 -0.000 6.036) 6.690 3.052 ( -2.732 -0.000 0.357) 2.756 3.224 ( 3.656 -0.000 4.506) 5.802 4.113 ( 3.834 0.000 -15.659) 16.121 4.405 ( -19.654 -0.000 2.229) 19.780 4.511 ( -7.905 -0.000 -0.622) 7.930 4.552 ( 8.638 0.000 -3.857) 9.460 4.652 ( -19.051 -0.000 -6.555) 20.147 4.845 ( 5.243 0.000 -11.869) 12.976 4.873 ( -2.212 0.000 -20.824) 20.941 5.430 ( 7.911 0.000 -1.156) 7.995 5.439 ( 2.595 0.000 -2.825) 3.836 6.125 ( -3.090 -0.000 5.420) 6.239 6.413 ( -11.547 -0.000 5.075) 12.613 6.477 ( 1.445 -0.000 14.074) 14.148 6.905 ( -3.437 -0.000 6.913) 7.721 7.006 ( 2.991 -0.000 9.523) 9.982 7.229 ( 0.660 -0.000 18.130) 18.142 7.449 ( -7.640 -0.000 -0.018) 7.640 7.665 ( 15.655 0.000 3.878) 16.128 7.898 ( 9.355 0.000 1.994) 9.565 8.434 ( 0.411 -0.000 1.618) 1.670 8.440 ( 6.618 0.000 2.157) 6.960 8.479 ( 5.046 0.000 1.732) 5.335 8.807 ( 3.158 0.000 1.482) 3.488 8.957 ( 8.043 0.000 -0.813) 8.084 9.025 ( -4.038 -0.000 -1.590) 4.340 9.159 ( -1.690 0.000 -8.895) 9.054 10.197 ( 24.178 0.000 -12.401) 27.173 12.934 ( -11.941 -0.000 -2.226) 12.147 13.793 ( -2.583 -0.000 11.682) 11.964 14.237 ( 3.415 0.000 -0.747) 3.496 15.149 ( -11.624 -0.000 16.045) 19.813 ======================= Grid point 11 (12/135) ======================= q-point: ( 0.58 -0.46 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -3.419 4.155 5.147) 7.447 2.310 ( 2.289 3.161 1.355) 4.132 2.786 ( -8.938 -0.090 -2.667) 9.328 2.980 ( -1.122 -1.464 -1.881) 2.634 2.998 ( 1.184 -1.095 -1.484) 2.192 3.296 ( 1.478 0.536 -0.434) 1.631 3.620 ( 2.795 -9.901 12.749) 16.382 3.919 ( 5.529 13.611 3.740) 15.160 4.167 ( -2.373 -6.466 11.727) 13.600 4.284 ( 0.463 2.438 12.595) 12.837 4.538 ( 0.762 -0.123 -3.522) 3.606 5.337 ( -3.516 -5.127 0.480) 6.236 5.426 ( -4.710 -5.418 0.696) 7.213 5.853 ( -7.786 5.829 1.835) 9.898 6.019 ( -24.539 -1.692 2.094) 24.687 6.109 ( -19.856 -0.108 -1.359) 19.903 6.371 ( 1.334 5.145 0.872) 5.386 6.557 ( 19.347 -2.296 -2.407) 19.631 6.825 ( 24.602 3.319 -1.872) 24.895 7.025 ( -0.759 -0.454 -5.387) 5.459 7.060 ( 0.574 -0.460 -5.523) 5.571 7.355 ( 0.069 -1.238 -0.891) 1.527 7.535 ( -4.613 -3.428 -3.947) 6.972 7.655 ( 4.260 1.153 -15.191) 15.819 8.127 ( -0.226 -0.786 4.166) 4.246 8.374 ( 0.745 -0.500 -2.497) 2.653 8.435 ( -5.559 -3.364 1.138) 6.596 8.553 ( -1.536 -1.885 -0.162) 2.437 8.732 ( 3.656 2.806 3.772) 5.955 8.900 ( 6.849 1.007 3.985) 7.988 9.196 ( 1.211 2.454 3.065) 4.109 9.871 ( 4.811 1.048 -2.350) 5.456 13.471 ( -7.856 -1.406 -2.589) 8.390 14.187 ( 5.415 2.471 1.127) 6.058 14.580 ( 5.744 -1.107 -12.272) 13.595 15.009 ( -4.917 0.161 -4.316) 6.545 ======================= Grid point 12 (13/135) ======================= q-point: ( 0.18 0.32 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 6.635 3.860 4.688) 8.994 2.447 ( 9.879 0.366 6.700) 11.942 2.611 ( -2.088 -0.249 -0.644) 2.199 2.794 ( 5.121 -5.007 -0.541) 7.183 2.919 ( -1.009 0.711 -1.351) 1.830 3.168 ( -2.638 -3.642 -0.078) 4.498 4.219 ( -7.886 1.198 -2.710) 8.424 4.247 ( -5.392 1.989 -0.022) 5.747 4.760 ( 19.617 5.403 -7.966) 21.852 4.993 ( 19.524 -2.065 5.488) 20.385 5.243 ( -0.487 0.924 -8.798) 8.860 5.416 ( -1.464 1.080 1.070) 2.111 5.493 ( -4.497 1.984 -1.060) 5.028 5.625 ( 2.720 -3.100 -0.443) 4.148 5.801 ( 2.976 3.695 -2.582) 5.401 5.916 ( 4.694 -2.310 18.511) 19.236 6.038 ( 4.721 3.308 9.374) 11.005 6.155 ( 9.330 0.514 -9.959) 13.656 6.340 ( 7.166 -4.074 -1.486) 8.376 6.552 ( 1.347 -4.781 -3.713) 6.201 7.135 ( -14.337 -0.357 -1.515) 14.421 7.253 ( 0.698 0.345 0.788) 1.108 7.374 ( -5.291 0.490 -4.494) 6.959 7.522 ( -9.146 -4.975 -0.501) 10.423 8.266 ( -3.454 2.115 -1.541) 4.333 8.338 ( -2.714 4.733 -1.516) 5.662 8.470 ( -0.190 -3.277 -1.827) 3.757 8.610 ( -6.549 -1.471 -1.528) 6.884 8.764 ( 0.913 6.175 -0.904) 6.307 9.135 ( -1.375 -2.745 1.212) 3.301 9.594 ( -4.543 2.637 9.219) 10.611 9.879 ( -16.662 -3.952 -3.463) 17.471 13.359 ( 4.418 0.339 1.379) 4.640 13.424 ( 3.268 1.255 2.635) 4.382 14.422 ( 3.513 3.665 5.679) 7.617 14.758 ( -4.619 -4.166 -5.695) 8.434 ======================= Grid point 13 (14/135) ======================= q-point: (-0.22 0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 15.441 -16.620 -14.388) 26.864 0.984 ( 16.406 -12.235 -17.648) 27.024 1.594 ( 25.635 -23.592 -21.652) 41.019 3.033 ( 2.644 0.113 1.362) 2.976 3.073 ( -2.476 3.411 4.096) 5.878 3.340 ( -3.302 4.003 3.164) 6.077 3.850 ( -2.101 3.990 -10.512) 11.439 4.054 ( 16.997 -0.050 1.308) 17.048 4.150 ( 13.784 4.746 0.442) 14.585 4.356 ( -0.877 2.409 -12.185) 12.452 4.459 ( -1.332 2.166 -13.479) 13.717 4.549 ( -0.066 -5.419 -0.102) 5.420 4.940 ( -9.243 5.973 4.194) 11.777 5.392 ( -1.037 -0.560 -3.290) 3.495 5.739 ( -9.363 -4.236 2.917) 10.683 6.108 ( 1.460 7.785 3.156) 8.526 6.232 ( 10.969 2.026 1.296) 11.230 6.731 ( 1.323 -1.576 7.318) 7.602 6.853 ( 1.925 0.206 2.465) 3.135 7.111 ( 3.860 -3.296 -0.539) 5.104 7.351 ( 0.123 3.559 0.472) 3.593 7.784 ( -1.827 -3.683 19.293) 19.726 7.870 ( -1.878 10.972 4.040) 11.842 8.076 ( -6.874 -2.561 2.948) 7.906 8.450 ( -1.613 9.943 1.588) 10.197 8.557 ( -4.921 2.412 -1.854) 5.785 8.658 ( -3.799 -3.155 1.931) 5.302 8.812 ( -3.288 2.335 0.267) 4.042 8.851 ( 2.699 5.510 -2.325) 6.562 9.014 ( -0.107 -5.171 -3.869) 6.459 9.122 ( -2.875 -10.713 -10.524) 15.290 10.336 ( -24.839 1.957 -19.317) 31.527 12.692 ( 9.505 -0.923 -1.253) 9.631 14.003 ( 2.201 -5.435 8.476) 10.306 14.325 ( 1.527 0.092 -1.448) 2.106 15.356 ( 14.563 -12.220 35.005) 39.834 ======================= Grid point 14 (15/135) ======================= q-point: ( 0.38 -0.13 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -11.229 14.925 13.906) 23.286 1.624 ( -6.069 16.003 16.355) 23.672 2.390 ( -5.307 13.215 12.528) 18.967 2.893 ( 0.398 -3.518 -5.506) 6.546 2.957 ( -3.843 -0.592 -4.939) 6.286 3.211 ( 1.388 -0.292 -3.509) 3.785 3.969 ( -8.891 -6.500 2.757) 11.353 4.032 ( -16.872 0.204 -1.577) 16.947 4.181 ( -7.095 -4.660 21.058) 22.704 4.595 ( 2.710 -0.951 6.638) 7.233 4.628 ( 1.387 0.758 2.964) 3.359 4.770 ( 4.796 -8.631 10.564) 14.460 4.820 ( 3.497 -2.482 19.800) 20.259 5.472 ( 1.126 1.925 2.496) 3.347 5.690 ( -0.553 -3.413 -2.334) 4.172 5.987 ( 0.215 -1.560 -0.014) 1.575 6.190 ( -4.910 1.192 -1.164) 5.185 6.551 ( 0.029 1.997 -13.218) 13.368 6.655 ( -2.611 -4.434 -9.047) 10.408 7.170 ( 2.812 3.414 -4.923) 6.618 7.331 ( -4.314 0.300 -12.267) 13.007 7.347 ( 1.631 1.641 -14.818) 14.998 7.581 ( 0.481 -11.586 1.099) 11.648 8.046 ( 8.772 -2.131 -2.950) 9.497 8.275 ( -0.501 -1.679 -0.811) 1.931 8.550 ( 5.459 -1.740 0.674) 5.769 8.663 ( 0.975 -1.696 0.317) 1.982 8.755 ( -0.672 -1.579 0.617) 1.824 8.845 ( 6.218 -1.406 1.134) 6.475 9.106 ( -0.915 4.514 -2.380) 5.184 9.631 ( 5.287 14.512 12.793) 20.055 10.423 ( 12.956 -9.310 3.094) 16.251 12.764 ( -8.701 0.669 5.087) 10.101 13.854 ( -2.248 6.501 -16.328) 17.717 14.381 ( -3.282 -2.123 4.851) 6.230 15.059 ( 0.245 10.477 -17.263) 20.195 ======================= Grid point 15 (16/135) ======================= q-point: (-0.02 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -11.079 -0.000 -9.768) 14.770 2.227 ( -12.239 -0.000 -11.873) 17.052 2.654 ( -0.497 -0.000 1.963) 2.025 2.831 ( -3.997 -0.000 1.560) 4.291 3.039 ( 4.634 -0.000 5.080) 6.877 3.156 ( -1.002 0.000 -2.158) 2.380 4.217 ( 5.269 0.000 -2.506) 5.834 4.297 ( 9.116 0.000 4.164) 10.022 4.774 ( -6.338 0.000 -15.679) 16.912 4.812 ( -17.969 -0.000 1.559) 18.036 5.152 ( 5.742 0.000 -20.431) 21.223 5.223 ( -7.623 0.000 -14.463) 16.349 5.395 ( 3.291 0.000 1.312) 3.543 5.399 ( -10.135 0.000 -12.146) 15.819 5.555 ( -16.657 -0.000 -9.217) 19.036 6.048 ( 1.200 -0.000 12.381) 12.439 6.116 ( -1.622 -0.000 12.153) 12.261 6.473 ( -7.085 -0.000 11.907) 13.855 6.578 ( -6.919 -0.000 16.806) 18.175 6.722 ( 3.290 -0.000 8.340) 8.966 7.192 ( 22.287 0.000 3.319) 22.533 7.211 ( -6.795 -0.000 -1.627) 6.987 7.460 ( 9.712 0.000 2.888) 10.132 7.634 ( 4.206 0.000 4.130) 5.894 8.278 ( 4.831 0.000 1.478) 5.052 8.327 ( 3.276 0.000 2.443) 4.087 8.559 ( -7.741 -0.000 -2.925) 8.275 8.639 ( 4.741 -0.000 5.289) 7.103 8.735 ( 11.659 0.000 1.120) 11.713 9.116 ( 0.519 0.000 -2.345) 2.402 9.373 ( -0.762 0.000 -8.619) 8.653 9.924 ( 17.386 0.000 -2.580) 17.577 13.208 ( -8.034 -0.000 -3.592) 8.801 13.591 ( -2.246 -0.000 11.345) 11.565 14.269 ( -1.690 0.000 -5.036) 5.312 14.973 ( 1.090 -0.000 10.700) 10.755 ======================= Grid point 16 (17/135) ======================= q-point: (-0.42 0.42 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 10.830 -4.559 -0.000) 11.750 2.210 ( 7.724 -5.546 -0.000) 9.509 2.852 ( 7.569 1.840 -0.000) 7.789 3.012 ( 0.406 -0.526 -0.000) 0.665 3.019 ( -1.978 -1.133 0.000) 2.279 3.300 ( -6.108 6.015 0.000) 8.573 3.461 ( 2.411 -12.627 -0.000) 12.856 3.903 ( -8.829 13.982 0.000) 16.536 4.091 ( -2.607 -3.377 0.000) 4.266 4.136 ( 0.352 4.387 -0.000) 4.401 4.574 ( -0.315 -0.869 0.000) 0.925 5.373 ( -1.126 -3.319 0.000) 3.505 5.446 ( 1.062 -3.637 -0.000) 3.789 5.802 ( 12.161 3.197 -0.000) 12.574 5.869 ( 30.214 -8.348 -0.000) 31.346 6.111 ( 16.365 -0.293 -0.000) 16.368 6.494 ( -0.159 15.065 -0.000) 15.065 6.630 ( -20.686 2.695 0.000) 20.860 6.773 ( -24.771 -5.171 0.000) 25.305 7.053 ( -1.372 -1.545 0.000) 2.066 7.145 ( 0.187 -0.642 -0.000) 0.668 7.402 ( 0.868 3.232 -0.000) 3.347 7.667 ( -0.875 4.218 0.000) 4.308 7.806 ( -4.198 -2.939 0.000) 5.125 8.087 ( -1.678 1.851 0.000) 2.498 8.413 ( -2.153 0.570 0.000) 2.227 8.457 ( 5.199 1.585 -0.000) 5.435 8.591 ( -2.886 0.907 0.000) 3.025 8.614 ( -2.071 -3.204 0.000) 3.815 8.831 ( -2.750 -1.013 0.000) 2.931 9.148 ( 1.495 0.286 -0.000) 1.522 9.850 ( -0.742 -3.714 0.000) 3.787 13.528 ( 7.489 0.926 -0.000) 7.546 14.114 ( -3.066 -2.454 0.000) 3.927 14.587 ( 6.209 -12.728 -0.000) 14.162 15.213 ( -8.304 13.259 0.000) 15.645 ======================= Grid point 17 (18/135) ======================= q-point: ( 0.18 0.20 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 11.095 7.063 14.346) 19.463 1.987 ( 13.145 3.696 13.463) 19.176 2.596 ( 1.788 -2.739 3.554) 4.830 2.802 ( -0.003 0.142 -4.606) 4.609 3.001 ( 2.159 -4.369 -2.571) 5.510 3.142 ( 2.061 1.513 -1.174) 2.813 4.259 ( 11.923 3.588 -2.212) 12.646 4.403 ( 4.835 -5.018 -0.007) 6.969 4.491 ( 4.563 3.023 0.024) 5.474 4.575 ( 7.957 0.497 -1.347) 8.085 4.968 ( 5.388 -2.665 27.104) 27.762 5.211 ( -3.776 -2.773 19.649) 20.200 5.327 ( -1.432 -4.697 23.116) 23.632 5.414 ( -2.581 1.305 2.621) 3.903 5.623 ( -2.867 8.257 1.429) 8.857 5.983 ( 5.754 -0.412 -5.516) 7.981 6.154 ( -1.583 2.019 -17.832) 18.016 6.269 ( 8.243 -1.822 -5.611) 10.136 6.476 ( 2.607 -0.393 -26.387) 26.518 6.721 ( -0.924 -5.474 -12.202) 13.405 7.114 ( 2.827 3.550 -1.447) 4.763 7.392 ( 8.182 0.250 -5.073) 9.630 7.586 ( -14.591 -3.135 -0.964) 14.955 7.813 ( -13.570 -5.010 -1.785) 14.575 8.350 ( 0.991 -2.744 0.035) 2.917 8.454 ( -4.402 1.456 -1.276) 4.809 8.468 ( -5.033 3.250 -0.690) 6.031 8.776 ( -6.136 0.005 -1.475) 6.311 8.855 ( -0.398 -0.686 -2.810) 2.920 9.079 ( 2.901 -1.914 1.308) 3.713 9.490 ( -6.166 9.582 10.853) 15.736 10.283 ( -20.146 -6.215 1.449) 21.133 13.053 ( 8.690 1.584 7.285) 11.450 13.547 ( 2.458 -0.006 -12.031) 12.280 14.336 ( -2.379 7.198 1.872) 7.809 14.885 ( 5.407 -3.535 -6.724) 9.325 ======================= Grid point 18 (19/135) ======================= q-point: (-0.22 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 0.000 -12.150 -20.622) 23.935 1.227 ( 0.000 -16.999 -19.857) 26.139 2.010 ( 0.000 -13.075 -30.871) 33.526 2.963 ( -0.000 2.281 2.380) 3.297 2.985 ( -0.000 3.558 6.711) 7.596 3.251 ( -0.000 2.553 7.367) 7.797 3.824 ( 0.000 -0.791 3.057) 3.158 3.974 ( -0.000 4.110 1.293) 4.309 4.247 ( -0.000 4.539 -23.847) 24.275 4.543 ( 0.000 -4.961 0.237) 4.966 4.693 ( -0.000 3.423 -14.850) 15.239 4.876 ( -0.000 1.755 -22.488) 22.557 4.966 ( -0.000 3.760 -2.488) 4.508 5.501 ( -0.000 1.175 -4.217) 4.378 5.789 ( -0.000 5.898 4.656) 7.515 5.998 ( 0.000 -6.615 1.631) 6.813 6.033 ( 0.000 0.354 5.708) 5.719 6.533 ( 0.000 -0.609 12.716) 12.730 6.725 ( -0.000 5.398 6.000) 8.071 7.096 ( 0.000 -4.932 -1.542) 5.168 7.237 ( 0.000 -2.544 19.125) 19.293 7.300 ( 0.000 -4.090 16.316) 16.820 7.855 ( -0.000 12.545 1.028) 12.587 8.147 ( 0.000 -1.547 -2.627) 3.049 8.402 ( -0.000 11.060 5.328) 12.276 8.596 ( 0.000 -1.287 1.482) 1.963 8.724 ( -0.000 2.641 -2.078) 3.360 8.762 ( 0.000 0.036 1.011) 1.011 8.917 ( 0.000 -2.822 0.792) 2.931 8.969 ( 0.000 -4.272 1.934) 4.690 9.413 ( 0.000 -13.194 -12.241) 17.998 10.900 ( -0.000 18.533 -0.868) 18.553 12.661 ( -0.000 -0.075 -5.888) 5.888 13.765 ( 0.000 -0.032 11.375) 11.375 14.383 ( -0.000 1.921 -8.066) 8.291 14.652 ( 0.000 -25.877 12.380) 28.686 ======================= Grid point 19 (20/135) ======================= q-point: ( 0.37 -0.25 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -14.406 13.483 12.178) 23.187 1.666 ( -18.000 17.170 5.958) 25.579 2.384 ( -13.419 9.950 5.195) 17.495 2.964 ( 0.669 -2.633 -2.561) 3.733 3.136 ( -1.178 2.307 -4.100) 4.850 3.211 ( -0.365 0.401 -0.523) 0.753 3.714 ( 2.231 -4.078 12.526) 13.360 4.263 ( -0.071 -4.302 11.022) 11.832 4.344 ( 2.257 -1.639 11.337) 11.675 4.421 ( -8.975 -5.557 3.460) 11.108 4.560 ( -21.946 -1.053 -1.857) 22.049 4.588 ( -1.812 -6.456 -0.402) 6.718 4.618 ( -4.836 0.901 -0.018) 4.919 5.438 ( -1.167 4.274 0.499) 4.459 5.676 ( 4.352 4.534 0.318) 6.293 5.968 ( -1.085 -8.064 1.942) 8.365 6.328 ( -5.551 -6.537 -1.008) 8.635 6.827 ( -2.359 2.945 -11.059) 11.685 6.871 ( -2.909 -1.528 -4.225) 5.353 7.125 ( 2.836 -2.257 -1.824) 4.058 7.378 ( -3.188 0.854 6.255) 7.073 7.597 ( -0.285 -13.084 -2.659) 13.354 7.798 ( 6.144 2.536 -14.656) 16.093 7.900 ( 14.943 4.186 -10.744) 18.875 8.281 ( 2.287 -5.103 1.164) 5.712 8.388 ( 4.299 -3.388 3.566) 6.533 8.596 ( 9.722 -0.718 -0.511) 9.762 8.652 ( 2.249 -0.821 -2.628) 3.555 8.789 ( -1.695 -6.108 4.833) 7.971 9.077 ( 2.580 5.462 0.900) 6.107 9.234 ( 6.006 9.824 11.592) 16.338 10.092 ( 10.416 6.698 1.725) 12.503 12.957 ( -14.400 -0.086 0.517) 14.409 14.200 ( -2.907 7.928 -8.836) 12.221 14.378 ( -0.695 5.030 -0.003) 5.078 15.393 ( 6.066 -7.679 -15.704) 18.504 ======================= Grid point 20 (21/135) ======================= q-point: (-0.03 -0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -6.892 -0.000 -4.511) 8.237 2.512 ( 5.440 0.000 2.987) 6.206 2.648 ( -9.445 -0.000 -5.116) 10.742 2.818 ( 6.838 0.000 4.687) 8.290 2.979 ( -6.426 -0.000 -2.293) 6.822 3.107 ( 5.932 0.000 0.383) 5.944 4.105 ( 1.760 -0.000 2.443) 3.011 4.131 ( 3.731 0.000 -0.500) 3.764 5.070 ( -14.994 -0.000 6.967) 16.534 5.212 ( 0.585 -0.000 11.326) 11.341 5.223 ( -0.584 0.000 -12.417) 12.431 5.333 ( 9.835 0.000 -6.070) 11.557 5.489 ( -9.760 -0.000 -3.185) 10.267 5.616 ( 3.912 -0.000 15.671) 16.152 5.890 ( -7.146 0.000 -14.820) 16.453 5.994 ( 2.541 0.000 2.554) 3.603 6.207 ( -16.835 -0.000 -9.391) 19.277 6.426 ( -13.817 -0.000 1.923) 13.951 6.575 ( 4.271 0.000 2.648) 5.025 6.602 ( -15.390 -0.000 6.326) 16.639 6.650 ( 23.677 0.000 -0.515) 23.682 7.037 ( 22.682 0.000 -0.251) 22.683 7.420 ( -7.744 -0.000 -2.721) 8.208 7.519 ( 1.675 -0.000 4.673) 4.964 8.212 ( 0.230 0.000 -0.776) 0.809 8.236 ( 1.772 0.000 1.776) 2.509 8.463 ( 1.792 -0.000 3.152) 3.626 8.487 ( 5.227 0.000 0.332) 5.237 8.839 ( -10.962 -0.000 -1.445) 11.057 9.058 ( 8.790 0.000 -0.417) 8.800 9.548 ( -0.802 0.000 -6.448) 6.497 9.634 ( 8.700 0.000 3.889) 9.530 13.421 ( -1.596 0.000 -8.017) 8.175 13.430 ( -0.623 -0.000 6.283) 6.314 14.520 ( -7.180 0.000 -9.004) 11.516 14.670 ( 7.157 -0.000 9.100) 11.577 ======================= Grid point 21 (22/135) ======================= q-point: (-0.43 0.30 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 15.227 -9.245 -8.442) 19.713 2.014 ( 14.769 -12.953 -4.341) 20.119 2.620 ( 10.063 2.202 0.820) 10.334 2.971 ( 0.964 0.445 2.039) 2.299 3.072 ( -4.042 1.523 1.625) 4.615 3.295 ( 3.538 -4.405 3.341) 6.564 3.653 ( -2.826 -0.786 -15.637) 15.909 4.174 ( -13.070 7.789 -1.225) 15.264 4.279 ( -1.821 5.403 -11.985) 13.272 4.287 ( -3.387 1.400 -12.495) 13.021 4.562 ( -1.744 -1.089 2.528) 3.259 5.113 ( 30.729 3.298 -1.325) 30.934 5.171 ( 26.228 1.520 2.456) 26.387 5.459 ( 1.905 -8.702 0.575) 8.927 5.633 ( 2.963 -9.054 -5.164) 10.836 5.998 ( 1.863 6.957 -1.739) 7.409 6.426 ( 3.829 10.407 1.265) 11.161 6.822 ( -4.364 -1.373 9.567) 10.605 6.940 ( 2.778 -0.588 4.381) 5.221 7.067 ( -2.411 1.307 5.450) 6.101 7.328 ( -13.492 -2.707 -5.146) 14.692 7.499 ( -13.818 1.624 2.140) 14.077 7.600 ( -0.057 8.910 5.115) 10.274 7.719 ( -5.005 -2.705 16.848) 17.783 8.216 ( -3.605 4.588 -4.435) 7.329 8.371 ( 3.386 2.308 -2.134) 4.620 8.451 ( -4.736 1.110 2.097) 5.297 8.599 ( -2.734 0.520 2.965) 4.066 8.782 ( -2.717 3.521 -6.757) 8.089 8.988 ( -6.291 -5.534 -2.552) 8.758 9.156 ( -0.677 -4.161 -5.338) 6.802 9.915 ( -6.694 -6.679 0.597) 9.475 13.257 ( 14.275 0.583 1.229) 14.340 14.221 ( -2.508 -4.008 1.741) 5.038 14.380 ( 1.855 -13.266 7.404) 15.305 15.269 ( -6.162 13.739 9.884) 18.012 ======================= Grid point 22 (23/135) ======================= q-point: ( 0.17 0.08 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 12.222 11.584 17.837) 24.530 1.371 ( 13.204 10.800 17.855) 24.694 2.136 ( 11.762 11.476 25.446) 30.291 2.956 ( -2.215 -2.926 -6.555) 7.513 2.992 ( 2.232 -1.663 -2.507) 3.746 3.240 ( -1.147 -2.623 -6.033) 6.678 3.994 ( 15.131 0.839 -3.259) 15.500 4.094 ( 9.378 -3.992 2.803) 10.571 4.256 ( 3.674 -2.767 18.810) 19.364 4.544 ( 0.181 3.270 0.341) 3.293 4.663 ( -3.157 -2.292 11.862) 12.487 4.858 ( -1.608 -2.509 22.481) 22.677 4.908 ( -4.958 -4.433 5.939) 8.916 5.461 ( -3.331 -1.114 2.797) 4.490 5.699 ( -6.381 3.320 -0.993) 7.262 6.014 ( 2.721 -2.851 -5.642) 6.882 6.179 ( 9.809 0.623 -3.578) 10.460 6.520 ( -1.074 1.223 -12.999) 13.101 6.759 ( 2.926 -5.985 -6.538) 9.334 7.090 ( -1.063 4.181 -4.829) 6.475 7.274 ( 0.328 2.865 -24.159) 24.331 7.314 ( 4.606 2.743 -3.788) 6.564 7.810 ( -4.561 -10.544 -2.070) 11.673 8.061 ( -8.475 0.300 1.334) 8.584 8.379 ( -1.148 -8.147 -4.641) 9.446 8.564 ( -3.773 -0.311 -0.601) 3.833 8.629 ( -5.852 3.665 -1.016) 6.979 8.824 ( 1.155 -5.586 1.042) 5.798 8.876 ( -0.418 -0.014 0.396) 0.577 9.022 ( 2.856 3.775 -1.866) 5.088 9.366 ( -4.390 13.223 11.855) 18.294 10.627 ( -21.992 -11.394 7.104) 25.767 12.749 ( 7.906 1.070 4.539) 9.179 13.773 ( 1.302 1.889 -12.120) 12.335 14.369 ( -2.135 3.892 2.438) 5.065 14.853 ( 15.525 9.732 -13.492) 22.754 ======================= Grid point 23 (24/135) ======================= q-point: (-0.23 -0.14 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -8.876 -7.309 -18.182) 21.513 1.746 ( -9.248 -9.129 -17.353) 21.679 2.558 ( -1.909 0.084 -11.965) 12.117 2.819 ( 1.445 0.872 5.177) 5.445 2.930 ( -3.620 4.754 2.814) 6.604 3.105 ( -1.616 -1.340 5.707) 6.081 3.905 ( -15.164 -2.504 4.921) 16.138 4.094 ( -14.214 3.190 0.941) 14.598 4.517 ( 2.078 -3.338 -0.462) 3.958 4.646 ( 5.618 5.368 -0.914) 7.824 4.946 ( 0.862 0.093 -30.698) 30.711 5.275 ( 2.060 2.812 -22.129) 22.402 5.369 ( 2.023 4.781 -23.852) 24.410 5.492 ( 5.101 1.627 -0.061) 5.355 5.694 ( 2.320 -2.257 -0.624) 3.297 5.868 ( -3.862 -1.927 8.018) 9.106 6.092 ( -8.105 -2.233 4.623) 9.594 6.186 ( 0.811 -1.585 17.409) 17.500 6.435 ( -1.419 -0.276 28.708) 28.744 6.732 ( 0.358 7.641 13.896) 15.862 7.081 ( -0.279 -7.680 4.025) 8.676 7.222 ( -7.539 -3.520 3.909) 9.193 7.797 ( 6.311 8.551 -1.139) 10.688 8.076 ( 11.310 4.608 2.416) 12.450 8.315 ( -1.518 2.819 -0.905) 3.327 8.539 ( 2.810 0.447 1.722) 3.326 8.592 ( 6.169 -5.640 2.716) 8.789 8.819 ( -2.247 -2.487 3.185) 4.624 8.882 ( 2.973 3.202 -1.054) 4.495 9.000 ( -4.232 0.629 -0.974) 4.388 9.613 ( 4.901 -12.114 -11.365) 17.319 10.664 ( 15.352 10.292 2.643) 18.671 12.902 ( -5.603 -0.696 -10.182) 11.642 13.514 ( -0.763 2.355 12.227) 12.475 14.397 ( 3.576 -10.220 0.696) 10.849 14.723 ( -9.445 0.755 -0.549) 9.491 ======================= Grid point 24 (25/135) ======================= q-point: ( 0.37 -0.37 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -17.107 11.073 0.000) 20.378 1.968 ( -15.770 13.895 0.000) 21.018 2.632 ( -12.692 -1.934 0.000) 12.838 2.993 ( -0.985 -0.952 0.000) 1.370 3.089 ( 4.634 -1.350 -0.000) 4.827 3.355 ( -7.176 10.874 0.000) 13.028 3.455 ( 7.717 -5.672 -0.000) 9.577 4.122 ( 0.303 -3.490 -0.000) 3.504 4.155 ( 2.433 -1.352 -0.000) 2.783 4.183 ( 15.937 -9.865 -0.000) 18.743 4.590 ( 1.251 1.768 -0.000) 2.166 5.098 ( -30.704 -5.214 0.000) 31.144 5.202 ( -28.422 -1.971 0.000) 28.490 5.496 ( -5.132 6.335 0.000) 8.153 5.544 ( 3.459 13.147 -0.000) 13.595 5.979 ( -2.176 -7.444 0.000) 7.756 6.439 ( -3.982 -11.195 0.000) 11.882 6.877 ( 3.759 -2.001 -0.000) 4.258 7.081 ( -1.986 3.857 0.000) 4.339 7.160 ( 7.633 2.804 -0.000) 8.132 7.185 ( 2.552 -0.864 -0.000) 2.694 7.524 ( 18.906 -2.803 -0.000) 19.113 7.657 ( -0.954 -9.856 0.000) 9.902 7.948 ( 8.388 3.242 -0.000) 8.993 8.137 ( 3.082 -3.667 -0.000) 4.790 8.340 ( -3.558 -2.099 0.000) 4.131 8.490 ( 5.171 -1.300 -0.000) 5.332 8.663 ( 3.491 -4.387 -0.000) 5.607 8.669 ( 1.992 2.887 -0.000) 3.508 8.928 ( 6.141 4.814 -0.000) 7.803 9.111 ( -1.840 2.456 0.000) 3.069 9.922 ( 5.854 8.227 -0.000) 10.097 13.272 ( -15.344 -1.055 0.000) 15.380 14.227 ( 5.556 4.760 -0.000) 7.316 14.472 ( -4.841 13.735 0.000) 14.563 15.387 ( 8.944 -15.956 -0.000) 18.292 ======================= Grid point 25 (26/135) ======================= q-point: (-0.03 0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 8.674 0.000 5.817) 10.444 2.430 ( 6.232 -0.000 8.530) 10.564 2.668 ( 1.817 0.000 -4.710) 5.048 2.905 ( -4.481 -0.000 -2.219) 5.000 2.960 ( 4.504 0.000 -1.389) 4.713 3.118 ( -3.804 -0.000 -0.665) 3.862 4.103 ( -5.066 -0.000 3.267) 6.028 4.160 ( -3.898 -0.000 -2.676) 4.728 4.839 ( 1.616 -0.000 19.133) 19.201 5.005 ( -8.946 -0.000 20.592) 22.451 5.084 ( 8.958 0.000 6.788) 11.239 5.254 ( 0.341 -0.000 16.221) 16.225 5.337 ( -2.158 -0.000 -1.961) 2.915 5.791 ( 23.315 0.000 -2.600) 23.459 5.950 ( -8.817 0.000 -15.611) 17.928 6.048 ( 25.925 0.000 4.108) 26.248 6.158 ( 1.312 0.000 -5.765) 5.913 6.601 ( 6.163 0.000 -11.624) 13.157 6.614 ( -9.981 -0.000 -5.589) 11.440 6.753 ( -17.332 -0.000 -5.258) 18.112 6.758 ( 10.655 0.000 -8.050) 13.354 7.077 ( -21.771 -0.000 -6.133) 22.618 7.340 ( 5.301 0.000 4.467) 6.932 7.600 ( -3.992 -0.000 -2.641) 4.787 8.207 ( -1.836 -0.000 -0.227) 1.850 8.280 ( -1.903 0.000 -2.493) 3.136 8.501 ( -8.375 -0.000 -0.684) 8.403 8.538 ( -4.599 -0.000 -3.570) 5.822 8.789 ( 13.046 0.000 3.136) 13.418 9.030 ( -7.798 -0.000 2.379) 8.153 9.412 ( 3.108 -0.000 6.206) 6.940 9.690 ( -5.088 -0.000 -1.546) 5.318 13.337 ( 4.139 0.000 0.150) 4.142 13.636 ( 1.982 0.000 -12.645) 12.799 14.345 ( 5.955 -0.000 7.377) 9.481 14.890 ( -6.576 0.000 -11.543) 13.285 ======================= Grid point 26 (27/135) ======================= q-point: (-0.44 0.19 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 10.326 -10.524 -13.926) 20.280 1.841 ( 15.481 -12.852 -10.125) 22.525 2.502 ( 5.048 -2.940 -4.599) 7.435 2.891 ( 0.355 1.484 4.467) 4.721 3.039 ( 2.700 -1.383 4.401) 5.345 3.185 ( -0.153 0.850 1.867) 2.057 4.061 ( 0.778 2.172 -17.224) 17.377 4.432 ( -1.031 3.902 -6.940) 8.028 4.476 ( 21.705 -3.092 2.462) 22.061 4.541 ( 2.801 2.863 -0.753) 4.075 4.613 ( 10.357 1.220 -1.515) 10.538 4.700 ( -0.758 5.424 -19.729) 20.475 4.756 ( 1.322 4.266 -19.266) 19.777 5.456 ( -0.348 -5.189 -1.197) 5.337 5.690 ( -0.179 -1.894 -0.930) 2.118 6.004 ( 1.785 3.207 -1.033) 3.813 6.297 ( 5.100 4.509 1.955) 7.082 6.550 ( -0.206 -3.184 14.729) 15.071 6.721 ( 3.521 3.790 9.640) 10.940 7.096 ( -4.312 -1.606 5.628) 7.270 7.295 ( -2.671 -2.261 20.536) 20.832 7.439 ( 4.617 5.758 4.180) 8.482 7.561 ( -1.577 3.922 0.986) 4.341 7.785 ( -16.578 0.517 3.169) 16.886 8.288 ( 0.747 3.273 -0.338) 3.375 8.435 ( -4.849 2.076 -1.000) 5.369 8.599 ( -8.173 -5.122 0.581) 9.663 8.628 ( -4.790 6.368 -1.103) 8.044 8.874 ( 3.902 6.580 -3.059) 8.238 9.080 ( -3.253 -4.227 1.108) 5.447 9.485 ( -8.460 -12.286 -11.382) 18.764 10.135 ( -13.768 1.428 -1.781) 13.956 12.985 ( 12.118 -0.835 -2.474) 12.396 13.920 ( 4.119 -6.612 16.262) 18.032 14.404 ( -1.663 -4.233 -2.330) 5.110 15.056 ( -0.276 2.909 14.262) 14.558 ======================= Grid point 27 (28/135) ======================= q-point: ( 0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -0.000 19.501 17.115) 25.946 0.813 ( -0.000 19.973 19.896) 28.191 1.310 ( -0.000 30.979 31.134) 43.921 2.998 ( 0.000 -0.970 -1.039) 1.422 3.101 ( 0.000 -3.505 -3.982) 5.304 3.375 ( 0.000 -4.100 -4.089) 5.791 3.860 ( 0.000 -1.234 3.297) 3.521 3.884 ( 0.000 -3.463 6.797) 7.628 3.997 ( 0.000 -4.626 -0.765) 4.689 4.365 ( 0.000 -3.187 12.412) 12.815 4.477 ( 0.000 -1.558 13.950) 14.037 4.548 ( -0.000 6.314 -0.211) 6.318 5.051 ( 0.000 -4.360 -7.961) 9.076 5.411 ( 0.000 0.012 3.983) 3.983 5.867 ( 0.000 -3.617 -2.654) 4.486 6.033 ( -0.000 6.569 -1.638) 6.770 6.119 ( 0.000 -7.882 -2.518) 8.274 6.718 ( -0.000 0.703 -5.299) 5.346 6.829 ( -0.000 0.805 -3.702) 3.788 7.061 ( -0.000 4.776 1.458) 4.994 7.352 ( 0.000 -4.066 -1.672) 4.397 7.797 ( -0.000 6.346 -19.359) 20.373 7.889 ( 0.000 -13.868 -1.777) 13.982 8.142 ( -0.000 2.626 -1.552) 3.050 8.466 ( 0.000 -12.047 -0.839) 12.076 8.611 ( 0.000 0.041 0.697) 0.699 8.721 ( 0.000 -1.408 -2.071) 2.504 8.745 ( 0.000 -5.339 2.533) 5.910 8.928 ( -0.000 4.417 -0.327) 4.429 8.986 ( -0.000 4.928 1.711) 5.216 9.154 ( -0.000 11.031 11.835) 16.179 10.731 ( 0.000 -24.692 17.006) 29.982 12.578 ( 0.000 -0.520 2.233) 2.292 13.980 ( -0.000 5.190 -8.244) 9.742 14.249 ( 0.000 -1.084 4.441) 4.571 15.129 ( -0.000 42.060 -38.994) 57.355 ======================= Grid point 28 (29/135) ======================= q-point: (-0.24 -0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -5.788 -4.726 -7.909) 10.880 2.246 ( -9.510 -2.465 -10.565) 14.427 2.621 ( -1.439 6.203 -1.362) 6.511 2.709 ( -1.515 4.908 4.685) 6.952 2.936 ( 0.157 -1.607 2.505) 2.980 3.172 ( -2.500 2.116 -2.986) 4.432 4.172 ( -17.593 -5.249 4.759) 18.966 4.396 ( 4.386 1.612 0.600) 4.711 4.452 ( -7.275 -3.067 3.472) 8.625 4.555 ( -12.985 -1.102 0.347) 13.036 5.280 ( 2.920 2.625 6.178) 7.320 5.478 ( 3.559 1.988 0.933) 4.182 5.565 ( 3.208 -3.462 2.547) 5.363 5.589 ( 0.920 -0.655 4.881) 5.010 5.774 ( -0.116 -0.903 3.582) 3.696 5.857 ( -1.861 1.738 -17.408) 17.593 5.956 ( -4.364 -0.285 -9.951) 10.869 6.013 ( -5.593 0.005 4.244) 7.021 6.202 ( -6.294 -0.196 -2.266) 6.693 6.512 ( -2.167 3.988 8.002) 9.199 7.092 ( -5.179 -3.351 0.712) 6.210 7.268 ( -5.668 -1.170 6.383) 8.616 7.610 ( 16.467 1.902 -2.631) 16.784 7.761 ( 10.600 6.267 2.413) 12.548 8.354 ( 3.571 0.239 0.422) 3.604 8.406 ( 3.841 -4.096 2.956) 6.346 8.474 ( 1.758 0.563 -0.752) 1.993 8.699 ( 2.148 -8.312 4.270) 9.588 8.817 ( 4.465 4.073 1.431) 6.211 9.123 ( -2.057 2.524 -2.626) 4.183 9.716 ( 6.871 -6.404 -10.456) 14.055 10.242 ( 17.507 6.615 4.955) 19.360 13.264 ( -4.575 0.741 -7.306) 8.652 13.341 ( -4.400 1.008 2.029) 4.949 14.371 ( -1.628 -7.125 -1.281) 7.420 14.821 ( 1.536 4.392 -0.464) 4.676 ======================= Grid point 29 (30/135) ======================= q-point: ( 0.36 -0.48 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -10.232 3.710 -6.386) 12.619 2.228 ( -6.142 5.324 -1.975) 8.365 2.806 ( -6.616 -1.728 3.159) 7.532 2.987 ( -0.438 0.634 2.117) 2.253 3.008 ( 1.983 -0.119 1.311) 2.380 3.302 ( 1.658 0.055 1.563) 2.280 3.618 ( 1.536 8.325 -14.466) 16.761 3.927 ( 7.325 -13.737 -2.969) 15.849 4.222 ( 2.872 2.907 -11.552) 12.253 4.276 ( -0.258 -4.174 -13.116) 13.767 4.537 ( 0.659 0.245 3.354) 3.427 5.362 ( -0.015 3.988 0.800) 4.067 5.455 ( -1.708 2.973 -0.566) 3.475 5.792 ( -19.282 0.358 -0.231) 19.287 5.937 ( -21.411 4.767 -5.077) 22.515 6.115 ( -15.675 0.167 -0.079) 15.676 6.474 ( 0.818 -12.258 1.988) 12.445 6.586 ( 17.741 -1.542 4.513) 18.371 6.772 ( 23.451 2.454 -0.106) 23.580 7.032 ( -0.343 -0.244 3.257) 3.284 7.059 ( 1.672 0.658 6.415) 6.662 7.379 ( 2.243 -1.407 2.415) 3.584 7.602 ( 0.057 -3.504 6.473) 7.361 7.628 ( 3.494 1.627 12.541) 13.120 8.154 ( 2.292 -1.994 -4.541) 5.464 8.385 ( 1.831 -0.587 2.097) 2.846 8.480 ( -2.755 -1.021 -0.049) 2.939 8.580 ( -3.864 -1.442 -1.210) 4.298 8.676 ( 6.716 3.067 -4.147) 8.468 8.880 ( 3.042 1.078 -3.705) 4.914 9.172 ( -1.315 -0.046 -2.482) 2.809 9.832 ( 1.148 3.237 1.735) 3.848 13.491 ( -6.668 -0.577 3.268) 7.448 14.143 ( 2.320 2.109 -2.668) 4.117 14.462 ( -5.308 10.972 11.454) 16.726 15.138 ( 6.691 -11.121 6.487) 14.509 ======================= Grid point 30 (31/135) ======================= q-point: (-0.04 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 16.613 0.000 9.211) 18.995 1.948 ( 14.852 0.000 14.421) 20.701 2.677 ( 8.661 0.000 -0.059) 8.662 2.887 ( 0.132 0.000 -3.372) 3.374 3.121 ( 3.219 0.000 0.948) 3.355 3.126 ( -5.744 -0.000 -2.854) 6.414 4.019 ( -4.754 -0.000 15.652) 16.358 4.360 ( -9.298 -0.000 -0.214) 9.300 4.532 ( 1.251 -0.000 3.933) 4.127 4.727 ( -6.364 -0.000 16.406) 17.597 4.733 ( 1.464 -0.000 15.319) 15.389 4.922 ( 13.759 0.000 3.926) 14.308 5.279 ( 26.365 0.000 1.694) 26.419 5.389 ( -2.320 -0.000 1.523) 2.775 5.432 ( 15.639 0.000 4.631) 16.311 6.173 ( 1.352 0.000 -2.090) 2.489 6.434 ( -3.743 0.000 -15.127) 15.583 6.635 ( 10.041 0.000 -5.731) 11.561 6.926 ( -4.716 0.000 -9.922) 10.986 6.954 ( 1.309 0.000 -10.436) 10.518 7.230 ( 1.009 0.000 -8.294) 8.355 7.265 ( -21.276 -0.000 -1.909) 21.361 7.512 ( -6.667 -0.000 -2.912) 7.275 7.728 ( -4.807 -0.000 -4.327) 6.467 8.313 ( -5.727 -0.000 -1.673) 5.967 8.392 ( -3.043 0.000 -3.715) 4.803 8.489 ( 6.518 0.000 3.525) 7.410 8.722 ( -5.269 -0.000 -2.125) 5.681 8.729 ( -12.317 -0.000 2.131) 12.500 9.056 ( -1.722 -0.000 3.552) 3.947 9.224 ( 3.565 -0.000 5.075) 6.202 9.816 ( -12.202 -0.000 7.009) 14.071 13.193 ( 12.394 0.000 -1.511) 12.486 13.858 ( 3.464 0.000 -12.877) 13.335 14.179 ( -1.615 -0.000 3.452) 3.811 15.250 ( -0.807 0.000 -15.219) 15.241 ======================= Grid point 31 (32/135) ======================= q-point: (-0.44 0.07 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 7.630 -11.303 -15.035) 20.298 1.961 ( 4.326 -13.500 -15.298) 20.857 2.517 ( 0.277 4.454 1.958) 4.874 2.742 ( 0.635 7.041 9.368) 11.736 2.920 ( 3.667 -4.082 -3.488) 6.502 3.133 ( 0.496 -1.372 3.658) 3.938 3.960 ( 15.326 -2.379 2.219) 15.668 4.007 ( 14.917 5.453 0.323) 15.886 4.560 ( -2.377 2.719 -2.942) 4.659 4.580 ( -2.114 -2.438 0.601) 3.282 4.904 ( -1.602 4.437 -30.394) 30.758 5.183 ( -0.786 6.497 -22.521) 23.452 5.286 ( -4.530 3.168 -20.383) 21.119 5.514 ( -1.812 -3.287 -1.712) 4.125 5.670 ( 3.727 2.947 -1.543) 4.996 5.936 ( 1.034 -3.312 5.599) 6.587 6.160 ( 2.946 -5.004 3.270) 6.665 6.221 ( 0.348 -1.908 15.287) 15.410 6.418 ( 1.593 2.679 18.918) 19.174 6.620 ( 0.099 3.268 25.798) 26.005 7.202 ( -0.568 -3.919 1.700) 4.310 7.274 ( 3.266 -0.159 3.870) 5.066 7.638 ( -3.413 5.983 -4.447) 8.199 7.955 ( -7.953 6.523 6.076) 11.946 8.314 ( -0.586 -1.847 -4.422) 4.828 8.529 ( -4.063 0.672 2.392) 4.763 8.686 ( -2.995 -1.557 -0.950) 3.507 8.752 ( -1.958 2.425 0.252) 3.127 8.889 ( -0.725 2.508 -2.761) 3.799 9.018 ( 1.900 -4.120 5.122) 6.842 9.876 ( -6.301 -15.287 -10.308) 19.485 10.434 ( -11.524 13.437 2.248) 17.844 12.919 ( 6.098 -1.228 -9.684) 11.510 13.504 ( 2.313 -1.516 15.935) 16.173 14.505 ( -0.340 1.069 -6.570) 6.665 14.775 ( 1.612 -7.612 10.139) 12.781 ======================= Grid point 32 (33/135) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -18.280 16.821 0.000) 24.842 0.823 ( -21.160 20.457 0.000) 29.432 1.356 ( -33.933 29.938 0.000) 45.252 3.048 ( -2.781 0.249 0.000) 2.792 3.118 ( 2.276 -3.619 -0.000) 4.275 3.373 ( 4.275 -4.277 -0.000) 6.047 3.738 ( 1.889 -4.295 -0.000) 4.692 4.062 ( -16.429 -0.246 0.000) 16.431 4.163 ( -13.175 -6.242 0.000) 14.579 4.221 ( 0.259 -2.148 -0.000) 2.164 4.310 ( 0.578 -1.932 -0.000) 2.017 4.550 ( 0.110 6.046 -0.000) 6.047 5.002 ( 13.383 -6.707 -0.000) 14.970 5.349 ( -0.746 1.637 0.000) 1.799 5.793 ( 11.839 3.193 -0.000) 12.262 6.142 ( 0.248 -10.993 -0.000) 10.996 6.242 ( -12.552 -3.192 0.000) 12.952 6.824 ( -4.017 2.071 0.000) 4.520 6.868 ( -0.517 3.303 0.000) 3.343 7.091 ( -4.020 4.431 0.000) 5.983 7.361 ( 1.452 -8.292 -0.000) 8.418 7.892 ( 2.215 -10.727 -0.000) 10.954 8.033 ( 2.704 -1.118 -0.000) 2.926 8.205 ( 1.422 3.356 -0.000) 3.645 8.417 ( 4.011 -9.188 -0.000) 10.025 8.489 ( 3.100 -5.439 -0.000) 6.260 8.683 ( 0.644 2.491 -0.000) 2.573 8.786 ( 1.094 -3.435 -0.000) 3.605 8.849 ( 3.581 -4.190 -0.000) 5.512 8.938 ( 1.581 11.785 -0.000) 11.890 8.966 ( -0.870 5.979 0.000) 6.042 10.050 ( 15.593 18.345 -0.000) 24.077 12.681 ( -9.964 0.766 0.000) 9.993 14.096 ( -2.177 6.207 0.000) 6.578 14.310 ( -2.727 -1.348 0.000) 3.042 15.953 ( 6.879 -6.552 -0.000) 9.500 ======================= Grid point 33 (34/135) ======================= q-point: ( 0.75 -0.38 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -6.600 0.013 1.062) 6.685 2.484 ( -1.362 0.505 1.645) 2.194 2.640 ( -4.201 4.195 -0.776) 5.988 2.789 ( -0.753 0.376 -1.644) 1.847 2.976 ( -2.090 -1.473 -5.374) 5.952 3.172 ( 3.900 5.522 -0.677) 6.794 4.141 ( 8.808 -1.997 4.513) 10.096 4.268 ( 3.432 -4.094 -0.919) 5.421 4.509 ( -14.931 -5.875 14.981) 21.952 4.910 ( 3.906 1.329 17.899) 18.369 5.074 ( -26.144 1.000 -1.131) 26.187 5.135 ( -0.598 0.458 22.366) 22.379 5.319 ( -3.768 -0.302 8.056) 8.899 5.565 ( -1.755 -4.635 2.283) 5.456 5.738 ( -15.533 -2.656 5.891) 16.824 6.063 ( -4.433 3.155 2.293) 5.904 6.276 ( 2.209 1.394 -16.755) 16.957 6.453 ( -2.306 3.131 -11.370) 12.016 6.511 ( -3.102 3.182 -4.947) 6.649 6.621 ( -2.462 -0.223 -28.059) 28.168 7.092 ( 10.036 -0.426 3.440) 10.618 7.227 ( -5.824 -0.646 1.320) 6.007 7.356 ( 12.053 -1.509 -1.982) 12.307 7.520 ( 10.632 3.104 0.114) 11.077 8.237 ( 2.485 -2.068 1.602) 3.608 8.296 ( 1.896 -3.547 1.621) 4.336 8.421 ( 0.508 -0.860 2.682) 2.862 8.572 ( 5.937 0.114 1.831) 6.214 8.760 ( -2.869 -3.427 -0.204) 4.474 9.155 ( 2.868 2.949 -0.754) 4.182 9.758 ( 14.676 4.027 6.426) 16.520 9.787 ( 7.535 -0.750 -7.300) 10.518 13.281 ( -5.876 1.453 2.912) 6.717 13.710 ( -1.392 -2.279 -17.299) 17.504 14.532 ( -6.674 -0.120 -4.270) 7.924 14.701 ( 9.164 1.668 -0.798) 9.348 ======================= Grid point 34 (35/135) ======================= q-point: (-0.65 0.40 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 4.476 -2.307 -6.173) 7.966 2.374 ( -2.776 -2.148 -4.827) 5.968 2.735 ( 6.166 -0.296 2.201) 6.553 2.916 ( 1.455 0.635 4.343) 4.624 2.967 ( -1.681 -0.077 0.986) 1.950 3.227 ( 0.230 0.915 5.116) 5.202 3.876 ( -6.768 3.853 -7.209) 10.613 4.152 ( -0.042 -5.015 -19.605) 20.237 4.418 ( -0.486 0.785 0.957) 1.330 4.524 ( 1.367 2.965 -15.634) 15.971 4.654 ( -0.102 -1.701 -21.054) 21.123 5.349 ( 2.539 3.417 -0.520) 4.289 5.444 ( 5.422 4.005 -1.053) 6.823 5.900 ( 11.509 -4.173 -1.806) 12.375 6.038 ( 17.721 5.170 2.729) 18.661 6.110 ( 16.138 -1.547 -3.680) 16.625 6.375 ( -2.475 -3.026 2.439) 4.608 6.446 ( -10.051 -3.799 6.997) 12.822 6.768 ( -20.498 -0.690 2.873) 20.710 6.807 ( 1.279 0.619 13.246) 13.322 6.989 ( -6.425 -0.569 3.025) 7.124 7.257 ( 1.037 0.352 17.000) 17.036 7.337 ( -5.297 0.233 3.083) 6.133 7.464 ( 3.090 1.577 2.907) 4.526 8.221 ( 0.459 1.714 -4.472) 4.812 8.322 ( -0.092 1.044 2.087) 2.335 8.432 ( 0.103 1.605 1.155) 1.980 8.561 ( 6.032 2.892 -0.085) 6.690 8.813 ( -3.525 -1.371 -3.877) 5.416 8.967 ( -5.042 -1.311 -2.200) 5.655 9.302 ( -4.327 -3.138 -6.457) 8.383 9.799 ( -4.145 -0.447 4.435) 6.087 13.405 ( 5.240 0.587 2.982) 6.057 14.138 ( 1.790 3.603 12.475) 13.108 14.335 ( -9.046 -5.747 2.565) 11.020 14.884 ( 3.549 1.083 7.266) 8.159 ======================= Grid point 35 (36/135) ======================= q-point: (-0.05 0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 23.537 0.000 9.458) 25.366 1.247 ( 18.988 0.000 18.299) 26.370 2.099 ( 34.925 0.000 10.391) 36.438 3.034 ( -3.942 0.000 -4.437) 5.935 3.071 ( 1.613 0.000 -1.007) 1.902 3.285 ( -5.903 -0.000 -1.330) 6.051 3.813 ( -4.399 -0.000 10.107) 11.023 4.324 ( -3.650 -0.000 11.315) 11.889 4.416 ( 1.776 -0.000 11.693) 11.827 4.482 ( 11.128 0.000 -2.500) 11.405 4.519 ( 11.916 0.000 -0.505) 11.927 4.644 ( 24.869 0.000 3.186) 25.072 4.805 ( -10.707 -0.000 -2.431) 10.980 5.372 ( -0.957 -0.000 2.940) 3.092 5.421 ( -11.561 -0.000 -0.332) 11.566 6.205 ( -0.374 0.000 -2.205) 2.237 6.502 ( 11.762 0.000 -3.293) 12.215 6.741 ( 1.475 0.000 -10.863) 10.963 6.911 ( 2.994 0.000 2.559) 3.938 7.149 ( 0.553 0.000 -2.663) 2.719 7.394 ( -0.231 -0.000 3.135) 3.143 7.689 ( -4.667 0.000 -21.620) 22.118 7.768 ( -12.034 -0.000 -4.842) 12.972 7.954 ( -6.149 -0.000 -2.663) 6.701 8.434 ( -4.452 -0.000 0.703) 4.508 8.474 ( -7.354 -0.000 0.218) 7.357 8.558 ( -4.048 0.000 -4.641) 6.158 8.786 ( -0.760 -0.000 1.875) 2.023 8.838 ( -8.661 -0.000 8.388) 12.057 8.990 ( 0.786 -0.000 3.220) 3.315 9.080 ( 4.194 0.000 0.173) 4.198 9.847 ( -15.376 -0.000 18.055) 23.715 12.917 ( 14.676 0.000 -0.023) 14.676 14.012 ( 3.526 0.000 -7.920) 8.670 14.228 ( -5.206 -0.000 0.201) 5.210 15.598 ( 5.868 0.000 -24.253) 24.952 ======================= Grid point 36 (37/135) ======================= q-point: (-0.45 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.000 -9.416 -14.920) 17.642 2.194 ( 0.000 -7.903 -4.252) 8.974 2.399 ( -0.000 7.604 0.625) 7.630 2.492 ( -0.000 11.711 12.760) 17.319 3.033 ( 0.000 -1.741 4.147) 4.498 3.036 ( 0.000 -1.468 -7.830) 7.966 3.736 ( 0.000 -6.532 2.473) 6.984 3.846 ( -0.000 4.922 0.058) 4.922 4.578 ( 0.000 -1.990 0.811) 2.149 4.623 ( -0.000 3.112 -0.406) 3.139 5.394 ( 0.000 -3.499 16.079) 16.455 5.504 ( -0.000 6.966 -7.217) 10.031 5.675 ( 0.000 -1.598 22.664) 22.720 5.710 ( -0.000 1.876 -25.433) 25.502 5.734 ( 0.000 -0.094 26.194) 26.194 5.745 ( -0.000 1.802 -30.733) 30.786 5.838 ( 0.000 -1.740 17.948) 18.032 5.863 ( -0.000 1.181 -17.626) 17.666 6.168 ( 0.000 -9.717 -5.497) 11.164 6.341 ( -0.000 8.515 6.691) 10.829 7.150 ( 0.000 -7.745 3.021) 8.313 7.200 ( 0.000 -2.931 -0.526) 2.977 7.816 ( -0.000 3.221 -7.212) 7.899 7.860 ( -0.000 7.480 8.998) 11.701 8.467 ( 0.000 -1.162 -6.640) 6.741 8.488 ( -0.000 1.049 4.816) 4.929 8.694 ( 0.000 -6.386 4.806) 7.993 8.765 ( 0.000 -0.164 0.287) 0.331 8.939 ( -0.000 1.124 -0.479) 1.221 8.941 ( -0.000 2.438 -3.566) 4.320 10.144 ( 0.000 -15.472 -8.197) 17.509 10.435 ( -0.000 15.063 8.059) 17.084 13.140 ( -0.000 0.169 -16.093) 16.094 13.159 ( -0.000 2.565 13.991) 14.224 14.547 ( 0.000 -10.780 8.746) 13.882 14.717 ( -0.000 7.436 -10.957) 13.242 ======================= Grid point 37 (38/135) ======================= q-point: ( 0.15 -0.27 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -18.100 7.906 -14.661) 24.598 1.384 ( -20.954 12.563 -9.704) 26.288 2.190 ( -28.695 9.166 -9.072) 31.460 3.010 ( 2.954 -2.100 3.603) 5.111 3.090 ( -2.591 1.830 1.958) 3.727 3.250 ( 5.042 -3.127 1.140) 6.041 3.785 ( 4.275 -2.953 -10.597) 11.802 4.313 ( 2.291 -1.338 -11.358) 11.664 4.390 ( 0.313 -2.680 -11.623) 11.932 4.482 ( -19.913 -1.203 2.079) 20.058 4.538 ( -1.378 2.576 -0.281) 2.935 4.617 ( -22.535 -2.278 -2.221) 22.759 4.736 ( 6.023 -6.663 1.443) 9.097 5.370 ( 1.607 2.119 -0.472) 2.701 5.540 ( 8.728 8.824 -1.268) 12.476 6.126 ( -0.515 -7.651 0.970) 7.729 6.450 ( -9.827 -5.451 2.151) 11.442 6.769 ( -2.076 2.786 11.317) 11.838 6.899 ( -2.514 -1.193 0.079) 2.784 7.151 ( 1.027 -0.395 3.734) 3.893 7.375 ( -1.488 -0.916 -5.386) 5.662 7.720 ( 4.191 1.376 14.583) 15.236 7.782 ( 9.060 0.606 11.450) 14.613 7.884 ( 8.882 -5.079 2.710) 10.585 8.394 ( 3.443 -5.391 -0.360) 6.407 8.442 ( 5.758 -2.974 -2.988) 7.137 8.558 ( 5.256 2.390 3.891) 6.962 8.712 ( 4.411 -4.421 -0.763) 6.291 8.952 ( -0.146 -8.316 -7.546) 11.231 8.958 ( 2.086 5.587 -1.386) 6.123 9.065 ( 1.262 7.384 -6.680) 10.037 9.948 ( 13.239 8.372 -9.985) 18.575 12.941 ( -14.382 1.740 -0.039) 14.487 14.066 ( -3.817 5.678 8.528) 10.933 14.281 ( 4.731 4.977 -0.469) 6.882 15.532 ( -2.434 -6.492 21.333) 22.431 ======================= Grid point 38 (39/135) ======================= q-point: (-0.25 0.50 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 1.174 1.779 3.881) 4.428 2.384 ( 5.154 -0.619 4.471) 6.851 2.753 ( -4.562 1.347 -2.717) 5.478 2.890 ( -2.722 -1.908 -3.491) 4.821 2.996 ( 2.539 3.416 0.360) 4.272 3.188 ( 1.641 -3.862 -3.789) 5.654 3.839 ( 2.180 1.366 12.005) 12.277 4.203 ( 1.576 -3.063 3.784) 5.117 4.378 ( -7.929 0.171 16.743) 18.527 4.545 ( 1.143 3.352 6.626) 7.513 4.683 ( -1.020 1.142 20.731) 20.788 5.267 ( 2.165 -4.069 2.609) 5.296 5.351 ( -3.427 -5.211 2.176) 6.606 5.847 ( -23.493 -5.714 -4.582) 24.608 6.062 ( -7.958 4.660 3.418) 9.835 6.153 ( -20.974 2.875 2.050) 21.269 6.409 ( 15.260 -0.227 -8.037) 17.248 6.499 ( 9.216 0.756 0.562) 9.264 6.787 ( 0.681 0.030 -11.473) 11.494 6.860 ( 9.645 6.572 -9.030) 14.756 6.999 ( 6.999 1.018 0.268) 7.077 7.246 ( -0.285 -0.732 -22.143) 22.157 7.334 ( 4.772 -0.129 1.327) 4.955 7.447 ( -8.142 -0.850 -0.800) 8.226 8.187 ( -1.741 -1.999 2.858) 3.898 8.305 ( -1.271 -0.812 -2.591) 2.998 8.395 ( -2.078 -1.643 0.767) 2.758 8.516 ( -3.081 -1.980 -0.177) 3.667 8.825 ( -3.440 0.173 2.328) 4.157 8.998 ( 11.453 1.619 2.479) 11.830 9.358 ( 6.078 2.533 6.704) 9.397 9.798 ( 5.832 -0.334 -4.694) 7.494 13.397 ( -4.718 -0.183 -2.499) 5.342 14.046 ( 1.892 -5.161 -14.048) 15.085 14.404 ( 13.138 2.060 0.750) 13.320 14.914 ( -10.047 2.937 -9.445) 14.099 ======================= Grid point 39 (40/135) ======================= q-point: (-0.65 0.28 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 6.926 -1.248 -6.232) 9.400 2.423 ( 5.156 -6.193 -3.916) 8.960 2.591 ( 6.670 -0.485 -0.673) 6.721 2.771 ( 1.972 -0.645 6.465) 6.790 3.023 ( -3.612 1.044 1.143) 3.930 3.081 ( 0.822 -1.455 4.103) 4.430 4.179 ( -9.758 1.056 -3.194) 10.322 4.342 ( -4.812 3.741 2.981) 6.785 4.596 ( 8.933 2.617 -17.650) 19.954 4.918 ( -0.783 2.431 -16.535) 16.731 5.071 ( 23.354 0.848 -0.358) 23.372 5.125 ( -0.061 -0.373 -21.546) 21.550 5.326 ( 11.784 0.623 -11.143) 16.230 5.633 ( 8.399 -0.743 -0.911) 8.481 5.753 ( 6.217 0.507 -1.239) 6.360 6.053 ( 3.810 2.329 -2.422) 5.080 6.238 ( -2.086 -2.752 16.436) 16.795 6.345 ( 2.094 -6.216 2.139) 6.899 6.482 ( 1.506 -0.105 12.952) 13.040 6.623 ( 3.163 0.087 25.881) 26.074 7.112 ( -8.747 1.763 -2.216) 9.194 7.273 ( 3.258 3.542 1.944) 5.190 7.352 ( -17.265 -1.101 1.183) 17.340 7.482 ( -5.842 -0.639 1.868) 6.167 8.296 ( -0.578 3.666 -2.270) 4.350 8.340 ( -2.876 1.347 -1.422) 3.480 8.463 ( -1.110 3.416 -1.093) 3.755 8.541 ( -6.072 -3.029 0.167) 6.787 8.863 ( 2.265 7.261 -2.293) 7.944 9.076 ( -3.008 -5.653 1.090) 6.496 9.650 ( -12.812 -7.222 -7.675) 16.589 9.814 ( -8.601 2.062 6.175) 10.787 13.264 ( 7.235 -0.283 -3.253) 7.938 13.722 ( 4.030 -1.508 17.384) 17.909 14.505 ( -1.982 -3.947 -3.346) 5.541 14.708 ( -2.943 3.591 7.264) 8.621 ======================= Grid point 40 (41/135) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 24.659 0.000 -0.000) 24.659 0.574 ( 27.845 0.000 -0.000) 27.845 1.051 ( 49.672 0.000 -0.000) 49.672 3.047 ( 1.855 0.000 -0.000) 1.855 3.153 ( -2.371 -0.000 0.000) 2.371 3.420 ( -4.617 -0.000 0.000) 4.617 3.776 ( -2.271 -0.000 0.000) 2.271 4.064 ( 16.893 0.000 -0.000) 16.893 4.240 ( 10.384 0.000 -0.000) 10.384 4.241 ( -1.342 -0.000 0.000) 1.342 4.333 ( 0.031 0.000 -0.000) 0.031 4.486 ( 0.691 0.000 -0.000) 0.691 5.042 ( -7.498 -0.000 0.000) 7.498 5.333 ( 0.310 0.000 -0.000) 0.310 5.738 ( -14.994 -0.000 0.000) 14.994 6.259 ( -1.186 -0.000 0.000) 1.186 6.305 ( 11.807 0.000 -0.000) 11.807 6.799 ( 3.497 0.000 -0.000) 3.497 6.825 ( 1.555 0.000 -0.000) 1.555 7.048 ( 4.240 0.000 -0.000) 4.240 7.442 ( -2.188 -0.000 0.000) 2.188 8.005 ( -5.336 -0.000 0.000) 5.336 8.082 ( -4.409 -0.000 0.000) 4.409 8.167 ( -6.038 -0.000 0.000) 6.038 8.534 ( -5.948 -0.000 0.000) 5.948 8.545 ( -5.102 -0.000 0.000) 5.102 8.697 ( -1.699 -0.000 0.000) 1.699 8.755 ( 3.185 0.000 -0.000) 3.185 8.843 ( -5.664 -0.000 0.000) 5.664 8.881 ( 1.774 0.000 -0.000) 1.774 9.012 ( 3.487 0.000 -0.000) 3.487 9.686 ( -3.073 -0.000 0.000) 3.073 12.660 ( 9.109 0.000 -0.000) 9.109 14.038 ( 2.183 0.000 -0.000) 2.183 14.324 ( -3.473 -0.000 0.000) 3.473 16.039 ( -3.641 -0.000 0.000) 3.641 ======================= Grid point 41 (42/135) ======================= q-point: ( 0.54 -0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -3.905 7.931 11.365) 14.399 2.226 ( -2.770 14.816 12.893) 19.835 2.418 ( -1.761 -5.557 -7.861) 9.786 2.641 ( -2.776 -2.360 -11.924) 12.468 2.990 ( -2.514 1.312 1.105) 3.043 3.162 ( 1.436 2.528 -3.866) 4.837 3.851 ( -14.490 -9.405 2.153) 17.408 4.022 ( -16.406 2.056 -0.700) 16.549 4.536 ( 2.748 -1.191 0.472) 3.032 4.605 ( 2.969 0.269 -1.204) 3.215 4.814 ( -3.528 -2.956 34.069) 34.379 5.089 ( 1.313 -3.076 23.164) 23.404 5.250 ( 5.758 -0.951 20.387) 21.206 5.578 ( 0.813 1.462 4.188) 4.510 5.632 ( -3.652 0.686 1.347) 3.952 5.947 ( -1.191 -2.374 -1.062) 2.860 6.243 ( -0.584 2.249 -16.356) 16.521 6.258 ( -1.522 3.112 0.901) 3.580 6.371 ( -2.763 -0.955 -13.763) 14.070 6.608 ( 0.532 1.020 -36.247) 36.265 7.141 ( -2.162 -9.606 -0.322) 9.851 7.220 ( 0.618 -5.266 -0.259) 5.308 7.649 ( 1.855 5.892 6.729) 9.135 7.900 ( 6.548 1.030 -6.481) 9.270 8.353 ( 1.962 1.918 4.421) 5.203 8.510 ( 4.998 -1.719 -1.532) 5.503 8.610 ( 2.043 -5.160 1.236) 5.685 8.747 ( -3.079 -4.884 2.949) 6.483 8.854 ( 7.708 2.251 -0.539) 8.048 9.102 ( -1.817 4.087 -4.885) 6.623 10.140 ( 8.040 11.561 10.065) 17.309 10.211 ( 7.370 -9.032 -4.614) 12.537 12.953 ( -5.695 2.638 9.786) 11.626 13.557 ( -2.684 3.596 -19.799) 20.301 14.415 ( -2.937 -6.867 5.501) 9.276 14.927 ( 3.881 7.260 -11.427) 14.083 ======================= Grid point 42 (43/135) ======================= q-point: ( 0.14 -0.39 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -15.060 5.029 -9.943) 18.734 1.999 ( -14.520 5.585 -12.094) 19.705 2.651 ( -7.639 -2.304 0.280) 7.984 2.900 ( -0.540 0.892 3.503) 3.655 3.062 ( 2.694 -3.043 2.779) 4.924 3.185 ( -1.264 3.124 0.636) 3.429 4.010 ( 5.309 -0.422 -16.200) 17.053 4.335 ( 8.596 -2.819 -1.072) 9.110 4.515 ( 0.746 -2.139 -1.843) 2.920 4.654 ( 3.768 -2.866 -17.772) 18.392 4.735 ( 1.488 -2.678 -19.710) 19.947 5.007 ( -20.231 6.574 0.782) 21.287 5.248 ( -24.081 -3.012 -2.112) 24.360 5.371 ( -6.214 2.236 -2.375) 7.019 5.562 ( -6.167 9.502 -4.269) 12.106 6.135 ( -1.638 -3.964 0.524) 4.321 6.456 ( 3.370 2.072 14.733) 15.255 6.562 ( -7.629 -7.155 5.688) 11.906 6.854 ( 0.168 -4.738 10.818) 11.811 6.989 ( 2.526 1.506 7.909) 8.438 7.228 ( 2.107 0.258 11.764) 11.954 7.302 ( 18.858 2.990 2.101) 19.209 7.512 ( 6.962 -0.165 2.421) 7.373 7.662 ( 3.002 -6.488 4.661) 8.534 8.343 ( 5.124 0.198 -0.779) 5.187 8.380 ( 3.166 1.098 3.832) 5.091 8.454 ( -5.009 -3.021 -2.193) 6.247 8.622 ( 6.581 -4.786 -0.759) 8.173 8.857 ( 7.497 7.430 0.853) 10.589 9.039 ( 2.655 -3.849 -4.074) 6.202 9.221 ( -1.228 2.331 -7.239) 7.703 9.847 ( 10.823 2.726 -3.833) 11.800 13.214 ( -12.060 1.641 1.193) 12.229 13.903 ( -4.360 4.900 14.194) 15.636 14.217 ( 3.228 4.042 -3.360) 6.168 15.188 ( 1.142 -6.413 14.068) 15.503 ======================= Grid point 43 (44/135) ======================= q-point: (-0.26 0.38 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 14.922 -2.124 7.612) 16.886 2.131 ( 12.700 -4.587 2.227) 13.686 2.843 ( 4.688 2.148 -3.387) 6.170 2.963 ( 0.163 -1.798 -1.636) 2.436 3.014 ( -4.131 0.732 -0.279) 4.205 3.227 ( 0.039 -6.416 -1.461) 6.581 3.583 ( -4.318 3.085 13.294) 14.314 4.122 ( -4.891 -0.252 6.249) 7.939 4.236 ( -6.156 10.984 6.261) 14.062 4.338 ( -1.311 2.328 12.732) 13.009 4.530 ( 0.000 -0.419 -1.705) 1.756 5.180 ( 0.387 -13.264 0.452) 13.277 5.365 ( -1.184 -4.869 1.194) 5.151 5.824 ( 29.754 3.338 -0.562) 29.946 5.932 ( 26.027 1.954 3.307) 26.309 6.123 ( 3.184 0.883 0.965) 3.443 6.521 ( -17.961 -3.186 -8.736) 20.225 6.744 ( -24.355 -0.222 2.428) 24.477 6.770 ( 1.137 12.494 -1.742) 12.666 7.030 ( 0.916 -0.374 0.420) 1.075 7.042 ( -1.466 -0.995 -7.266) 7.479 7.409 ( -4.492 1.854 -7.021) 8.539 7.585 ( -1.606 -2.602 -9.753) 10.221 7.653 ( -5.285 1.265 -5.394) 7.657 8.189 ( -4.484 1.372 3.522) 5.865 8.394 ( -2.464 0.474 -2.353) 3.440 8.477 ( -3.559 -0.654 0.108) 3.620 8.612 ( 8.183 1.608 3.379) 8.998 8.628 ( -6.094 -1.864 1.847) 6.635 8.863 ( -3.003 -0.659 4.129) 5.147 9.195 ( 2.965 2.069 2.196) 4.230 9.760 ( 2.966 -4.007 -0.812) 5.052 13.489 ( 5.443 -0.620 -3.601) 6.556 14.118 ( 2.345 -0.309 2.310) 3.306 14.268 ( 6.480 -8.762 -8.740) 13.970 15.328 ( -9.997 8.100 -9.032) 15.721 ======================= Grid point 44 (45/135) ======================= q-point: ( 0.34 0.16 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 4.787 5.965 2.864) 8.167 2.301 ( 5.821 2.296 7.485) 9.756 2.516 ( 5.034 -3.363 2.229) 6.452 2.570 ( 4.257 -7.893 -7.632) 11.776 3.007 ( -1.251 5.289 1.241) 5.575 3.106 ( 0.002 -4.870 -0.630) 4.911 4.280 ( 14.259 5.599 -3.827) 15.790 4.359 ( 6.228 -2.826 2.934) 7.442 4.512 ( 7.537 3.036 -2.854) 8.612 4.555 ( 7.676 -1.366 0.934) 7.852 5.289 ( -1.604 3.750 -0.078) 4.080 5.393 ( -2.537 -6.290 -5.388) 8.662 5.597 ( -2.272 0.809 -3.654) 4.378 5.609 ( -2.703 0.405 4.491) 5.257 5.793 ( 1.918 1.140 -10.769) 10.998 5.824 ( 1.812 -1.808 14.200) 14.429 5.975 ( 5.929 2.172 6.370) 8.969 6.011 ( 6.267 -0.992 -4.055) 7.531 6.256 ( 2.462 5.863 4.050) 7.539 6.394 ( 1.602 -8.058 -5.567) 9.924 7.182 ( 1.414 5.712 0.252) 5.890 7.266 ( 1.741 -2.364 -3.609) 4.652 7.585 ( -11.034 0.498 3.699) 11.648 7.645 ( -9.635 -5.453 -3.257) 11.540 8.368 ( -2.230 1.779 0.328) 2.872 8.407 ( -1.961 -2.110 -0.747) 2.976 8.558 ( -5.726 7.143 -1.344) 9.253 8.689 ( -6.633 -6.608 0.633) 9.384 8.890 ( 1.071 9.004 -3.887) 9.866 9.038 ( 1.552 -6.607 3.135) 7.476 9.878 ( -10.587 10.502 7.148) 16.537 10.078 ( -14.534 -10.561 -5.171) 18.695 13.269 ( 5.516 1.376 0.158) 5.688 13.307 ( 5.857 -2.384 1.942) 6.616 14.534 ( -0.673 9.741 -0.006) 9.765 14.704 ( -1.588 -8.125 0.512) 8.294 ======================= Grid point 45 (46/135) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -0.000 0.000 -24.358) 24.358 0.525 ( -0.000 0.000 -24.665) 24.665 1.017 ( -0.000 0.000 -45.718) 45.718 3.007 ( 0.000 -0.000 0.826) 0.826 3.135 ( 0.000 -0.000 3.918) 3.918 3.421 ( 0.000 -0.000 4.489) 4.489 3.863 ( 0.000 -0.000 0.378) 0.378 3.923 ( -0.000 0.000 -10.027) 10.027 4.040 ( 0.000 -0.000 0.930) 0.930 4.394 ( -0.000 0.000 -12.590) 12.590 4.482 ( -0.000 0.000 -0.312) 0.312 4.503 ( -0.000 0.000 -13.668) 13.668 5.057 ( 0.000 -0.000 4.566) 4.566 5.400 ( -0.000 0.000 -5.227) 5.227 5.901 ( 0.000 -0.000 1.553) 1.553 5.968 ( 0.000 -0.000 1.281) 1.281 6.202 ( 0.000 -0.000 6.201) 6.201 6.716 ( 0.000 -0.000 4.938) 4.938 6.810 ( -0.000 0.000 -0.001) 0.001 7.015 ( -0.000 0.000 -1.353) 1.353 7.399 ( 0.000 -0.000 6.019) 6.019 7.726 ( 0.000 -0.000 17.506) 17.506 8.029 ( 0.000 -0.000 1.943) 1.943 8.117 ( 0.000 -0.000 1.157) 1.157 8.600 ( 0.000 -0.000 0.209) 0.209 8.666 ( 0.000 -0.000 4.316) 4.316 8.706 ( -0.000 0.000 -1.375) 1.375 8.827 ( 0.000 -0.000 2.750) 2.750 8.833 ( -0.000 0.000 -2.853) 2.853 8.926 ( -0.000 0.000 -0.091) 0.091 9.050 ( -0.000 0.000 -8.500) 8.500 11.210 ( 0.000 -0.000 3.175) 3.175 12.584 ( -0.000 0.000 -1.982) 1.982 13.960 ( 0.000 -0.000 5.098) 5.098 14.259 ( -0.000 0.000 -4.726) 4.726 14.351 ( 0.000 -0.000 0.900) 0.900 ======================= Grid point 46 (47/135) ======================= q-point: ( 0.54 -0.29 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -8.675 8.957 9.603) 15.739 2.121 ( -10.814 15.974 8.057) 20.905 2.521 ( -0.833 -0.685 -0.393) 1.147 2.867 ( -1.204 -0.480 -4.925) 5.093 3.121 ( 0.998 6.797 -2.522) 7.318 3.144 ( -1.081 -3.466 -4.268) 5.603 4.003 ( -7.417 -5.278 15.057) 17.595 4.319 ( 2.753 -7.233 5.640) 9.577 4.491 ( -9.607 -3.639 -1.354) 10.362 4.541 ( -4.194 1.242 11.599) 12.396 4.576 ( -18.432 0.105 5.246) 19.165 4.624 ( -4.230 -0.952 12.988) 13.693 4.718 ( -0.058 -0.173 17.401) 17.402 5.518 ( -1.568 -0.350 2.073) 2.623 5.675 ( -1.259 -1.243 0.114) 1.773 5.937 ( -1.652 -4.836 3.435) 6.158 6.272 ( -3.416 2.294 0.840) 4.200 6.606 ( -0.715 2.757 -14.868) 15.138 6.689 ( -4.042 0.102 -10.007) 10.793 7.089 ( 4.150 -2.638 -0.203) 4.921 7.250 ( -4.553 -10.857 -2.675) 12.073 7.338 ( 3.409 1.434 -27.499) 27.746 7.548 ( 0.234 0.882 2.858) 3.000 7.809 ( 15.546 2.983 -6.084) 16.959 8.256 ( 1.585 -0.542 1.982) 2.595 8.387 ( 4.249 -3.107 2.173) 5.694 8.512 ( 5.566 -6.106 0.571) 8.282 8.668 ( 7.413 0.745 1.255) 7.556 8.766 ( -1.777 -2.992 1.445) 3.768 9.158 ( 2.036 3.775 -1.079) 4.422 9.692 ( 10.960 9.809 12.601) 19.368 10.120 ( 9.585 -0.299 -4.239) 10.485 12.997 ( -11.806 0.779 3.485) 12.334 14.037 ( -2.815 5.153 -18.144) 19.071 14.439 ( -5.331 0.018 0.762) 5.385 15.027 ( 9.570 -0.248 -11.149) 14.695 ======================= Grid point 47 (48/135) ======================= q-point: ( 0.13 -0.51 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -7.894 3.776 -5.855) 10.529 2.443 ( -5.851 1.286 -8.837) 10.676 2.669 ( -1.762 0.154 4.637) 4.963 2.895 ( 4.265 -2.946 4.780) 7.051 2.932 ( -4.658 -0.216 -1.032) 4.775 3.135 ( 3.058 0.739 2.680) 4.133 4.041 ( 5.621 -3.620 -4.126) 7.857 4.217 ( 3.171 3.636 3.429) 5.919 4.800 ( -1.782 -4.816 -20.977) 21.596 4.972 ( 4.900 -0.093 -18.698) 19.330 5.140 ( -1.866 1.510 -14.735) 14.930 5.251 ( -1.891 2.558 -6.079) 6.861 5.406 ( -0.817 5.318 -1.173) 5.507 5.806 ( -21.387 1.471 2.495) 21.582 5.975 ( 3.400 1.593 14.355) 14.838 6.029 ( -13.029 -0.595 1.389) 13.116 6.170 ( -6.702 1.370 0.419) 6.853 6.526 ( -3.058 -6.641 10.412) 12.723 6.584 ( 4.790 -3.537 6.699) 8.963 6.737 ( -10.157 -0.221 10.300) 14.468 6.809 ( 18.362 3.204 1.755) 18.722 7.057 ( 18.120 -1.903 6.826) 19.457 7.325 ( -2.865 -1.407 -3.007) 4.385 7.546 ( 3.496 -5.001 3.023) 6.810 8.259 ( 1.655 4.672 0.586) 4.991 8.291 ( 1.903 1.153 0.826) 2.374 8.445 ( 4.416 -3.826 0.362) 5.854 8.571 ( 3.483 1.193 4.123) 5.527 8.815 ( -7.504 2.687 -3.671) 8.775 9.022 ( 6.260 -0.829 -2.137) 6.666 9.400 ( -2.171 -0.872 -6.664) 7.062 9.693 ( 4.844 0.170 2.670) 5.533 13.357 ( -3.439 1.676 -0.584) 3.870 13.672 ( -2.896 3.735 13.898) 14.680 14.346 ( -4.317 0.177 -7.327) 8.506 14.853 ( 5.777 -3.731 10.881) 12.872 ======================= Grid point 48 (49/135) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 21.149 -6.591 -0.000) 22.152 1.743 ( 20.917 -9.796 -0.000) 23.097 2.652 ( 19.249 0.331 -0.000) 19.252 3.001 ( -1.474 0.227 0.000) 1.491 3.121 ( -6.468 1.898 0.000) 6.741 3.182 ( 4.029 -6.669 -0.000) 7.792 3.555 ( -6.629 4.436 0.000) 7.976 4.121 ( -3.885 -0.716 0.000) 3.950 4.221 ( -1.389 2.954 0.000) 3.264 4.412 ( -12.885 13.661 0.000) 18.779 4.547 ( 0.132 -2.457 -0.000) 2.460 5.118 ( 25.793 -7.095 -0.000) 26.751 5.232 ( 30.158 1.409 -0.000) 30.191 5.323 ( -3.156 -5.464 0.000) 6.310 5.383 ( 2.980 -5.139 -0.000) 5.940 6.117 ( -1.089 6.377 0.000) 6.469 6.653 ( 7.314 10.271 -0.000) 12.609 6.911 ( -0.447 1.706 0.000) 1.764 6.996 ( -1.316 -4.557 0.000) 4.744 7.099 ( -8.345 -3.444 0.000) 9.028 7.204 ( -7.433 0.768 0.000) 7.472 7.586 ( -10.730 3.800 0.000) 11.383 7.795 ( -4.171 4.087 0.000) 5.839 7.882 ( -8.636 -3.366 0.000) 9.269 8.219 ( -4.854 4.657 0.000) 6.727 8.373 ( 3.026 1.332 -0.000) 3.306 8.523 ( -6.114 2.042 0.000) 6.446 8.608 ( -3.623 -3.493 0.000) 5.033 8.751 ( -6.796 4.482 0.000) 8.141 8.850 ( -2.126 -3.311 0.000) 3.935 9.101 ( 4.444 1.928 -0.000) 4.844 9.744 ( -1.695 -10.345 0.000) 10.483 13.276 ( 16.385 -0.565 -0.000) 16.395 14.145 ( -5.562 -3.744 0.000) 6.705 14.258 ( 4.359 -8.482 -0.000) 9.536 15.646 ( -9.342 10.951 0.000) 14.395 ======================= Grid point 50 (50/135) ======================= q-point: (-0.07 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -12.590 0.000 -20.660) 24.194 1.264 ( -18.412 -0.000 -18.516) 26.112 2.025 ( -13.347 0.000 -30.125) 32.949 2.985 ( 3.010 -0.000 6.863) 7.494 3.006 ( -1.933 -0.000 1.483) 2.436 3.273 ( 1.193 -0.000 7.015) 7.115 3.985 ( -15.077 -0.000 3.929) 15.580 4.133 ( -9.136 -0.000 -2.627) 9.506 4.279 ( -2.200 0.000 -17.650) 17.787 4.512 ( -1.917 0.000 -2.781) 3.378 4.687 ( 4.246 0.000 -11.689) 12.436 4.888 ( 1.253 0.000 -23.026) 23.060 4.942 ( 4.013 0.000 -4.283) 5.869 5.490 ( 2.163 0.000 -4.450) 4.947 5.637 ( 11.443 0.000 1.220) 11.508 6.060 ( -2.820 -0.000 8.420) 8.880 6.165 ( -12.720 -0.000 4.106) 13.366 6.509 ( 1.552 -0.000 13.002) 13.094 6.827 ( -3.623 -0.000 5.010) 6.183 7.045 ( 0.817 -0.000 5.125) 5.190 7.245 ( 0.736 -0.000 23.254) 23.266 7.281 ( -6.812 -0.000 5.581) 8.806 7.911 ( 7.620 0.000 2.331) 7.968 8.060 ( 6.258 0.000 -1.746) 6.497 8.475 ( 3.471 -0.000 5.508) 6.511 8.573 ( 3.089 0.000 1.384) 3.384 8.584 ( 7.553 0.000 1.827) 7.771 8.852 ( 0.957 -0.000 1.852) 2.085 8.912 ( -6.356 -0.000 -1.954) 6.649 8.978 ( -3.366 -0.000 0.906) 3.485 9.217 ( 4.926 0.000 -12.303) 13.253 10.754 ( 27.884 0.000 -6.689) 28.675 12.735 ( -7.056 -0.000 -4.793) 8.530 13.768 ( 0.611 -0.000 9.606) 9.625 14.299 ( 2.306 0.000 1.020) 2.521 14.763 ( -24.593 -0.000 7.554) 25.727 ======================= Grid point 51 (51/135) ======================= q-point: ( 0.53 -0.40 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -10.602 10.885 5.653) 16.212 2.262 ( -8.811 13.381 2.342) 16.192 2.575 ( -7.376 -2.448 -0.506) 7.789 2.953 ( -1.480 -1.058 -1.530) 2.377 3.046 ( 3.481 -1.873 -0.740) 4.021 3.329 ( 0.253 0.853 -4.505) 4.592 3.671 ( 1.324 -1.937 15.344) 15.522 4.101 ( 7.635 -0.619 3.326) 8.351 4.155 ( 4.729 -4.438 9.818) 11.766 4.296 ( 0.853 0.694 12.120) 12.169 4.566 ( 1.881 -0.586 -2.888) 3.497 5.035 ( -27.631 -3.257 2.860) 27.969 5.146 ( -25.041 -1.864 -0.706) 25.120 5.573 ( -8.193 2.559 0.176) 8.585 5.692 ( -4.971 -4.666 1.971) 7.096 5.919 ( -3.795 -0.787 2.230) 4.472 6.338 ( -3.464 2.997 0.291) 4.590 6.823 ( 5.509 -0.812 -3.372) 6.510 6.967 ( -2.993 1.627 -10.439) 10.980 7.041 ( -0.036 -1.576 -4.630) 4.892 7.354 ( 10.849 -1.002 3.371) 11.405 7.405 ( -1.688 -8.108 -0.467) 8.295 7.505 ( 16.438 0.370 -2.264) 16.597 7.772 ( 6.996 2.511 -18.425) 19.868 8.149 ( 2.441 -2.602 3.744) 5.172 8.325 ( -3.292 -2.435 1.765) 4.459 8.424 ( 3.835 -1.602 -2.788) 5.004 8.572 ( 2.458 -2.589 -1.058) 3.723 8.745 ( -0.426 -0.467 2.570) 2.646 9.084 ( 7.539 4.615 2.338) 9.144 9.245 ( 4.867 4.939 8.305) 10.820 10.012 ( 8.386 3.858 -2.659) 9.606 13.239 ( -13.591 -1.092 -0.398) 13.641 14.282 ( 2.929 2.314 -3.169) 4.896 14.622 ( -3.562 12.046 -8.546) 15.193 15.024 ( 8.044 -11.858 -6.295) 15.650 ======================= Grid point 52 (52/135) ======================= q-point: ( 0.13 0.37 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 6.760 3.404 3.751) 8.447 2.539 ( -4.711 2.607 -3.407) 6.372 2.643 ( 8.728 -0.617 5.794) 10.495 2.791 ( -5.153 -2.952 -4.356) 7.365 2.975 ( 5.569 -0.110 2.676) 6.180 3.085 ( -4.996 -2.299 -1.602) 5.728 4.107 ( -2.191 0.314 -0.797) 2.352 4.135 ( -4.383 0.255 -0.386) 4.408 5.092 ( 12.193 1.876 -5.491) 13.503 5.205 ( 4.653 0.070 -1.397) 4.859 5.228 ( -2.675 0.408 0.567) 2.765 5.349 ( -7.951 1.176 5.849) 9.940 5.530 ( 8.068 4.053 2.357) 9.331 5.630 ( -2.086 1.538 -11.456) 11.746 5.891 ( 5.383 -0.245 9.432) 10.863 5.966 ( -1.062 -2.784 1.589) 3.377 6.223 ( 13.181 1.757 4.547) 14.054 6.380 ( 5.284 -3.286 0.295) 6.229 6.541 ( 9.955 -4.532 -0.805) 10.967 6.574 ( 8.750 -1.618 -3.526) 9.572 6.720 ( -19.122 5.891 -3.545) 20.321 7.018 ( -22.556 -2.080 0.945) 22.671 7.383 ( 6.099 -3.164 1.916) 7.133 7.471 ( -1.963 -4.539 -3.570) 6.099 8.239 ( 0.826 3.014 -0.625) 3.187 8.285 ( -2.841 3.937 -0.512) 4.882 8.450 ( -0.559 -1.026 0.263) 1.197 8.487 ( -4.205 -0.353 -2.743) 5.033 8.866 ( 8.266 2.854 1.140) 8.819 9.045 ( -7.559 -1.472 0.113) 7.702 9.545 ( -0.008 -0.211 6.801) 6.804 9.618 ( -8.004 -1.647 -4.510) 9.334 13.434 ( 2.720 1.781 -2.019) 3.827 13.461 ( 0.212 2.359 3.478) 4.208 14.517 ( 5.640 -0.105 8.641) 10.319 14.642 ( -6.288 -2.816 -8.803) 11.178 ======================= Grid point 54 (53/135) ======================= q-point: ( 0.33 -0.08 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -0.000 17.229 16.030) 23.533 1.561 ( -0.000 17.894 17.413) 24.968 2.327 ( -0.000 18.292 16.154) 24.404 2.897 ( 0.000 -4.324 -5.476) 6.977 2.915 ( 0.000 -2.579 -5.540) 6.111 3.226 ( -0.000 0.355 -4.685) 4.698 3.842 ( -0.000 1.136 -1.987) 2.289 3.862 ( 0.000 -8.085 -0.568) 8.105 4.130 ( 0.000 -7.391 24.878) 25.953 4.625 ( 0.000 -3.550 15.203) 15.612 4.636 ( -0.000 4.018 -1.606) 4.327 4.828 ( 0.000 -8.518 7.751) 11.517 4.859 ( 0.000 -2.009 18.264) 18.374 5.489 ( 0.000 0.045 3.637) 3.637 5.679 ( 0.000 -5.173 -4.511) 6.863 5.997 ( 0.000 -3.468 -0.062) 3.468 6.129 ( -0.000 6.330 -0.718) 6.371 6.552 ( -0.000 1.326 -12.669) 12.738 6.626 ( 0.000 -4.512 -9.017) 10.083 7.203 ( -0.000 5.073 0.674) 5.117 7.276 ( -0.000 0.307 -14.136) 14.140 7.369 ( -0.000 3.118 -19.346) 19.596 7.585 ( 0.000 -14.536 2.332) 14.722 8.137 ( 0.000 -4.091 -2.468) 4.778 8.270 ( 0.000 -0.487 -0.748) 0.893 8.620 ( -0.000 0.022 -0.204) 0.205 8.662 ( 0.000 -3.851 0.950) 3.966 8.724 ( 0.000 -2.812 1.992) 3.446 8.961 ( -0.000 1.950 -1.214) 2.297 9.067 ( -0.000 5.443 -3.274) 6.352 9.687 ( -0.000 15.207 13.352) 20.237 10.576 ( 0.000 -14.569 2.307) 14.751 12.667 ( 0.000 0.627 6.592) 6.621 13.831 ( -0.000 6.365 -16.299) 17.498 14.332 ( 0.000 -3.516 6.797) 7.652 15.064 ( -0.000 16.845 -18.383) 24.934 ======================= Grid point 55 (54/135) ======================= q-point: (-0.08 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -11.776 0.000 -15.340) 19.339 1.952 ( -14.525 -0.000 -14.045) 20.205 2.624 ( -2.722 0.000 -7.199) 7.696 2.793 ( 0.237 -0.000 5.404) 5.409 3.080 ( -5.358 -0.000 -3.494) 6.397 3.099 ( 1.189 -0.000 7.062) 7.161 4.218 ( -11.838 -0.000 3.476) 12.338 4.449 ( -9.537 -0.000 -1.503) 9.654 4.509 ( 10.878 0.000 4.378) 11.726 4.530 ( -16.689 -0.000 -0.728) 16.705 4.989 ( -6.763 0.000 -27.673) 28.487 5.247 ( 3.585 0.000 -21.058) 21.361 5.366 ( 2.508 0.000 -21.436) 21.582 5.469 ( 3.981 0.000 0.489) 4.011 5.472 ( 3.636 0.000 -4.999) 6.181 5.988 ( -5.352 -0.000 6.777) 8.636 6.134 ( 1.957 -0.000 18.239) 18.344 6.292 ( -10.171 -0.000 6.397) 12.015 6.480 ( -3.202 -0.000 26.821) 27.011 6.777 ( 2.413 -0.000 11.653) 11.900 7.078 ( -5.960 -0.000 1.165) 6.073 7.386 ( -9.332 -0.000 5.025) 10.599 7.614 ( 18.057 0.000 0.981) 18.083 7.869 ( 12.575 0.000 1.337) 12.646 8.393 ( 6.256 0.000 2.381) 6.693 8.396 ( 0.622 -0.000 1.012) 1.188 8.473 ( 1.333 0.000 -0.519) 1.430 8.721 ( 3.152 -0.000 5.870) 6.663 8.925 ( 5.376 0.000 2.680) 6.007 9.077 ( -3.661 -0.000 -2.997) 4.731 9.396 ( 3.314 0.000 -12.216) 12.658 10.345 ( 22.288 0.000 -1.984) 22.376 13.035 ( -8.231 -0.000 -7.770) 11.319 13.553 ( -1.230 -0.000 10.615) 10.686 14.261 ( 0.492 0.000 -1.508) 1.586 14.920 ( -6.383 -0.000 6.228) 8.918 ======================= Grid point 56 (55/135) ======================= q-point: ( 0.52 -0.52 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -2.715 4.787 0.000) 5.503 2.300 ( 1.417 3.819 -0.000) 4.073 2.826 ( -10.377 -0.650 0.000) 10.398 3.003 ( -1.229 -1.279 0.000) 1.774 3.012 ( 1.067 -2.740 -0.000) 2.940 3.263 ( 3.237 3.115 -0.000) 4.492 3.497 ( 1.947 -10.423 -0.000) 10.603 3.886 ( 6.581 13.279 -0.000) 14.820 4.036 ( -2.545 -6.133 0.000) 6.640 4.148 ( 0.699 2.497 -0.000) 2.593 4.577 ( 0.643 -0.529 -0.000) 0.833 5.332 ( -4.159 -5.949 0.000) 7.258 5.418 ( -4.276 -5.996 0.000) 7.365 5.833 ( -6.357 5.818 0.000) 8.618 5.997 ( -25.969 -0.708 0.000) 25.979 6.124 ( -21.997 1.075 0.000) 22.024 6.360 ( 2.248 4.546 -0.000) 5.071 6.577 ( 20.079 -3.055 -0.000) 20.310 6.843 ( 26.185 2.856 -0.000) 26.340 7.070 ( 2.997 0.325 -0.000) 3.014 7.138 ( -0.924 -1.298 0.000) 1.593 7.366 ( -4.745 -0.590 0.000) 4.781 7.583 ( -5.775 -4.773 0.000) 7.492 7.840 ( 5.902 0.963 -0.000) 5.980 8.071 ( 0.087 0.031 -0.000) 0.092 8.408 ( 1.701 0.048 -0.000) 1.701 8.413 ( -6.243 -2.768 0.000) 6.829 8.562 ( 0.126 -2.349 -0.000) 2.352 8.680 ( 3.995 3.637 -0.000) 5.402 8.844 ( 5.222 0.308 -0.000) 5.231 9.167 ( 0.423 2.143 -0.000) 2.185 9.896 ( 5.068 1.279 -0.000) 5.227 13.500 ( -9.108 -1.948 0.000) 9.314 14.174 ( 7.275 3.810 -0.000) 8.212 14.719 ( 6.013 -3.352 -0.000) 6.884 15.057 ( -5.813 1.328 0.000) 5.963 ======================= Grid point 57 (56/135) ======================= q-point: ( 0.12 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 10.331 5.253 9.437) 14.946 2.250 ( 11.911 2.349 10.968) 16.361 2.637 ( 1.986 -1.656 -1.120) 2.818 2.828 ( 3.010 -0.871 -2.893) 4.265 2.989 ( -3.020 -3.050 -3.955) 5.837 3.173 ( 0.028 0.244 -0.388) 0.459 4.205 ( -8.953 -1.596 2.861) 9.534 4.311 ( -5.489 2.401 -3.325) 6.852 4.745 ( 4.333 -3.529 16.369) 17.296 4.864 ( 17.857 4.577 -0.386) 18.438 5.135 ( -2.162 -1.372 18.059) 18.240 5.196 ( 6.909 -2.916 15.263) 17.006 5.365 ( 3.954 0.073 8.289) 9.184 5.434 ( 10.914 1.549 6.518) 12.807 5.643 ( 8.618 7.815 4.461) 12.460 6.069 ( 1.167 1.524 -8.064) 8.289 6.121 ( -0.535 0.939 -14.265) 14.306 6.426 ( 6.640 -5.084 -7.891) 11.498 6.549 ( 4.829 -2.124 -18.911) 19.633 6.689 ( -2.118 -3.321 -10.550) 11.262 7.171 ( -3.214 -1.109 -0.559) 3.446 7.238 ( -13.001 1.692 -1.494) 13.195 7.465 ( -10.356 0.308 -2.846) 10.744 7.567 ( -2.486 -6.441 -3.978) 7.968 8.310 ( -3.244 1.580 -2.676) 4.493 8.351 ( -4.289 3.761 0.041) 5.705 8.486 ( 3.627 -5.036 0.522) 6.228 8.629 ( -6.916 -3.228 -0.282) 7.638 8.807 ( -3.761 7.243 -2.906) 8.663 9.102 ( -1.126 -2.681 2.047) 3.557 9.399 ( -2.207 3.579 9.056) 9.985 9.904 ( -15.530 -1.992 1.059) 15.693 13.232 ( 8.163 2.083 3.588) 9.157 13.607 ( 3.229 1.954 -12.623) 13.175 14.307 ( -0.179 3.914 5.003) 6.355 14.928 ( -1.120 -4.678 -10.245) 11.318 ======================= Grid point 59 (57/135) ======================= q-point: ( 0.32 -0.19 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -9.421 17.202 15.637) 25.083 1.322 ( -14.408 20.572 9.252) 26.766 2.111 ( -11.378 28.752 11.142) 32.868 2.990 ( 1.067 -4.770 -3.452) 5.985 3.044 ( -4.344 1.800 -2.808) 5.476 3.274 ( 3.364 -2.432 -2.228) 4.711 3.733 ( -0.050 -8.440 11.638) 14.376 4.028 ( -14.725 -7.500 0.259) 16.527 4.061 ( -17.288 -0.277 -0.392) 17.295 4.294 ( -0.310 -3.802 12.105) 12.692 4.428 ( 2.969 -1.213 13.321) 13.702 4.648 ( 1.590 4.186 -1.089) 4.608 4.776 ( 9.347 -10.652 -2.608) 14.409 5.417 ( -0.656 1.888 2.421) 3.139 5.753 ( 2.427 -2.851 -3.459) 5.097 5.959 ( 0.159 -7.503 2.339) 7.860 6.211 ( -5.227 0.006 -0.853) 5.296 6.769 ( -2.461 2.172 -7.735) 8.403 6.831 ( -1.310 -2.022 -6.700) 7.121 7.171 ( 1.249 1.433 0.551) 1.979 7.296 ( -3.356 -1.281 4.634) 5.863 7.583 ( -0.919 -17.303 -1.125) 17.364 7.887 ( 3.079 5.470 -19.783) 20.754 8.126 ( 6.845 1.898 -5.537) 9.006 8.304 ( 0.106 -4.174 -0.951) 4.282 8.487 ( 4.051 -5.568 5.478) 8.799 8.682 ( 0.475 -2.877 -2.372) 3.759 8.738 ( -0.903 -0.076 0.511) 1.041 8.835 ( 10.772 1.293 0.040) 10.849 9.106 ( -0.014 4.715 1.878) 5.076 9.343 ( 4.038 12.070 13.756) 18.741 10.328 ( 11.727 0.778 4.825) 12.704 12.692 ( -10.776 -0.705 1.981) 10.979 14.146 ( -1.987 9.625 -10.063) 14.066 14.304 ( -5.891 -1.922 2.367) 6.633 15.512 ( 5.041 3.956 -23.610) 24.464 ======================= Grid point 60 (58/135) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -6.959 -0.000 -5.849) 9.091 2.442 ( -10.536 -0.000 -7.543) 12.958 2.612 ( 4.532 0.000 0.885) 4.617 2.836 ( -6.339 -0.000 -1.717) 6.568 2.927 ( 2.552 -0.000 4.586) 5.248 3.202 ( 2.597 0.000 -2.008) 3.283 4.210 ( 8.222 0.000 3.865) 9.085 4.222 ( 3.896 0.000 0.638) 3.948 4.704 ( -20.192 -0.000 8.384) 21.863 5.012 ( -21.309 -0.000 -5.766) 22.076 5.249 ( 3.229 -0.000 10.478) 10.964 5.375 ( 1.701 0.000 -0.347) 1.736 5.484 ( 4.923 0.000 -0.441) 4.943 5.695 ( 4.115 -0.000 15.511) 16.048 5.725 ( -9.998 0.000 -12.901) 16.321 5.943 ( -7.711 0.000 -25.014) 26.176 6.003 ( -1.347 0.000 -4.600) 4.793 6.153 ( -9.193 -0.000 8.717) 12.669 6.389 ( -8.775 -0.000 4.108) 9.689 6.592 ( -1.422 -0.000 3.907) 4.157 7.153 ( 23.155 0.000 0.976) 23.175 7.238 ( -9.242 -0.000 -0.604) 9.262 7.370 ( 4.005 -0.000 4.886) 6.318 7.576 ( 10.135 0.000 1.347) 10.225 8.252 ( 3.429 0.000 0.891) 3.543 8.280 ( 3.280 0.000 2.256) 3.981 8.520 ( 3.267 -0.000 5.483) 6.383 8.597 ( -2.406 -0.000 -0.020) 2.406 8.713 ( 4.980 0.000 0.132) 4.982 9.157 ( 1.293 0.000 -1.575) 2.038 9.572 ( 2.815 0.000 -9.765) 10.163 9.917 ( 17.969 0.000 3.111) 18.236 13.366 ( -3.733 0.000 -11.445) 12.038 13.400 ( -2.259 -0.000 6.645) 7.018 14.389 ( -5.435 0.000 -6.169) 8.222 14.797 ( 4.922 -0.000 5.927) 7.704 ======================= Grid point 62 (59/135) ======================= q-point: ( 0.11 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 15.706 9.164 13.779) 22.815 1.682 ( 15.911 5.528 15.382) 22.811 2.427 ( 14.327 4.141 11.417) 18.782 2.911 ( -1.644 -0.793 -5.298) 5.603 3.046 ( 2.843 -0.805 -2.084) 3.616 3.202 ( -2.343 -1.556 -3.224) 4.278 4.100 ( -3.198 -1.631 16.864) 17.242 4.424 ( 20.562 2.104 -2.643) 20.837 4.477 ( 1.693 -2.029 0.664) 2.725 4.570 ( -2.563 0.229 4.475) 5.162 4.639 ( 17.646 -1.293 5.169) 18.433 4.799 ( -4.988 -4.710 14.072) 15.655 4.838 ( 2.542 -3.621 20.343) 20.818 5.386 ( -3.519 1.209 1.003) 3.853 5.581 ( -4.381 8.459 2.325) 9.806 6.082 ( 3.342 -4.214 -3.417) 6.372 6.380 ( 9.399 -3.470 -4.471) 10.971 6.498 ( -1.002 2.156 -14.338) 14.534 6.823 ( 2.796 -6.508 -7.960) 10.656 7.048 ( -2.837 3.076 -8.478) 9.455 7.251 ( -1.424 2.155 -18.432) 18.612 7.461 ( 7.267 0.847 -0.756) 7.355 7.650 ( -11.850 -2.600 -4.741) 13.025 7.837 ( -11.749 -4.907 -1.288) 12.798 8.373 ( 0.548 -5.253 -1.893) 5.611 8.463 ( -4.923 -0.855 0.079) 4.997 8.498 ( -6.800 4.838 -1.930) 8.565 8.755 ( -5.593 -6.648 2.420) 9.019 8.924 ( 1.306 1.504 -2.810) 3.444 9.058 ( 0.473 -2.016 1.594) 2.613 9.260 ( -4.832 11.183 10.722) 16.229 10.171 ( -20.305 -2.247 8.953) 22.304 12.958 ( 12.032 1.923 2.127) 12.369 13.823 ( 3.367 3.481 -13.294) 14.148 14.300 ( -4.231 5.839 1.373) 7.341 15.118 ( 8.485 -3.063 -15.592) 18.013 ======================= Grid point 63 (60/135) ======================= q-point: (-0.29 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 -8.319 -19.943) 21.608 1.649 ( 0.000 -11.796 -19.603) 22.878 2.535 ( 0.000 -1.637 -16.763) 16.843 2.844 ( -0.000 0.967 4.375) 4.481 2.884 ( -0.000 6.519 5.772) 8.707 3.085 ( 0.000 -1.582 7.276) 7.447 3.740 ( 0.000 -2.175 4.767) 5.240 3.944 ( -0.000 3.280 1.545) 3.626 4.540 ( 0.000 -3.324 0.101) 3.326 4.708 ( -0.000 7.289 -4.085) 8.355 4.959 ( -0.000 -0.794 -29.803) 29.813 5.295 ( -0.000 2.468 -23.192) 23.323 5.392 ( -0.000 4.036 -23.785) 24.125 5.586 ( -0.000 1.824 -4.491) 4.848 5.664 ( -0.000 6.310 7.775) 10.013 5.881 ( 0.000 -3.870 8.409) 9.257 5.967 ( 0.000 -7.791 1.089) 7.866 6.196 ( 0.000 -0.988 18.365) 18.391 6.420 ( 0.000 -0.521 28.901) 28.906 6.737 ( -0.000 8.852 14.921) 17.350 7.105 ( 0.000 -9.438 8.043) 12.400 7.113 ( 0.000 -5.075 0.071) 5.076 7.860 ( -0.000 9.787 -1.702) 9.934 8.208 ( -0.000 7.058 3.515) 7.885 8.300 ( -0.000 1.544 -2.212) 2.697 8.557 ( 0.000 -0.586 2.092) 2.172 8.692 ( 0.000 -5.385 5.322) 7.572 8.763 ( 0.000 -0.457 0.163) 0.485 8.917 ( -0.000 1.112 -2.107) 2.382 8.945 ( 0.000 -0.287 0.080) 0.298 9.666 ( 0.000 -12.609 -11.531) 17.087 10.835 ( -0.000 12.175 6.037) 13.589 12.841 ( -0.000 -0.144 -11.429) 11.430 13.509 ( -0.000 3.920 12.713) 13.304 14.464 ( 0.000 -15.870 6.668) 17.214 14.581 ( -0.000 2.859 -10.454) 10.838 ======================= Grid point 64 (61/135) ======================= q-point: ( 0.31 -0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -17.180 16.284 0.000) 23.671 1.601 ( -19.056 18.729 0.000) 26.719 2.324 ( -17.294 12.610 0.000) 21.403 2.993 ( 1.254 -3.450 -0.000) 3.671 3.195 ( 5.447 -2.984 -0.000) 6.211 3.205 ( -7.133 7.775 0.000) 10.551 3.576 ( 3.696 -6.452 -0.000) 7.435 4.129 ( 0.389 -4.345 -0.000) 4.362 4.213 ( 3.164 -1.424 -0.000) 3.470 4.400 ( -11.336 -6.442 0.000) 13.038 4.582 ( -28.787 -0.499 0.000) 28.792 4.592 ( -0.280 -9.372 0.000) 9.377 4.623 ( 1.818 3.099 -0.000) 3.593 5.433 ( -2.515 3.761 0.000) 4.525 5.675 ( 7.505 5.922 -0.000) 9.560 5.943 ( -1.527 -10.236 0.000) 10.350 6.339 ( -5.677 -6.991 0.000) 9.006 6.901 ( 0.110 -0.350 -0.000) 0.366 6.979 ( -6.235 2.340 0.000) 6.660 7.188 ( -0.017 -6.241 0.000) 6.241 7.242 ( -0.166 4.363 0.000) 4.366 7.633 ( -1.369 -14.785 0.000) 14.849 7.904 ( 13.351 2.376 -0.000) 13.561 8.151 ( 11.089 4.766 -0.000) 12.070 8.205 ( 3.332 -5.172 -0.000) 6.153 8.335 ( 2.300 -3.769 -0.000) 4.415 8.623 ( 8.208 -1.442 -0.000) 8.334 8.701 ( 1.449 2.065 -0.000) 2.522 8.712 ( 1.357 -4.916 -0.000) 5.100 9.053 ( 5.548 8.271 -0.000) 9.959 9.087 ( -0.441 5.087 0.000) 5.106 10.073 ( 8.700 10.243 -0.000) 13.439 12.952 ( -15.199 -0.558 0.000) 15.210 14.283 ( -0.350 6.047 0.000) 6.057 14.391 ( -3.675 7.512 0.000) 8.363 15.590 ( 11.097 -12.035 -0.000) 16.370 ======================= Grid point 65 (62/135) ======================= q-point: (-0.09 0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 5.846 0.000 4.340) 7.281 2.438 ( -4.481 -0.000 0.204) 4.485 2.745 ( 4.263 0.000 1.354) 4.472 2.772 ( -6.379 -0.000 -5.416) 8.368 3.039 ( -3.485 -0.000 -3.109) 4.670 3.099 ( 7.095 0.000 0.538) 7.115 4.045 ( 0.259 -0.000 3.977) 3.985 4.142 ( 1.897 0.000 -0.532) 1.970 4.775 ( -13.712 -0.000 18.566) 23.081 4.870 ( 1.964 -0.000 17.895) 18.003 5.158 ( -0.491 -0.000 21.041) 21.047 5.311 ( -0.406 -0.000 0.291) 0.500 5.351 ( 8.295 0.000 6.259) 10.391 5.633 ( -22.457 -0.000 -8.628) 24.058 6.147 ( -4.950 -0.000 -3.653) 6.152 6.166 ( 11.279 0.000 -13.249) 17.400 6.241 ( -20.502 -0.000 2.029) 20.602 6.509 ( 14.317 0.000 1.868) 14.439 6.558 ( -6.412 -0.000 -5.985) 8.771 6.718 ( -10.375 0.000 -23.056) 25.283 6.752 ( 12.452 0.000 -6.941) 14.255 7.038 ( 16.167 0.000 0.451) 16.173 7.417 ( 2.791 -0.000 4.662) 5.434 7.450 ( -9.868 -0.000 -0.172) 9.870 8.200 ( 0.549 -0.000 1.683) 1.770 8.241 ( -1.242 0.000 -2.049) 2.396 8.412 ( -1.104 -0.000 1.746) 2.066 8.490 ( 1.013 0.000 -0.405) 1.091 8.849 ( -8.395 -0.000 0.387) 8.404 9.052 ( 10.710 0.000 0.982) 10.755 9.525 ( 9.101 0.000 6.206) 11.015 9.680 ( 2.898 0.000 -5.914) 6.586 13.368 ( -1.130 -0.000 0.119) 1.136 13.668 ( 1.105 0.000 -14.579) 14.621 14.509 ( 9.719 0.000 5.939) 11.390 14.724 ( -9.236 0.000 -10.181) 13.746 ======================= Grid point 66 (63/135) ======================= q-point: (-0.49 0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 11.690 -6.808 -10.334) 17.023 2.145 ( 12.699 -9.675 -7.612) 17.686 2.607 ( 6.105 2.200 0.305) 6.497 2.904 ( 0.854 0.474 4.327) 4.436 3.026 ( -2.855 0.603 2.422) 3.793 3.220 ( 2.035 -0.235 3.766) 4.287 4.038 ( -3.673 -4.160 -16.014) 16.949 4.239 ( -9.745 7.787 -8.851) 15.295 4.479 ( -3.137 0.758 3.789) 4.977 4.615 ( -2.122 3.705 -18.582) 19.066 4.669 ( -0.994 2.578 -20.843) 21.025 5.098 ( 26.165 -2.864 2.499) 26.440 5.181 ( 25.131 3.717 -4.174) 25.745 5.478 ( 4.719 -8.003 -1.917) 9.486 5.725 ( 5.871 -6.210 -3.154) 9.109 6.045 ( 1.943 4.692 -2.463) 5.644 6.387 ( 3.456 8.042 2.408) 9.079 6.528 ( -2.591 -3.536 15.990) 16.580 6.786 ( 2.551 2.385 11.639) 12.152 7.002 ( -4.748 -0.009 4.124) 6.289 7.244 ( -3.052 -1.425 18.157) 18.467 7.356 ( -19.773 -2.667 2.106) 20.063 7.478 ( -6.335 5.838 4.280) 9.619 7.535 ( -0.083 4.303 1.969) 4.733 8.292 ( -1.232 3.631 -2.568) 4.615 8.388 ( -0.485 3.046 0.130) 3.087 8.443 ( -3.599 -1.806 -0.676) 4.083 8.555 ( -2.547 1.930 0.913) 3.323 8.917 ( -1.848 6.723 -5.425) 8.835 8.992 ( -3.906 -5.928 1.409) 7.238 9.323 ( -6.186 -7.328 -9.035) 13.176 9.896 ( -9.060 -2.396 1.202) 9.448 13.233 ( 11.448 -0.306 0.538) 11.465 14.018 ( 5.300 -6.350 16.078) 18.081 14.324 ( -5.354 -7.480 -2.057) 9.426 15.034 ( -2.164 9.493 11.219) 14.855 ======================= Grid point 68 (64/135) ======================= q-point: (-0.29 -0.21 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -5.057 -5.017 -13.991) 15.700 2.080 ( -5.786 -6.393 -13.115) 15.696 2.592 ( -0.542 8.701 2.245) 9.002 2.704 ( -0.133 9.051 8.592) 12.480 2.937 ( 0.593 -4.560 -0.685) 4.649 3.081 ( -5.598 -1.234 -5.299) 7.806 3.791 ( -15.239 -4.977 5.725) 17.022 4.070 ( -15.144 1.888 1.276) 15.315 4.511 ( 2.696 -1.852 0.649) 3.335 4.616 ( 6.242 1.107 1.833) 6.600 5.353 ( 3.777 3.828 11.449) 12.649 5.560 ( 4.076 2.635 3.947) 6.256 5.619 ( 2.058 -2.411 16.121) 16.429 5.656 ( 4.291 -2.381 -2.985) 5.744 5.775 ( 0.125 1.143 4.566) 4.709 5.810 ( -2.973 1.181 -10.550) 11.024 5.859 ( -4.503 1.253 -13.473) 14.261 5.920 ( -3.139 1.099 -7.779) 8.460 6.084 ( -5.241 -4.012 -7.187) 9.758 6.478 ( -1.096 4.063 11.222) 11.985 7.010 ( -2.650 -6.907 2.351) 7.763 7.150 ( -4.936 -4.599 3.257) 7.492 7.857 ( 7.058 6.066 -4.208) 10.214 7.952 ( 7.699 7.655 7.750) 13.339 8.400 ( 2.406 0.124 -4.316) 4.943 8.483 ( 3.200 -0.777 3.632) 4.903 8.539 ( 2.794 -4.266 0.991) 5.195 8.713 ( -0.522 -7.529 5.809) 9.524 8.902 ( 3.725 3.920 -0.586) 5.439 9.065 ( -3.298 2.459 -4.414) 6.034 9.846 ( 5.060 -9.106 -10.619) 14.876 10.546 ( 11.185 8.487 8.035) 16.177 13.184 ( -2.951 0.967 -14.486) 14.816 13.262 ( -2.931 3.445 9.423) 10.453 14.350 ( -0.557 -9.248 2.922) 9.715 14.827 ( -0.553 3.890 -7.935) 8.854 ======================= Grid point 70 (65/135) ======================= q-point: (-0.10 0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 11.989 0.000 4.674) 12.868 2.225 ( 11.553 0.000 10.383) 15.533 2.773 ( 1.952 0.000 -4.936) 5.308 2.922 ( 1.783 0.000 -0.577) 1.874 3.013 ( -3.554 -0.000 -2.011) 4.084 3.135 ( -1.775 -0.000 -0.933) 2.005 3.926 ( -4.078 -0.000 13.613) 14.210 4.200 ( -5.852 -0.000 -0.052) 5.852 4.557 ( 1.240 -0.000 6.021) 6.148 4.581 ( -8.040 -0.000 17.058) 18.858 4.721 ( -1.198 -0.000 20.364) 20.399 5.088 ( 5.987 0.000 3.997) 7.198 5.342 ( -2.325 -0.000 0.915) 2.498 5.837 ( 30.182 0.000 -1.473) 30.218 5.996 ( 29.776 0.000 1.838) 29.832 6.174 ( -1.334 -0.000 1.258) 1.833 6.255 ( -15.566 -0.000 -12.024) 19.669 6.767 ( -24.817 -0.000 -1.898) 24.890 6.812 ( 7.059 0.000 -6.660) 9.704 6.840 ( -5.601 0.000 -8.407) 10.102 6.966 ( 0.249 0.000 -9.997) 10.000 7.268 ( 2.480 0.000 0.031) 2.480 7.315 ( -8.147 0.000 -14.085) 16.272 7.627 ( -7.224 -0.000 -0.192) 7.226 8.215 ( -3.685 -0.000 -0.251) 3.693 8.341 ( -2.253 0.000 -3.098) 3.831 8.503 ( -8.793 -0.000 0.789) 8.828 8.596 ( -6.597 -0.000 -1.539) 6.774 8.712 ( 14.241 0.000 3.944) 14.777 8.957 ( -6.788 -0.000 4.366) 8.071 9.294 ( 3.428 -0.000 4.699) 5.816 9.708 ( 0.722 0.000 -0.431) 0.841 13.389 ( 5.452 0.000 -4.220) 6.894 13.928 ( 3.335 0.000 -13.764) 14.162 14.212 ( 5.825 0.000 5.164) 7.785 15.152 ( -7.981 0.000 -12.907) 15.175 ======================= Grid point 71 (66/135) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 11.463 -9.273 -11.074) 18.440 2.081 ( 7.304 -7.968 -12.831) 16.777 2.536 ( 1.893 3.555 1.423) 4.271 2.760 ( 1.128 4.157 8.065) 9.143 2.988 ( 1.913 -3.076 0.134) 3.624 3.139 ( 0.132 2.005 2.188) 2.971 4.276 ( 7.105 2.884 -4.396) 8.839 4.381 ( 13.612 -3.115 4.403) 14.641 4.539 ( 3.552 4.135 -0.496) 5.473 4.556 ( 7.335 -2.895 0.877) 7.935 4.911 ( 4.660 1.760 -27.143) 27.596 5.163 ( -1.185 3.946 -21.558) 21.948 5.213 ( -1.018 5.514 -21.436) 22.158 5.490 ( -0.649 -5.747 -2.455) 6.283 5.714 ( 1.127 -0.534 -1.388) 1.865 5.992 ( 4.089 -1.575 2.657) 5.125 6.199 ( -0.090 -2.709 16.963) 17.179 6.254 ( 3.250 -0.575 3.045) 4.490 6.459 ( 2.296 1.711 19.441) 19.650 6.623 ( 0.182 3.611 21.818) 22.115 7.182 ( -1.140 -2.961 0.022) 3.173 7.351 ( 3.062 6.098 4.320) 8.076 7.541 ( -5.819 -0.320 -0.100) 5.829 7.723 ( -14.072 4.084 3.409) 15.044 8.320 ( 0.997 0.561 -2.572) 2.815 8.436 ( -4.146 1.311 0.895) 4.440 8.582 ( -6.746 -6.494 0.856) 9.403 8.663 ( -5.824 7.462 -1.652) 9.609 8.923 ( 2.811 0.503 -1.403) 3.181 9.031 ( -0.710 -0.758 2.670) 2.865 9.704 ( -9.869 -12.543 -9.263) 18.453 10.145 ( -15.260 7.896 1.156) 17.221 13.079 ( 8.973 -1.094 -6.820) 11.323 13.572 ( 4.122 -2.713 15.553) 16.317 14.472 ( -2.847 -5.640 -3.910) 7.430 14.811 ( 1.416 3.219 8.887) 9.557 ======================= Grid point 72 (67/135) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -0.000 24.944 -0.000) 24.944 0.521 ( -0.000 27.750 -0.000) 27.750 0.952 ( -0.000 50.710 -0.000) 50.710 3.009 ( 0.000 -0.702 0.000) 0.702 3.144 ( 0.000 -3.466 0.000) 3.466 3.419 ( 0.000 -4.504 0.000) 4.504 3.756 ( 0.000 -4.905 0.000) 4.905 3.880 ( 0.000 -0.104 0.000) 0.104 4.005 ( 0.000 -4.801 0.000) 4.801 4.227 ( 0.000 -3.060 0.000) 3.060 4.322 ( 0.000 -1.019 0.000) 1.019 4.551 ( -0.000 6.837 -0.000) 6.837 5.243 ( 0.000 -14.163 0.000) 14.163 5.340 ( -0.000 1.147 -0.000) 1.147 5.897 ( 0.000 -2.213 0.000) 2.213 6.065 ( -0.000 6.764 -0.000) 6.764 6.145 ( 0.000 -11.781 0.000) 11.781 6.778 ( -0.000 1.667 -0.000) 1.667 6.864 ( -0.000 4.190 -0.000) 4.190 7.044 ( -0.000 4.653 -0.000) 4.653 7.366 ( 0.000 -8.702 0.000) 8.702 7.919 ( 0.000 -14.110 0.000) 14.110 8.016 ( -0.000 7.503 -0.000) 7.503 8.170 ( -0.000 3.839 -0.000) 3.839 8.468 ( 0.000 -11.728 0.000) 11.728 8.511 ( 0.000 -5.738 0.000) 5.738 8.692 ( -0.000 3.910 -0.000) 3.910 8.774 ( 0.000 -1.048 0.000) 1.048 8.924 ( -0.000 6.293 -0.000) 6.293 8.955 ( -0.000 12.967 -0.000) 12.967 8.964 ( -0.000 1.293 -0.000) 1.293 10.369 ( -0.000 1.267 -0.000) 1.267 12.556 ( 0.000 -0.847 0.000) 0.847 14.074 ( -0.000 6.289 -0.000) 6.289 14.201 ( 0.000 -0.739 0.000) 0.739 16.067 ( 0.000 -3.595 0.000) 3.595 ======================= Grid point 73 (68/135) ======================= q-point: ( 0.70 -0.32 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -4.492 0.316 2.663) 5.231 2.415 ( -4.468 -1.275 -4.974) 6.807 2.565 ( -3.802 11.001 6.805) 13.483 2.744 ( -2.975 2.779 -7.002) 8.100 2.946 ( -0.671 -5.340 -4.253) 6.860 3.230 ( 1.308 6.231 -2.071) 6.696 4.064 ( -20.176 -6.868 6.032) 22.150 4.329 ( 5.099 -4.104 6.202) 9.017 4.402 ( -0.541 -4.063 0.808) 4.177 4.554 ( -16.511 -1.030 -0.021) 16.543 4.996 ( 1.961 0.064 18.514) 18.618 5.090 ( -9.517 7.303 22.922) 25.871 5.158 ( 0.108 -0.168 22.835) 22.836 5.507 ( 0.791 -4.080 2.236) 4.719 5.688 ( 1.755 -2.760 3.632) 4.888 5.962 ( -5.136 1.214 3.086) 6.114 6.287 ( -0.549 1.230 -17.619) 17.670 6.383 ( -5.120 3.175 1.196) 6.142 6.439 ( -2.630 0.545 -14.079) 14.333 6.613 ( 0.917 0.987 -35.705) 35.731 7.082 ( -6.450 -4.323 0.303) 7.771 7.134 ( -2.148 -3.818 5.919) 7.364 7.637 ( 11.008 1.752 1.460) 11.242 7.764 ( 11.918 5.224 -3.731) 13.537 8.316 ( 3.775 0.413 2.947) 4.807 8.357 ( 4.398 -4.369 1.204) 6.315 8.459 ( 3.510 -1.728 2.667) 4.735 8.640 ( 0.336 -6.258 0.974) 6.342 8.789 ( 5.313 2.481 1.093) 5.965 9.178 ( -0.194 2.242 -2.255) 3.186 9.930 ( 7.352 -2.678 -9.464) 12.280 10.086 ( 14.904 5.916 9.504) 18.640 13.143 ( -7.171 2.524 6.934) 10.289 13.666 ( -2.622 0.481 -20.067) 20.243 14.394 ( -6.126 -4.080 -1.124) 7.446 14.890 ( 8.332 3.108 -5.516) 10.464 ======================= Grid point 74 (69/135) ======================= q-point: ( 0.30 -0.55 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -9.269 2.669 -7.293) 12.093 2.309 ( -3.186 4.309 -6.061) 8.090 2.743 ( -4.993 -0.991 2.826) 5.822 2.926 ( -1.070 -0.805 3.760) 3.991 2.969 ( 2.020 0.137 1.929) 2.797 3.233 ( 0.365 0.646 4.470) 4.531 3.888 ( 7.456 2.097 -6.687) 10.233 4.150 ( 0.483 -4.636 -20.403) 20.929 4.428 ( 1.607 -1.740 3.690) 4.385 4.567 ( 2.404 0.407 -18.026) 18.191 4.656 ( 0.299 -2.722 -21.323) 21.498 5.347 ( -2.120 4.499 0.531) 5.002 5.465 ( -3.445 2.175 -0.465) 4.101 5.822 ( -20.114 2.195 -2.233) 20.356 6.054 ( -22.700 4.550 -3.901) 23.478 6.101 ( -6.552 -2.130 0.260) 6.894 6.363 ( 10.931 3.063 10.522) 15.478 6.470 ( -1.025 -10.807 4.397) 11.712 6.780 ( 20.987 -1.181 0.853) 21.038 6.821 ( 1.873 -0.418 11.398) 11.559 6.974 ( 4.428 0.781 6.341) 7.773 7.256 ( -1.382 0.307 11.679) 11.765 7.341 ( 6.069 -0.036 6.635) 8.992 7.518 ( 1.824 -4.083 3.264) 5.537 8.249 ( 2.153 -1.137 -4.330) 4.967 8.339 ( 1.834 -0.421 1.913) 2.684 8.440 ( 0.918 0.156 2.811) 2.961 8.617 ( -7.965 -2.709 -0.115) 8.414 8.769 ( 8.801 3.281 -4.884) 10.586 8.955 ( 1.334 0.192 -3.019) 3.306 9.261 ( 0.146 0.832 -5.798) 5.860 9.778 ( 2.359 1.826 3.328) 4.469 13.412 ( -4.892 0.061 3.438) 5.979 14.132 ( -5.076 6.099 17.945) 19.621 14.229 ( 2.177 2.807 -4.921) 6.069 14.968 ( 4.056 -7.069 8.983) 12.129 ======================= Grid point 75 (70/135) ======================= q-point: (-0.10 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 19.385 0.000 12.932) 23.302 1.702 ( 21.307 0.000 5.339) 21.966 2.664 ( 18.459 0.000 0.878) 18.480 2.962 ( -2.678 0.000 -3.340) 4.281 3.115 ( 3.005 0.000 -0.197) 3.012 3.154 ( -6.694 -0.000 0.142) 6.696 3.714 ( -4.899 -0.000 10.756) 11.819 4.227 ( -5.785 -0.000 9.527) 11.146 4.390 ( -1.890 -0.000 12.877) 13.015 4.515 ( 0.591 0.000 -0.366) 0.696 4.580 ( -10.543 -0.000 -0.061) 10.543 4.934 ( 12.262 0.000 -2.063) 12.434 5.262 ( 30.628 0.000 0.578) 30.633 5.343 ( 13.979 0.000 3.409) 14.389 5.350 ( -1.325 -0.000 1.770) 2.211 6.185 ( -1.648 -0.000 0.225) 1.663 6.729 ( 10.232 0.000 -3.118) 10.697 6.736 ( -3.988 0.000 -13.164) 13.754 6.972 ( 2.934 0.000 2.915) 4.136 7.096 ( -4.748 -0.000 -4.615) 6.621 7.233 ( -17.732 -0.000 3.856) 18.147 7.571 ( -6.564 0.000 -17.611) 18.795 7.591 ( -3.993 -0.000 -3.684) 5.433 7.815 ( -7.235 -0.000 -3.690) 8.122 8.326 ( -6.909 -0.000 1.419) 7.053 8.419 ( 3.866 0.000 2.803) 4.775 8.475 ( -3.665 0.000 -3.880) 5.337 8.651 ( -8.886 -0.000 4.622) 10.016 8.739 ( -4.278 -0.000 -0.673) 4.331 8.950 ( -4.297 -0.000 6.528) 7.815 9.159 ( 3.450 0.000 1.405) 3.725 9.673 ( -2.335 -0.000 5.274) 5.767 13.240 ( 15.760 0.000 -2.204) 15.913 14.090 ( 4.007 0.000 -8.149) 9.081 14.125 ( -4.056 -0.000 1.662) 4.383 15.581 ( -5.707 0.000 -14.282) 15.380 ======================= Grid point 78 (71/135) ======================= q-point: ( 0.69 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -6.679 4.844 3.093) 8.811 2.449 ( 1.137 1.225 1.143) 2.025 2.606 ( -8.239 5.268 2.434) 10.077 2.865 ( -0.230 -2.648 -3.975) 4.782 3.055 ( 2.805 2.829 -0.825) 4.069 3.224 ( 1.558 0.719 -4.573) 4.884 3.950 ( 5.760 -2.327 14.888) 16.132 4.211 ( -6.659 -4.411 10.165) 12.928 4.265 ( 3.890 -5.895 3.669) 7.959 4.582 ( 2.104 2.965 9.594) 10.260 4.670 ( 0.104 0.589 19.396) 19.405 5.088 ( -25.631 1.784 0.361) 25.695 5.170 ( -15.795 1.682 5.524) 16.818 5.530 ( -3.668 -9.494 1.222) 10.251 5.625 ( -13.948 -3.308 4.251) 14.952 6.002 ( -4.987 2.887 2.824) 6.417 6.472 ( -4.908 6.731 -0.797) 8.368 6.643 ( 3.134 1.881 -13.937) 14.408 6.765 ( -1.880 0.159 -11.673) 11.824 6.977 ( 2.773 -1.061 2.451) 3.850 7.222 ( -4.135 -2.985 -2.269) 5.582 7.285 ( 2.646 0.428 -25.090) 25.233 7.406 ( 12.835 -1.859 -2.462) 13.200 7.510 ( 15.562 2.086 0.334) 15.705 8.183 ( 1.869 -1.815 3.131) 4.073 8.297 ( 0.645 -1.726 -1.225) 2.213 8.364 ( -0.330 -2.497 2.057) 3.252 8.537 ( 3.945 -1.520 1.349) 4.438 8.760 ( -1.915 -1.021 0.325) 2.195 9.166 ( 4.322 2.834 -0.190) 5.172 9.560 ( 13.167 3.895 10.963) 17.570 9.949 ( 8.360 0.555 -6.729) 10.746 13.241 ( -9.923 0.676 1.157) 10.014 14.075 ( 0.974 -2.514 -15.330) 15.565 14.625 ( -2.253 6.267 -5.843) 8.860 14.774 ( 6.380 -3.307 -4.824) 8.655 ======================= Grid point 79 (72/135) ======================= q-point: (-0.71 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 3.446 0.087 -6.222) 7.113 2.492 ( 1.148 -0.409 -5.199) 5.340 2.690 ( 1.272 -1.015 1.765) 2.401 2.800 ( 1.799 0.187 6.415) 6.665 2.967 ( -1.260 -1.289 -1.165) 2.146 3.106 ( 1.314 0.580 5.799) 5.974 3.998 ( -5.864 -0.284 -5.636) 8.138 4.261 ( -2.151 2.516 6.163) 6.996 4.707 ( 1.827 -3.810 -25.087) 25.440 4.933 ( 2.849 5.672 -18.821) 19.863 5.116 ( -0.492 -1.965 -20.351) 20.451 5.351 ( 2.400 1.999 0.659) 3.192 5.481 ( 4.982 2.741 -3.134) 6.493 5.838 ( 12.263 5.288 8.616) 15.893 5.981 ( 6.364 -5.651 3.761) 9.305 6.106 ( -6.515 -1.699 10.264) 12.276 6.257 ( 11.841 2.542 -2.032) 12.280 6.402 ( 5.972 -8.821 -0.417) 10.660 6.497 ( 0.239 -0.829 14.194) 14.220 6.714 ( -3.856 4.158 7.168) 9.140 6.806 ( -8.715 0.095 7.079) 11.228 7.042 ( -13.386 0.586 4.063) 14.001 7.310 ( -0.262 -2.422 -0.636) 2.518 7.418 ( 0.453 0.003 2.069) 2.118 8.293 ( 0.201 3.018 -0.210) 3.032 8.310 ( 0.265 1.657 -2.504) 3.014 8.412 ( -3.583 -1.425 -0.148) 3.859 8.528 ( 3.855 2.406 3.154) 5.531 8.895 ( -0.509 1.027 -3.482) 3.665 8.997 ( -2.907 -1.514 -0.625) 3.337 9.446 ( -6.286 -3.191 -6.761) 9.768 9.687 ( -3.345 0.296 5.989) 6.867 13.376 ( 3.256 0.660 -1.037) 3.480 13.777 ( 0.944 1.478 16.951) 17.042 14.414 ( -4.884 -3.796 -6.547) 9.007 14.713 ( 2.330 1.467 8.592) 9.023 ======================= Grid point 80 (73/135) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 24.141 0.000 -0.000) 24.141 1.132 ( 26.495 0.000 -0.000) 26.495 1.988 ( 40.725 0.000 -0.000) 40.725 3.083 ( 1.488 0.000 -0.000) 1.488 3.087 ( -3.890 -0.000 0.000) 3.890 3.294 ( -7.212 -0.000 0.000) 7.212 3.706 ( -4.459 -0.000 0.000) 4.459 4.196 ( -3.064 -0.000 0.000) 3.064 4.275 ( -0.423 -0.000 0.000) 0.423 4.497 ( 2.076 0.000 -0.000) 2.076 4.561 ( 20.569 0.000 -0.000) 20.569 4.601 ( 27.374 0.000 -0.000) 27.374 4.838 ( -11.767 -0.000 0.000) 11.767 5.337 ( -0.022 -0.000 0.000) 0.022 5.430 ( -14.045 -0.000 0.000) 14.045 6.226 ( -1.905 -0.000 0.000) 1.905 6.542 ( 11.370 0.000 -0.000) 11.370 6.869 ( 2.743 0.000 -0.000) 2.743 6.890 ( 4.807 0.000 -0.000) 4.807 7.130 ( 2.214 0.000 -0.000) 2.214 7.372 ( -5.017 -0.000 0.000) 5.017 7.826 ( -10.989 -0.000 0.000) 10.989 7.986 ( -5.271 -0.000 0.000) 5.271 8.008 ( -9.100 -0.000 0.000) 9.100 8.404 ( -6.580 -0.000 0.000) 6.580 8.424 ( -5.439 -0.000 0.000) 5.439 8.645 ( -3.354 -0.000 0.000) 3.354 8.703 ( -7.757 -0.000 0.000) 7.757 8.805 ( 1.541 0.000 -0.000) 1.541 8.892 ( -1.639 -0.000 0.000) 1.639 9.083 ( 3.361 0.000 -0.000) 3.361 9.620 ( -2.450 -0.000 0.000) 2.450 12.919 ( 15.660 0.000 -0.000) 15.660 14.099 ( 3.620 0.000 -0.000) 3.620 14.226 ( -5.788 -0.000 0.000) 5.788 15.929 ( -7.061 -0.000 0.000) 7.061 ======================= Grid point 81 (74/135) ======================= q-point: ( 0.49 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -0.000 10.574 13.014) 16.768 2.199 ( -0.000 14.559 14.243) 20.367 2.400 ( 0.000 -6.941 -9.624) 11.866 2.610 ( 0.000 -3.364 -12.560) 13.003 2.960 ( -0.000 2.727 2.253) 3.537 3.175 ( -0.000 2.375 -5.163) 5.683 3.694 ( 0.000 -9.951 1.385) 10.047 3.849 ( -0.000 2.495 -0.312) 2.514 4.557 ( -0.000 1.279 3.461) 3.690 4.637 ( -0.000 0.925 -1.002) 1.363 4.788 ( 0.000 -7.142 32.601) 33.375 5.099 ( 0.000 -3.091 24.231) 24.427 5.331 ( 0.000 -0.676 22.581) 22.591 5.576 ( -0.000 1.907 -2.221) 2.927 5.590 ( -0.000 1.134 5.600) 5.714 5.936 ( 0.000 -2.197 -1.706) 2.781 6.238 ( -0.000 1.120 -18.245) 18.280 6.240 ( -0.000 3.645 3.210) 4.857 6.339 ( 0.000 -1.356 -13.887) 13.953 6.615 ( -0.000 1.350 -37.637) 37.662 7.118 ( 0.000 -10.249 0.212) 10.252 7.226 ( 0.000 -6.182 -1.665) 6.402 7.668 ( -0.000 6.383 8.900) 10.952 7.965 ( -0.000 0.830 -6.564) 6.616 8.378 ( -0.000 2.474 4.935) 5.521 8.586 ( -0.000 0.091 -3.743) 3.744 8.611 ( 0.000 -5.686 2.514) 6.217 8.710 ( 0.000 -4.989 3.397) 6.036 8.963 ( -0.000 1.352 -1.354) 1.914 9.058 ( -0.000 4.854 -5.974) 7.698 10.226 ( -0.000 13.727 11.606) 17.976 10.290 ( 0.000 -12.568 -5.519) 13.726 12.891 ( -0.000 3.019 11.263) 11.661 13.529 ( -0.000 3.670 -20.295) 20.625 14.382 ( 0.000 -7.239 6.817) 9.943 14.968 ( -0.000 8.323 -12.821) 15.286 ======================= Grid point 83 (75/135) ======================= q-point: (-0.32 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 3.507 3.103 4.466) 6.471 2.334 ( 7.693 -0.333 0.406) 7.711 2.813 ( -8.434 2.628 -2.631) 9.217 2.942 ( -1.662 -2.187 -1.497) 3.129 2.985 ( 1.167 0.522 0.794) 1.505 3.253 ( 3.529 -6.782 -2.304) 7.985 3.540 ( 1.497 2.864 13.401) 13.785 4.034 ( -4.599 -7.071 10.127) 13.180 4.173 ( 0.483 11.493 2.375) 11.746 4.317 ( -0.836 1.137 12.421) 12.501 4.535 ( 0.499 -0.142 -1.765) 1.840 5.211 ( 1.480 -7.370 2.263) 7.850 5.314 ( -4.164 -5.362 1.316) 6.916 5.909 ( -22.954 -2.018 -1.690) 23.105 5.989 ( -15.296 3.346 2.998) 15.942 6.142 ( -20.932 2.480 -0.599) 21.087 6.493 ( 9.146 3.823 -0.114) 9.914 6.506 ( 20.995 -2.765 -1.697) 21.244 6.922 ( 16.178 7.271 -1.375) 17.790 7.019 ( 0.488 0.047 -5.562) 5.584 7.057 ( 0.587 0.406 -4.353) 4.411 7.336 ( -1.969 -0.686 -2.101) 2.960 7.464 ( -8.447 -4.554 -0.993) 9.648 7.670 ( 5.109 0.431 -15.780) 16.592 8.121 ( -1.920 -0.042 3.004) 3.566 8.368 ( -0.044 -0.074 -3.160) 3.161 8.377 ( -4.999 -2.396 0.857) 5.610 8.512 ( -2.484 -2.153 0.172) 3.291 8.773 ( -0.640 1.571 2.388) 2.929 8.916 ( 12.319 0.679 5.118) 13.357 9.245 ( 2.249 2.358 3.427) 4.729 9.876 ( 7.895 -0.258 -2.566) 8.306 13.447 ( -7.946 -1.022 -1.774) 8.205 14.226 ( 5.324 1.630 -3.167) 6.406 14.473 ( 14.432 -6.844 -5.774) 16.984 15.096 ( -12.309 5.745 -7.046) 15.302 ======================= Grid point 84 (76/135) ======================= q-point: ( 0.28 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 6.021 5.335 1.310) 8.150 2.441 ( 7.352 -1.786 3.826) 8.478 2.611 ( 3.562 1.171 -0.235) 3.757 2.679 ( 5.341 -6.013 -1.241) 8.137 2.973 ( -1.376 4.827 1.370) 5.203 3.077 ( -2.397 -5.834 -2.027) 6.624 4.250 ( -7.931 1.787 0.275) 8.134 4.270 ( -7.183 0.031 -0.901) 7.240 4.868 ( 18.431 5.392 -7.326) 20.553 4.945 ( 18.070 -3.131 6.531) 19.468 5.293 ( 1.293 4.048 -7.229) 8.386 5.375 ( 0.297 -4.273 3.499) 5.530 5.551 ( -1.104 3.318 -3.652) 5.056 5.596 ( 2.236 -1.171 5.574) 6.119 5.836 ( 1.955 0.977 -11.704) 11.907 5.871 ( 2.667 -2.531 14.978) 15.423 6.112 ( 7.661 4.257 8.826) 12.438 6.169 ( 10.296 -0.700 -9.915) 14.311 6.302 ( 2.293 2.366 3.153) 4.560 6.422 ( 1.385 -8.360 -3.190) 9.055 7.162 ( -9.109 3.042 -1.993) 9.809 7.227 ( -5.327 -3.126 1.597) 6.379 7.390 ( -6.675 1.418 -4.077) 7.949 7.435 ( -7.299 -3.666 2.050) 8.421 8.323 ( -1.928 3.636 -0.622) 4.162 8.383 ( -1.274 -2.120 -1.804) 3.061 8.460 ( -2.943 4.076 0.983) 5.122 8.548 ( -6.121 -4.543 -0.543) 7.642 8.907 ( 0.654 8.382 -1.950) 8.631 9.049 ( -0.763 -6.516 1.514) 6.733 9.671 ( -8.748 5.526 7.123) 12.562 9.783 ( -13.245 -6.110 -4.786) 15.351 13.385 ( 5.460 2.230 -4.246) 7.267 13.423 ( 5.007 -1.389 5.860) 7.832 14.521 ( -0.423 6.737 5.092) 8.456 14.652 ( -3.347 -6.910 -5.227) 9.288 ======================= Grid point 86 (77/135) ======================= q-point: ( 0.48 -0.23 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -6.375 12.527 11.168) 17.952 1.941 ( -6.181 17.445 13.565) 22.947 2.517 ( 0.212 0.404 -1.374) 1.448 2.847 ( -0.717 -0.522 -6.708) 6.767 3.021 ( -5.147 5.429 -4.403) 8.680 3.222 ( 3.528 1.918 -1.930) 4.455 3.805 ( -10.611 -10.696 3.082) 15.379 4.023 ( -15.907 -3.086 3.944) 16.677 4.147 ( -11.969 2.730 21.571) 24.820 4.534 ( 3.652 -3.725 5.606) 7.658 4.622 ( 3.254 -4.501 7.030) 8.959 4.643 ( 1.903 -2.107 6.399) 7.001 4.793 ( 4.364 -0.421 20.527) 20.990 5.501 ( -0.295 0.195 3.178) 3.198 5.644 ( -1.646 -0.039 -1.549) 2.260 5.917 ( -0.440 -5.665 2.959) 6.406 6.216 ( -1.942 0.598 1.093) 2.307 6.587 ( -0.910 1.731 -13.301) 13.444 6.614 ( -2.918 0.135 -9.878) 10.301 7.157 ( 0.032 -7.380 -1.742) 7.583 7.175 ( -0.076 -11.355 -0.346) 11.360 7.401 ( 2.377 2.695 -30.580) 30.791 7.520 ( -2.091 3.967 5.523) 7.114 8.027 ( 6.234 0.917 -5.507) 8.369 8.291 ( 1.672 2.145 1.093) 2.931 8.487 ( 4.613 -5.161 3.845) 7.918 8.584 ( 1.149 -5.589 0.916) 5.779 8.726 ( -0.761 -1.341 -1.071) 1.878 8.866 ( 9.507 2.555 -0.404) 9.852 9.177 ( -0.417 3.131 -1.856) 3.664 9.876 ( 6.482 11.509 14.339) 19.495 10.299 ( 7.202 -4.398 -3.318) 9.067 12.780 ( -8.542 1.142 6.535) 10.816 13.989 ( -1.750 7.326 -19.738) 21.127 14.319 ( -5.290 -3.872 3.472) 7.418 15.201 ( 6.483 4.780 -14.444) 16.538 ======================= Grid point 88 (78/135) ======================= q-point: (-0.32 0.32 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 16.629 -2.901 -0.000) 16.880 2.110 ( 14.548 -4.682 -0.000) 15.283 2.888 ( 5.305 2.086 -0.000) 5.701 2.985 ( -0.335 -2.065 0.000) 2.092 3.007 ( -4.429 0.008 0.000) 4.429 3.248 ( 1.061 -8.709 -0.000) 8.774 3.423 ( -5.462 6.117 0.000) 8.200 4.028 ( -5.127 -3.075 0.000) 5.978 4.197 ( -0.951 2.138 0.000) 2.340 4.199 ( -6.513 16.068 0.000) 17.338 4.551 ( 0.312 -1.338 -0.000) 1.374 5.177 ( -1.507 -15.066 0.000) 15.141 5.350 ( -1.254 -4.899 0.000) 5.057 5.838 ( 32.576 3.230 -0.000) 32.736 5.886 ( 23.707 4.113 -0.000) 24.061 6.112 ( 4.423 0.282 -0.000) 4.432 6.658 ( -22.528 -5.490 0.000) 23.188 6.675 ( -22.344 2.015 0.000) 22.435 6.787 ( 0.547 13.646 -0.000) 13.657 7.018 ( 1.233 -1.919 -0.000) 2.281 7.123 ( -0.955 -1.386 0.000) 1.683 7.477 ( -3.000 4.648 0.000) 5.532 7.690 ( -10.141 -4.057 0.000) 10.922 7.756 ( 1.355 -0.387 -0.000) 1.409 8.132 ( -3.463 2.615 0.000) 4.340 8.429 ( -2.821 1.001 0.000) 2.993 8.455 ( -1.027 -1.618 0.000) 1.916 8.581 ( 6.099 -0.251 -0.000) 6.104 8.606 ( -6.569 0.857 0.000) 6.625 8.811 ( -1.600 -1.008 0.000) 1.891 9.174 ( 2.621 2.051 -0.000) 3.328 9.769 ( 4.155 -4.498 -0.000) 6.124 13.530 ( 5.407 -0.554 -0.000) 5.436 14.092 ( 3.076 0.094 -0.000) 3.078 14.365 ( 6.147 -9.976 -0.000) 11.718 15.432 ( -11.596 9.147 0.000) 14.770 ======================= Grid point 90 (79/135) ======================= q-point: (-0.12 -0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -0.000 0.000 -23.285) 23.285 1.041 ( -0.000 0.000 -23.938) 23.938 1.888 ( -0.000 0.000 -35.613) 35.613 2.982 ( 0.000 -0.000 1.480) 1.480 3.020 ( 0.000 -0.000 6.690) 6.690 3.282 ( 0.000 -0.000 8.452) 8.452 3.816 ( 0.000 -0.000 3.491) 3.491 4.012 ( 0.000 -0.000 1.608) 1.608 4.289 ( -0.000 0.000 -24.188) 24.188 4.491 ( -0.000 0.000 -0.576) 0.576 4.728 ( -0.000 0.000 -15.230) 15.230 4.902 ( -0.000 0.000 -23.051) 23.051 4.988 ( -0.000 0.000 -1.119) 1.119 5.515 ( -0.000 0.000 -5.279) 5.279 5.855 ( 0.000 -0.000 2.756) 2.756 5.931 ( 0.000 -0.000 2.157) 2.157 6.028 ( 0.000 -0.000 9.905) 9.905 6.528 ( 0.000 -0.000 12.893) 12.893 6.784 ( 0.000 -0.000 4.215) 4.215 7.048 ( -0.000 0.000 -1.429) 1.429 7.210 ( 0.000 -0.000 11.993) 11.993 7.253 ( 0.000 -0.000 24.451) 24.451 7.984 ( 0.000 -0.000 1.947) 1.947 8.129 ( -0.000 0.000 -2.982) 2.982 8.540 ( 0.000 -0.000 7.360) 7.360 8.587 ( 0.000 -0.000 1.090) 1.090 8.744 ( 0.000 -0.000 4.920) 4.920 8.750 ( -0.000 0.000 -1.903) 1.903 8.877 ( -0.000 0.000 -1.647) 1.647 8.932 ( -0.000 0.000 -0.428) 0.428 9.273 ( -0.000 0.000 -11.929) 11.929 11.111 ( 0.000 -0.000 6.061) 6.061 12.661 ( -0.000 0.000 -5.699) 5.699 13.804 ( 0.000 -0.000 9.434) 9.434 14.324 ( 0.000 -0.000 1.623) 1.623 14.401 ( -0.000 0.000 -8.476) 8.476 ======================= Grid point 91 (80/135) ======================= q-point: ( 0.47 -0.35 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -11.014 15.194 7.985) 20.394 1.987 ( -15.548 16.709 4.382) 23.241 2.510 ( -0.810 3.398 0.873) 3.600 2.929 ( -0.586 -0.319 -1.463) 1.608 3.135 ( 5.050 -2.557 0.051) 5.661 3.274 ( -5.353 4.752 -6.285) 9.526 3.662 ( -2.425 -1.695 14.027) 14.336 4.167 ( 1.986 -5.702 10.902) 12.462 4.298 ( -10.082 -6.923 3.596) 12.748 4.327 ( 2.937 -0.862 11.475) 11.876 4.474 ( -6.672 -1.975 1.399) 7.098 4.562 ( -27.762 0.195 -0.899) 27.777 4.630 ( 1.040 -0.843 -0.678) 1.500 5.481 ( -2.712 -0.700 1.293) 3.085 5.684 ( 1.157 -2.978 -0.857) 3.308 5.860 ( -2.034 -3.944 3.436) 5.612 6.262 ( -3.543 0.309 0.237) 3.564 6.836 ( -2.123 -1.124 -4.231) 4.865 6.883 ( -4.328 2.095 -10.461) 11.514 7.068 ( 1.976 -3.923 -0.079) 4.393 7.304 ( -5.363 -13.157 -2.200) 14.377 7.429 ( 0.119 0.213 6.587) 6.592 7.855 ( 8.933 3.419 -13.428) 16.486 7.976 ( 12.429 3.627 -12.201) 17.790 8.225 ( 4.519 -1.166 1.201) 4.819 8.317 ( 2.381 -4.050 3.909) 6.112 8.538 ( 6.451 -3.811 -3.630) 8.326 8.645 ( 5.763 -1.380 0.621) 5.958 8.744 ( 0.725 0.581 0.715) 1.172 9.165 ( 1.847 4.129 0.064) 4.523 9.401 ( 8.481 7.905 14.154) 18.296 10.192 ( 8.760 4.147 -2.426) 9.991 12.946 ( -14.513 -0.804 1.500) 14.612 14.305 ( -0.415 2.302 -5.370) 5.857 14.481 ( -8.476 6.859 -5.254) 12.103 15.269 ( 13.655 -5.592 -10.460) 18.087 ======================= Grid point 95 (81/135) ======================= q-point: (-0.13 -0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -8.037 0.000 -20.087) 21.635 1.655 ( -13.170 0.000 -18.108) 22.391 2.552 ( -3.577 0.000 -19.049) 19.382 2.827 ( 2.520 -0.000 7.655) 8.059 2.984 ( -3.444 -0.000 0.030) 3.444 3.093 ( -1.395 -0.000 9.694) 9.794 3.880 ( -14.707 -0.000 5.803) 15.810 4.123 ( -14.303 -0.000 1.443) 14.376 4.482 ( 2.000 0.000 -1.292) 2.381 4.710 ( 7.929 0.000 3.672) 8.738 4.935 ( -0.476 0.000 -33.987) 33.990 5.297 ( 1.412 0.000 -22.370) 22.415 5.416 ( 1.778 0.000 -25.556) 25.617 5.556 ( 4.357 0.000 -0.797) 4.429 5.613 ( 9.255 0.000 1.062) 9.316 5.866 ( -5.997 -0.000 9.000) 10.815 6.073 ( -11.030 -0.000 4.335) 11.851 6.171 ( 1.419 -0.000 18.349) 18.403 6.430 ( -1.772 -0.000 30.381) 30.432 6.835 ( 3.501 -0.000 14.064) 14.493 6.979 ( -3.526 -0.000 3.240) 4.788 7.185 ( -9.349 -0.000 3.719) 10.062 7.886 ( 8.067 0.000 -0.203) 8.069 8.112 ( 10.916 0.000 -1.019) 10.963 8.369 ( -1.110 -0.000 2.493) 2.729 8.528 ( 6.749 0.000 3.514) 7.609 8.545 ( 2.444 0.000 1.512) 2.874 8.759 ( 0.176 -0.000 5.743) 5.745 8.958 ( -0.758 -0.000 0.873) 1.156 8.990 ( -4.173 0.000 -4.354) 6.031 9.487 ( 4.382 0.000 -12.905) 13.629 10.767 ( 16.999 0.000 3.914) 17.444 12.894 ( -5.059 0.000 -10.644) 11.785 13.550 ( 0.976 -0.000 11.053) 11.096 14.276 ( 0.718 -0.000 1.106) 1.318 14.736 ( -10.095 -0.000 -3.361) 10.640 ======================= Grid point 96 (82/135) ======================= q-point: ( 0.47 -0.47 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -11.683 12.765 0.000) 17.304 2.238 ( -9.311 14.791 0.000) 17.478 2.585 ( -8.810 -2.947 0.000) 9.290 2.968 ( -1.825 -1.171 0.000) 2.169 3.054 ( 2.995 -3.588 -0.000) 4.674 3.390 ( 6.951 0.074 -0.000) 6.952 3.488 ( -3.216 0.758 0.000) 3.304 4.001 ( -0.321 -7.893 0.000) 7.900 4.110 ( 13.241 3.227 -0.000) 13.628 4.164 ( 0.993 0.779 -0.000) 1.262 4.600 ( 1.595 -0.738 -0.000) 1.758 5.003 ( -29.060 -3.861 0.000) 29.315 5.154 ( -24.461 -3.140 0.000) 24.662 5.577 ( -9.554 1.508 0.000) 9.673 5.663 ( -2.836 -2.802 0.000) 3.987 5.895 ( -4.639 -0.418 0.000) 4.658 6.335 ( -3.367 2.248 0.000) 4.048 6.837 ( 5.122 -2.390 -0.000) 5.652 7.101 ( -2.796 -1.542 0.000) 3.193 7.195 ( -5.080 1.424 0.000) 5.276 7.197 ( 8.366 1.243 -0.000) 8.458 7.424 ( 3.693 -10.102 -0.000) 10.756 7.535 ( 18.018 -0.205 -0.000) 18.020 7.992 ( 8.682 1.368 -0.000) 8.789 8.092 ( 1.925 -1.269 -0.000) 2.306 8.301 ( -3.884 -2.101 0.000) 4.416 8.476 ( 4.701 -0.309 -0.000) 4.711 8.592 ( 2.575 -3.477 -0.000) 4.326 8.713 ( 0.663 1.874 -0.000) 1.988 9.013 ( 9.369 4.115 -0.000) 10.233 9.171 ( 0.110 3.619 -0.000) 3.621 10.040 ( 8.445 4.731 -0.000) 9.679 13.244 ( -14.650 -1.687 0.000) 14.747 14.308 ( 4.568 3.716 -0.000) 5.889 14.723 ( -6.545 12.458 0.000) 14.073 15.100 ( 10.993 -14.190 -0.000) 17.950 ======================= Grid point 99 (83/135) ======================= q-point: ( 0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -0.000 22.423 10.798) 24.888 1.171 ( -0.000 19.731 18.645) 27.147 1.986 ( -0.000 37.481 13.074) 39.696 2.974 ( 0.000 -1.376 -2.080) 2.494 3.022 ( 0.000 -4.120 -3.851) 5.639 3.312 ( 0.000 -1.813 -3.094) 3.587 3.731 ( 0.000 -10.818 12.357) 16.423 3.873 ( 0.000 -8.696 -0.417) 8.706 3.873 ( -0.000 0.283 -0.785) 0.834 4.294 ( 0.000 -3.807 12.310) 12.885 4.461 ( 0.000 -0.382 13.615) 13.620 4.666 ( -0.000 5.006 -1.072) 5.119 4.882 ( 0.000 -12.176 -4.622) 13.023 5.412 ( -0.000 0.545 3.407) 3.450 5.774 ( 0.000 -6.110 -4.389) 7.523 5.962 ( 0.000 -7.971 2.916) 8.487 6.152 ( -0.000 4.974 -1.310) 5.143 6.742 ( -0.000 1.576 -6.349) 6.541 6.817 ( 0.000 -1.886 -7.618) 7.848 7.177 ( -0.000 7.266 1.396) 7.399 7.266 ( 0.000 -5.619 4.268) 7.056 7.571 ( 0.000 -19.385 -0.608) 19.395 7.920 ( -0.000 6.360 -20.680) 21.636 8.195 ( -0.000 1.407 -3.812) 4.064 8.302 ( 0.000 -3.742 -1.021) 3.879 8.527 ( 0.000 -7.843 8.012) 11.212 8.683 ( 0.000 -2.534 -3.098) 4.002 8.731 ( -0.000 2.398 -1.739) 2.962 8.981 ( -0.000 1.988 -0.670) 2.098 9.084 ( -0.000 5.482 1.472) 5.676 9.386 ( -0.000 12.682 14.458) 19.232 10.478 ( 0.000 -6.100 5.859) 8.458 12.567 ( 0.000 -0.691 3.001) 3.079 14.125 ( -0.000 10.018 -10.286) 14.358 14.221 ( 0.000 -1.868 3.611) 4.066 15.570 ( -0.000 9.950 -28.099) 29.809 ======================= Grid point 100 (84/135) ======================= q-point: (-0.14 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -6.201 0.000 -9.347) 11.216 2.222 ( -10.829 0.000 -11.120) 15.522 2.705 ( 4.659 0.000 -1.761) 4.981 2.723 ( -3.913 -0.000 0.177) 3.917 2.938 ( -1.556 -0.000 7.718) 7.873 3.189 ( -4.054 0.000 -5.862) 7.127 4.118 ( -18.172 -0.000 5.363) 18.947 4.416 ( 11.127 0.000 4.067) 11.847 4.419 ( -5.308 -0.000 3.740) 6.494 4.537 ( -19.661 -0.000 -0.303) 19.664 5.336 ( 4.818 -0.000 10.559) 11.606 5.454 ( 5.015 0.000 -1.855) 5.347 5.556 ( 2.813 -0.000 6.673) 7.242 5.564 ( -3.275 -0.000 -2.839) 4.334 5.770 ( 2.690 -0.000 9.659) 10.026 5.874 ( -1.512 0.000 -22.001) 22.053 5.950 ( -3.526 0.000 -9.258) 9.907 6.018 ( -4.896 -0.000 0.092) 4.897 6.211 ( -8.569 -0.000 0.080) 8.569 6.543 ( -2.659 -0.000 9.430) 9.798 7.064 ( -7.441 -0.000 0.673) 7.472 7.254 ( -7.321 -0.000 7.268) 10.316 7.629 ( 19.206 0.000 -2.046) 19.314 7.830 ( 11.140 0.000 1.994) 11.317 8.340 ( 4.978 0.000 2.417) 5.534 8.374 ( 4.749 0.000 1.619) 5.017 8.510 ( -2.631 0.000 -3.015) 4.001 8.583 ( 2.659 -0.000 6.823) 7.323 8.864 ( 6.088 0.000 2.796) 6.699 9.142 ( -2.209 0.000 -2.973) 3.704 9.656 ( 5.132 0.000 -12.189) 13.225 10.306 ( 18.597 0.000 5.190) 19.308 13.277 ( -4.551 0.000 -15.194) 15.861 13.347 ( -2.653 -0.000 8.926) 9.312 14.301 ( -3.223 -0.000 -2.197) 3.900 14.862 ( 1.396 0.000 -0.370) 1.444 ======================= Grid point 104 (85/135) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -11.884 21.701 0.000) 24.742 1.222 ( -16.945 21.962 0.000) 27.740 1.987 ( -13.402 34.559 0.000) 37.067 3.029 ( 0.943 -5.304 -0.000) 5.387 3.073 ( -4.633 2.970 0.000) 5.503 3.298 ( 4.189 -3.145 -0.000) 5.239 3.608 ( -0.090 -9.748 0.000) 9.748 4.028 ( -14.371 -8.590 0.000) 16.743 4.057 ( -14.455 -0.283 0.000) 14.458 4.166 ( -2.867 -3.296 0.000) 4.368 4.282 ( 2.550 -1.043 -0.000) 2.755 4.661 ( 1.531 4.667 -0.000) 4.912 4.813 ( 11.377 -12.133 -0.000) 16.633 5.387 ( -1.826 2.228 0.000) 2.880 5.808 ( 4.531 -1.193 -0.000) 4.685 5.917 ( -0.979 -11.946 0.000) 11.986 6.222 ( -4.977 -0.058 0.000) 4.977 6.864 ( -4.377 2.161 0.000) 4.881 6.904 ( 0.258 0.013 -0.000) 0.259 7.194 ( 0.376 -8.731 -0.000) 8.739 7.196 ( -2.976 6.564 0.000) 7.207 7.603 ( -1.454 -19.073 0.000) 19.129 8.076 ( 4.979 3.729 -0.000) 6.220 8.265 ( 2.348 -6.410 -0.000) 6.826 8.292 ( 1.567 5.789 -0.000) 5.998 8.385 ( 1.684 -5.828 -0.000) 6.066 8.735 ( 1.716 2.666 -0.000) 3.171 8.738 ( 1.455 -1.578 -0.000) 2.146 8.839 ( 11.560 1.196 -0.000) 11.622 9.079 ( -0.807 5.987 0.000) 6.041 9.143 ( 3.082 10.107 -0.000) 10.567 10.269 ( 9.926 7.488 -0.000) 12.433 12.672 ( -11.552 -1.402 0.000) 11.637 14.253 ( -1.576 9.436 0.000) 9.567 14.280 ( -7.030 -0.798 0.000) 7.075 15.831 ( 11.398 -6.922 -0.000) 13.335 ======================= Grid point 105 (86/135) ======================= q-point: (-0.15 -0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( -6.756 -0.000 -1.173) 6.857 2.482 ( -1.068 -0.000 1.936) 2.211 2.691 ( -0.114 0.000 -6.620) 6.621 2.784 ( -1.101 -0.000 5.046) 5.165 2.969 ( -3.650 0.000 -6.461) 7.421 3.231 ( 5.392 0.000 -0.505) 5.415 4.131 ( 7.895 0.000 4.094) 8.893 4.211 ( 3.656 0.000 0.522) 3.693 4.445 ( -18.139 -0.000 15.367) 23.773 4.930 ( 3.844 -0.000 17.549) 17.965 5.088 ( -28.383 -0.000 -2.093) 28.460 5.139 ( -0.673 -0.000 22.737) 22.747 5.316 ( -0.511 -0.000 4.412) 4.441 5.517 ( 7.316 0.000 6.352) 9.689 5.703 ( -23.592 -0.000 6.677) 24.519 6.103 ( -4.641 -0.000 2.347) 5.201 6.289 ( 2.277 0.000 -17.092) 17.243 6.473 ( -2.131 0.000 -14.687) 14.841 6.551 ( -4.801 -0.000 0.085) 4.802 6.618 ( -1.359 0.000 -31.306) 31.336 7.089 ( 9.822 0.000 5.595) 11.304 7.235 ( -10.420 -0.000 0.806) 10.451 7.327 ( 13.827 0.000 -1.504) 13.909 7.557 ( 12.672 0.000 0.934) 12.706 8.226 ( 2.821 0.000 2.806) 3.979 8.247 ( 1.688 0.000 -0.535) 1.771 8.416 ( 1.005 -0.000 4.275) 4.392 8.565 ( 3.657 0.000 2.239) 4.289 8.733 ( -1.343 0.000 -1.379) 1.925 9.183 ( 2.672 0.000 -0.832) 2.799 9.776 ( 5.937 0.000 -9.262) 11.001 9.800 ( 16.604 0.000 7.769) 18.331 13.300 ( -5.194 -0.000 3.173) 6.087 13.679 ( -0.095 0.000 -17.289) 17.290 14.529 ( -9.378 -0.000 -7.129) 11.780 14.722 ( 10.507 0.000 1.254) 10.581 ======================= Grid point 108 (87/135) ======================= q-point: (-0.35 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.000 -6.039 -17.096) 18.132 2.023 ( 0.000 -7.718 -14.046) 16.026 2.591 ( -0.000 10.426 3.979) 11.160 2.698 ( -0.000 9.780 11.261) 14.915 2.979 ( 0.000 -3.849 2.788) 4.753 2.980 ( 0.000 -4.390 -12.001) 12.779 3.626 ( 0.000 -4.754 5.784) 7.487 3.910 ( -0.000 2.105 1.642) 2.670 4.539 ( 0.000 -2.233 0.049) 2.233 4.687 ( -0.000 3.292 2.109) 3.910 5.401 ( -0.000 3.632 19.108) 19.450 5.607 ( -0.000 4.119 -2.263) 4.700 5.649 ( 0.000 -1.353 25.453) 25.489 5.720 ( -0.000 -0.829 -29.164) 29.176 5.736 ( 0.000 0.281 19.657) 19.659 5.797 ( 0.000 -2.643 17.510) 17.708 5.807 ( -0.000 3.107 -26.905) 27.084 5.890 ( -0.000 1.606 -16.399) 16.477 6.015 ( 0.000 -5.452 -12.252) 13.410 6.467 ( -0.000 4.843 12.362) 13.277 6.984 ( 0.000 -8.248 3.413) 8.927 7.094 ( 0.000 -6.393 1.505) 6.568 7.926 ( -0.000 6.647 -4.242) 7.886 8.031 ( -0.000 9.339 9.821) 13.553 8.450 ( -0.000 -0.526 -8.226) 8.243 8.503 ( -0.000 0.546 3.502) 3.545 8.572 ( 0.000 -6.039 4.770) 7.695 8.698 ( 0.000 -5.557 5.109) 7.548 8.957 ( -0.000 0.677 -0.949) 1.165 9.013 ( -0.000 3.994 -5.856) 7.089 9.901 ( 0.000 -10.067 -10.619) 14.632 10.666 ( -0.000 9.150 9.721) 13.350 13.153 ( -0.000 0.867 -17.964) 17.985 13.231 ( -0.000 4.627 13.314) 14.095 14.345 ( 0.000 -9.945 4.845) 11.062 14.818 ( -0.000 3.522 -11.720) 12.237 ======================= Grid point 110 (88/135) ======================= q-point: (-0.15 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( 6.872 0.000 2.379) 7.272 2.375 ( 2.030 -0.000 4.929) 5.331 2.769 ( -2.342 0.000 -2.972) 3.784 2.867 ( -4.043 -0.000 -3.514) 5.357 3.075 ( 6.428 0.000 1.951) 6.718 3.102 ( -0.295 0.000 -2.697) 2.713 3.884 ( 0.964 -0.000 11.959) 11.998 4.127 ( -1.827 -0.000 3.934) 4.338 4.401 ( -9.194 -0.000 13.221) 16.103 4.583 ( 1.321 -0.000 7.626) 7.739 4.694 ( -1.354 -0.000 20.539) 20.584 5.231 ( 7.713 0.000 5.447) 9.442 5.290 ( -3.072 -0.000 1.394) 3.373 5.790 ( -28.229 -0.000 -6.028) 28.866 6.110 ( -9.108 -0.000 3.880) 9.900 6.189 ( -25.336 -0.000 2.083) 25.421 6.395 ( 20.897 0.000 -6.941) 22.019 6.500 ( 15.756 0.000 -0.757) 15.774 6.787 ( -1.364 0.000 -11.907) 11.985 6.927 ( 3.362 0.000 -9.127) 9.726 7.027 ( 10.750 0.000 0.108) 10.751 7.236 ( -0.072 0.000 -23.900) 23.900 7.333 ( 4.492 0.000 2.887) 5.340 7.434 ( -10.930 -0.000 1.463) 11.028 8.163 ( -1.452 -0.000 1.833) 2.339 8.296 ( -1.881 0.000 -3.070) 3.601 8.381 ( -3.348 -0.000 1.293) 3.589 8.495 ( -2.050 -0.000 0.051) 2.051 8.826 ( -5.370 -0.000 1.654) 5.619 9.015 ( 13.469 0.000 2.738) 13.744 9.383 ( 6.303 -0.000 6.723) 9.216 9.794 ( 6.668 0.000 -4.665) 8.138 13.397 ( -4.161 -0.000 -2.165) 4.691 13.992 ( 2.862 0.000 -14.674) 14.950 14.422 ( 13.899 0.000 2.309) 14.089 14.947 ( -11.605 -0.000 -10.716) 15.796 ======================= Grid point 111 (89/135) ======================= q-point: (-0.55 0.18 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 8.047 -6.287 -9.433) 13.902 2.311 ( 10.606 -4.483 -7.437) 13.707 2.604 ( 4.572 1.549 -0.009) 4.827 2.789 ( 1.842 2.489 6.244) 6.970 2.981 ( -2.097 -2.036 1.628) 3.346 3.139 ( -0.274 3.734 3.624) 5.210 4.184 ( -9.798 0.304 -3.285) 10.339 4.364 ( -5.193 -1.927 4.780) 7.316 4.655 ( 3.523 4.953 -20.272) 21.164 4.936 ( 13.013 -2.030 -4.838) 14.031 5.109 ( 11.564 2.404 -9.584) 15.210 5.133 ( 0.655 2.109 -19.989) 20.110 5.349 ( 12.193 1.697 -12.427) 17.493 5.523 ( 7.900 -7.617 -2.125) 11.178 5.761 ( 5.205 -2.912 -0.517) 5.987 6.079 ( 4.230 0.026 0.077) 4.231 6.170 ( -2.701 -3.961 17.037) 17.698 6.324 ( 3.327 4.137 3.554) 6.388 6.506 ( 1.835 2.424 14.751) 15.061 6.635 ( 1.829 1.664 20.296) 20.446 7.147 ( -3.921 1.710 -1.949) 4.701 7.274 ( -12.889 -2.234 4.639) 13.880 7.417 ( -10.056 6.785 0.823) 12.159 7.482 ( -2.292 0.520 3.779) 4.450 8.324 ( -1.055 -0.303 -0.595) 1.248 8.396 ( -0.291 4.532 -0.530) 4.573 8.446 ( -5.493 -5.157 -0.015) 7.535 8.553 ( -3.413 4.322 -0.130) 5.508 8.950 ( -2.074 -7.552 2.168) 8.126 9.004 ( -0.400 7.143 -2.908) 7.723 9.508 ( -8.292 -7.550 -8.275) 13.937 9.859 ( -11.793 2.685 2.511) 12.353 13.260 ( 8.077 -0.620 -3.704) 8.907 13.665 ( 4.735 -3.870 15.618) 16.773 14.403 ( -3.378 -6.093 -5.010) 8.581 14.815 ( -1.134 6.898 9.251) 11.596 ======================= Grid point 113 (90/135) ======================= q-point: ( 0.64 -0.27 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -1.360 1.028 4.221) 4.552 2.328 ( -3.569 -3.551 -9.792) 11.011 2.481 ( -3.837 11.299 11.348) 16.468 2.685 ( -2.621 6.465 -10.125) 12.296 2.948 ( 0.658 -4.838 -1.819) 5.211 3.223 ( -1.543 2.915 -5.998) 6.845 3.673 ( -15.377 -8.734 5.062) 18.395 4.038 ( -15.533 -0.156 1.851) 15.643 4.482 ( 3.836 -3.627 3.253) 6.201 4.578 ( 5.542 -2.431 2.265) 6.462 4.876 ( -5.928 8.004 27.545) 29.290 5.055 ( 0.288 -1.248 23.887) 23.921 5.243 ( 5.597 -0.094 21.069) 21.800 5.557 ( 3.222 -1.606 4.040) 5.412 5.689 ( -2.162 2.714 1.193) 3.669 5.876 ( -2.756 -3.662 2.624) 5.281 6.269 ( -1.011 0.529 -15.438) 15.480 6.284 ( -3.669 -0.826 3.390) 5.064 6.395 ( -1.832 3.068 -15.852) 16.249 6.636 ( 1.011 1.701 -38.638) 38.688 6.976 ( -3.716 -6.552 1.122) 7.616 7.084 ( -2.038 -7.914 2.569) 8.567 7.782 ( 4.046 7.006 7.915) 11.318 7.961 ( 6.445 4.227 -5.219) 9.308 8.379 ( 2.607 0.816 3.515) 4.452 8.454 ( 4.625 -3.506 0.852) 5.866 8.534 ( 2.242 -4.060 3.276) 5.678 8.638 ( -0.103 -4.510 -1.791) 4.854 8.909 ( 5.616 2.512 -0.129) 6.153 9.158 ( -1.522 1.955 -3.947) 4.660 10.061 ( 4.949 -5.116 -9.575) 11.931 10.335 ( 8.787 7.194 11.819) 16.391 13.010 ( -5.130 3.120 10.833) 12.386 13.616 ( -1.990 2.345 -22.383) 22.593 14.293 ( -3.559 -5.552 2.304) 6.985 15.025 ( 4.615 3.328 -10.273) 11.743 ======================= Grid point 115 (91/135) ======================= q-point: (-0.16 0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 16.290 0.000 8.442) 18.347 2.083 ( 15.493 0.000 2.126) 15.638 2.870 ( 3.854 0.000 -3.925) 5.501 2.939 ( 0.579 0.000 -0.987) 1.144 3.026 ( -5.303 -0.000 0.642) 5.342 3.155 ( -0.371 0.000 -0.832) 0.911 3.627 ( -3.406 -0.000 12.093) 12.564 4.095 ( -6.909 -0.000 8.209) 10.730 4.355 ( -1.520 -0.000 12.621) 12.712 4.394 ( -7.324 -0.000 1.516) 7.479 4.525 ( 0.440 0.000 -0.577) 0.726 5.017 ( 3.254 0.000 2.620) 4.178 5.316 ( -2.028 -0.000 1.217) 2.365 5.865 ( 32.744 0.000 -1.277) 32.769 5.954 ( 31.787 0.000 2.021) 31.851 6.134 ( -3.492 -0.000 1.628) 3.853 6.480 ( -21.577 -0.000 -8.706) 23.268 6.743 ( -27.708 -0.000 2.390) 27.811 6.907 ( 6.862 0.000 -2.785) 7.406 7.026 ( 2.139 0.000 1.875) 2.844 7.028 ( -2.220 0.000 -7.003) 7.347 7.434 ( -6.423 0.000 -11.881) 13.506 7.551 ( -1.345 0.000 -4.015) 4.234 7.659 ( -6.776 -0.000 -5.869) 8.965 8.200 ( -5.200 -0.000 1.930) 5.546 8.401 ( -2.734 -0.000 -2.291) 3.567 8.470 ( -6.000 -0.000 1.912) 6.297 8.609 ( -7.495 -0.000 -0.278) 7.500 8.629 ( 12.249 0.000 3.641) 12.778 8.857 ( -4.088 -0.000 4.500) 6.079 9.221 ( 2.598 0.000 2.183) 3.394 9.715 ( 5.542 0.000 -0.297) 5.550 13.480 ( 5.227 0.000 -3.654) 6.377 14.129 ( 6.743 0.000 2.559) 7.212 14.171 ( 3.781 0.000 -8.305) 9.125 15.406 ( -10.871 -0.000 -9.897) 14.701 ======================= Grid point 118 (92/135) ======================= q-point: ( 0.64 -0.39 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -7.102 5.567 4.191) 9.950 2.391 ( -7.531 12.164 7.035) 15.943 2.492 ( -1.571 -1.678 -0.932) 2.481 2.873 ( 0.933 -0.273 -4.842) 4.939 3.080 ( -0.943 -1.383 -5.580) 5.826 3.262 ( 2.342 6.733 -1.764) 7.343 3.870 ( -12.050 -7.468 12.510) 18.907 4.200 ( -2.970 -4.905 4.721) 7.428 4.339 ( 4.855 -9.552 7.756) 13.228 4.548 ( -19.958 0.752 1.441) 20.024 4.613 ( -1.210 -0.219 14.113) 14.166 4.699 ( -1.978 4.864 15.063) 15.952 4.746 ( -12.390 5.766 11.804) 18.058 5.466 ( -0.597 -3.106 1.705) 3.593 5.610 ( 3.644 -6.896 3.507) 8.551 5.895 ( -5.228 1.103 2.836) 6.049 6.333 ( -7.623 2.964 1.246) 8.273 6.648 ( -1.487 1.619 -14.863) 15.025 6.714 ( -2.892 2.405 -9.835) 10.529 7.008 ( 0.645 -5.333 3.496) 6.409 7.074 ( -7.177 -7.036 0.034) 10.050 7.367 ( 4.371 1.359 -31.514) 31.845 7.571 ( 4.564 1.318 4.169) 6.320 7.878 ( 14.466 3.769 -6.218) 16.191 8.260 ( 4.507 0.928 2.140) 5.075 8.329 ( 2.336 -2.833 2.642) 4.524 8.403 ( 4.173 -5.509 0.548) 6.932 8.630 ( 4.509 -2.449 0.509) 5.157 8.773 ( 3.778 1.426 0.487) 4.067 9.213 ( 1.031 2.102 -1.068) 2.574 9.835 ( 12.549 5.417 13.636) 19.307 10.118 ( 7.749 0.029 -7.644) 10.885 13.016 ( -11.483 1.080 4.993) 12.568 14.088 ( 0.355 0.476 -17.488) 17.499 14.439 ( -10.020 0.569 -4.200) 10.879 15.033 ( 12.952 0.491 -7.551) 15.001 ======================= Grid point 119 (93/135) ======================= q-point: ( 0.23 -0.61 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -5.858 3.925 -6.410) 9.529 2.469 ( -4.327 1.396 -8.187) 9.365 2.675 ( -1.696 0.570 3.845) 4.241 2.828 ( -0.429 -2.999 5.324) 6.125 2.948 ( -0.275 1.053 -0.373) 1.150 3.127 ( 0.828 -1.326 5.198) 5.428 4.000 ( 6.070 -0.849 -5.236) 8.062 4.271 ( 3.080 1.666 6.456) 7.345 4.703 ( -1.514 -3.742 -25.381) 25.700 4.994 ( 1.929 0.392 -19.788) 19.885 5.111 ( 0.128 -2.239 -18.747) 18.880 5.337 ( -3.626 3.875 0.538) 5.334 5.486 ( -3.855 2.538 -2.277) 5.146 5.843 ( -16.697 2.498 2.590) 17.080 5.959 ( -7.940 -1.764 8.427) 11.712 6.069 ( 7.315 2.709 13.016) 15.175 6.228 ( -12.932 5.586 -6.547) 15.534 6.385 ( -3.389 -7.493 4.427) 9.340 6.515 ( 0.409 -2.822 12.469) 12.791 6.743 ( -8.677 0.355 12.615) 15.315 6.834 ( 22.495 -1.290 -2.880) 22.715 7.035 ( 11.291 0.271 8.492) 14.131 7.300 ( 0.847 -0.911 -1.305) 1.803 7.454 ( 1.902 -4.013 3.302) 5.534 8.305 ( 0.823 0.640 0.164) 1.055 8.346 ( 2.815 2.183 -3.431) 4.946 8.381 ( 1.216 -1.761 2.155) 3.037 8.567 ( -1.829 -1.431 4.114) 4.724 8.873 ( 2.332 3.005 -4.416) 5.828 9.000 ( 0.978 -1.369 -1.052) 1.984 9.401 ( 1.739 1.299 -7.040) 7.367 9.692 ( 4.159 -0.209 4.709) 6.286 13.380 ( -3.078 0.520 -1.215) 3.350 13.751 ( -3.260 3.844 16.446) 17.201 14.361 ( 0.069 1.759 -7.257) 7.468 14.771 ( 2.886 -4.444 9.392) 10.784 ======================= Grid point 120 (94/135) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 22.705 0.000 -0.000) 22.705 1.644 ( 23.250 0.000 -0.000) 23.250 2.653 ( 22.797 0.000 -0.000) 22.797 3.006 ( -3.638 -0.000 0.000) 3.638 3.119 ( 2.520 0.000 -0.000) 2.520 3.142 ( -7.279 -0.000 0.000) 7.279 3.599 ( -5.795 -0.000 0.000) 5.795 4.114 ( -4.969 -0.000 0.000) 4.969 4.248 ( -1.606 -0.000 0.000) 1.606 4.520 ( 0.942 0.000 -0.000) 0.942 4.592 ( -11.596 -0.000 0.000) 11.596 4.964 ( 8.971 0.000 -0.000) 8.971 5.250 ( 33.630 0.000 -0.000) 33.630 5.307 ( 12.479 0.000 -0.000) 12.479 5.329 ( -0.838 -0.000 0.000) 0.838 6.181 ( -2.616 -0.000 0.000) 2.616 6.764 ( 10.053 0.000 -0.000) 10.053 6.932 ( 3.246 0.000 -0.000) 3.246 6.942 ( -3.023 -0.000 0.000) 3.023 7.059 ( -10.646 -0.000 0.000) 10.646 7.210 ( -10.092 -0.000 0.000) 10.092 7.634 ( -5.673 -0.000 0.000) 5.673 7.806 ( -10.436 -0.000 0.000) 10.436 7.860 ( -6.895 -0.000 0.000) 6.895 8.272 ( -6.106 -0.000 0.000) 6.106 8.386 ( 2.619 0.000 -0.000) 2.619 8.547 ( -6.924 -0.000 0.000) 6.924 8.567 ( -3.935 -0.000 0.000) 3.935 8.795 ( -7.614 -0.000 0.000) 7.614 8.818 ( -0.193 -0.000 0.000) 0.193 9.147 ( 2.876 0.000 -0.000) 2.876 9.617 ( 2.499 0.000 -0.000) 2.499 13.266 ( 17.043 0.000 -0.000) 17.043 14.107 ( -4.983 -0.000 0.000) 4.983 14.179 ( 4.079 0.000 -0.000) 4.079 15.753 ( -10.113 -0.000 0.000) 10.113 ======================= Grid point 123 (95/135) ======================= q-point: ( 0.63 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -6.110 8.859 2.697) 11.095 2.442 ( 2.233 2.910 -0.423) 3.692 2.568 ( -12.887 3.857 1.046) 13.493 2.929 ( 0.177 -2.978 -1.972) 3.576 3.025 ( 2.666 2.565 2.864) 4.679 3.327 ( 2.757 -3.589 -4.360) 6.284 3.628 ( 4.323 1.611 12.754) 13.563 3.960 ( -0.575 -10.197 10.468) 14.625 4.230 ( 3.703 4.907 0.377) 6.159 4.305 ( -0.325 0.209 11.934) 11.941 4.550 ( 0.962 -0.826 -1.080) 1.666 5.043 ( -24.712 5.075 3.090) 25.416 5.106 ( -19.703 -1.921 0.996) 19.821 5.499 ( -4.751 -13.840 1.691) 14.730 5.573 ( -14.609 -1.230 0.804) 14.682 5.955 ( -5.298 3.170 1.494) 6.352 6.476 ( -6.381 8.844 0.007) 10.905 6.806 ( 6.702 -0.822 -0.189) 6.755 6.978 ( -1.099 -0.895 -9.030) 9.140 7.014 ( -3.431 -0.912 -6.736) 7.614 7.238 ( -6.542 -6.333 -0.475) 9.117 7.359 ( 4.531 -0.848 5.007) 6.806 7.539 ( 26.162 2.535 -2.632) 26.416 7.802 ( 7.549 0.712 -18.173) 19.691 8.119 ( 1.902 -0.836 2.740) 3.439 8.287 ( -3.284 -1.510 1.652) 3.974 8.399 ( 2.828 -0.910 -5.064) 5.871 8.517 ( 2.563 -2.817 0.357) 3.825 8.748 ( -0.601 0.389 0.675) 0.984 9.153 ( 7.740 2.667 2.323) 8.510 9.321 ( 6.926 3.033 9.892) 12.451 10.061 ( 9.644 1.629 -3.711) 10.460 13.223 ( -13.131 -0.543 0.567) 13.155 14.300 ( 2.085 -0.162 -5.927) 6.286 14.790 ( 4.560 4.455 -8.168) 10.361 14.869 ( 1.190 -3.403 -3.667) 5.142 ======================= Grid point 124 (96/135) ======================= q-point: ( 0.23 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 6.201 4.887 2.489) 8.279 2.569 ( 2.619 -1.426 -4.278) 5.214 2.645 ( 1.485 2.434 6.751) 7.328 2.718 ( -2.263 -4.515 -3.984) 6.432 2.988 ( 2.558 1.644 2.523) 3.951 3.033 ( -1.728 -2.979 -2.562) 4.293 4.118 ( -3.597 0.852 2.142) 4.273 4.133 ( -4.771 -0.565 -2.423) 5.380 5.129 ( 7.570 2.291 4.291) 8.998 5.175 ( 5.123 -2.502 -9.603) 11.168 5.284 ( -0.881 4.274 2.703) 5.134 5.346 ( -4.040 -1.904 1.874) 4.843 5.617 ( 5.351 4.607 0.481) 7.077 5.659 ( 1.645 0.561 -2.777) 3.276 5.876 ( 2.142 -0.575 -3.119) 3.827 5.905 ( 0.022 -3.321 7.119) 7.855 6.272 ( 6.355 3.483 -0.511) 7.265 6.334 ( -0.103 -2.457 1.033) 2.667 6.474 ( 16.312 -1.047 5.855) 17.363 6.515 ( 12.481 -3.988 -6.182) 14.488 6.842 ( -17.217 6.831 -4.452) 19.050 6.955 ( -19.767 -4.953 3.245) 20.634 7.344 ( 1.691 -0.145 0.693) 1.833 7.384 ( -1.656 -4.055 -1.549) 4.646 8.302 ( 0.196 3.211 -0.413) 3.244 8.335 ( -2.741 0.429 -0.842) 2.900 8.443 ( 0.640 0.793 4.339) 4.457 8.470 ( -1.913 -1.482 -4.424) 5.042 8.933 ( 2.439 4.062 0.619) 4.779 9.002 ( -3.536 -3.148 -0.321) 4.745 9.550 ( -2.618 0.968 6.870) 7.415 9.580 ( -5.861 -2.131 -5.849) 8.550 13.475 ( 2.948 2.109 -6.444) 7.393 13.492 ( 1.396 0.514 7.051) 7.206 14.528 ( 1.390 1.674 8.081) 8.369 14.579 ( -3.379 -3.550 -8.210) 9.562 ======================= Grid point 126 (97/135) ======================= q-point: ( 0.43 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -0.000 15.460 12.167) 19.673 1.878 ( -0.000 16.523 15.913) 22.940 2.521 ( -0.000 0.949 -1.687) 1.936 2.839 ( 0.000 -0.877 -8.555) 8.599 2.961 ( -0.000 6.534 -2.426) 6.970 3.261 ( -0.000 3.045 -3.245) 4.449 3.679 ( 0.000 -11.572 0.071) 11.572 3.851 ( 0.000 -1.339 1.389) 1.929 4.035 ( 0.000 -0.408 28.045) 28.048 4.566 ( 0.000 -2.849 11.666) 12.009 4.663 ( 0.000 -6.672 7.852) 10.304 4.664 ( 0.000 -1.189 -1.405) 1.840 4.845 ( 0.000 -0.484 21.812) 21.818 5.499 ( -0.000 0.954 3.661) 3.784 5.624 ( 0.000 -0.538 -2.388) 2.448 5.913 ( 0.000 -5.338 2.704) 5.984 6.196 ( 0.000 0.108 1.141) 1.146 6.574 ( -0.000 0.356 -10.560) 10.566 6.585 ( -0.000 0.988 -12.226) 12.266 7.131 ( 0.000 -13.107 -1.257) 13.167 7.203 ( 0.000 -8.096 -1.170) 8.180 7.426 ( -0.000 3.107 -31.644) 31.796 7.493 ( -0.000 5.504 7.418) 9.237 8.087 ( -0.000 -0.075 -4.936) 4.936 8.311 ( -0.000 3.189 0.921) 3.319 8.539 ( 0.000 -7.737 6.814) 10.310 8.588 ( 0.000 -4.106 -0.230) 4.113 8.719 ( -0.000 1.489 -3.112) 3.449 8.990 ( -0.000 1.173 -1.159) 1.649 9.156 ( -0.000 4.114 -2.859) 5.010 9.944 ( -0.000 12.090 15.064) 19.316 10.380 ( 0.000 -7.086 -3.050) 7.714 12.686 ( -0.000 1.420 8.029) 8.153 13.970 ( -0.000 8.009 -20.294) 21.817 14.259 ( 0.000 -4.145 4.723) 6.284 15.270 ( -0.000 6.280 -15.887) 17.083 ======================= Grid point 128 (98/135) ======================= q-point: (-0.38 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 5.361 3.205 -0.000) 6.246 2.336 ( 7.960 0.149 -0.000) 7.962 2.846 ( -9.981 3.028 0.000) 10.430 2.949 ( -1.148 -2.939 0.000) 3.155 2.980 ( -0.359 -0.819 0.000) 0.894 3.286 ( 4.640 -10.533 -0.000) 11.510 3.374 ( 1.551 7.067 -0.000) 7.235 3.919 ( -5.190 -6.016 0.000) 7.945 4.156 ( 1.568 13.113 -0.000) 13.206 4.181 ( -0.585 1.124 0.000) 1.267 4.559 ( 0.463 -1.197 -0.000) 1.283 5.185 ( 0.888 -8.863 -0.000) 8.907 5.300 ( -4.200 -5.381 0.000) 6.826 5.938 ( -29.502 -2.135 0.000) 29.579 5.943 ( -9.505 4.710 0.000) 10.608 6.153 ( -22.066 2.040 0.000) 22.160 6.493 ( 9.524 4.491 -0.000) 10.530 6.521 ( 20.892 -2.830 -0.000) 21.083 6.932 ( 17.715 7.960 -0.000) 19.421 7.069 ( 3.936 -0.253 -0.000) 3.944 7.109 ( 0.085 -1.554 -0.000) 1.557 7.374 ( -7.083 1.064 0.000) 7.162 7.478 ( -9.895 -6.661 0.000) 11.928 7.851 ( 6.766 0.279 -0.000) 6.772 8.083 ( -1.267 0.975 0.000) 1.599 8.365 ( -5.314 -2.203 0.000) 5.753 8.414 ( 1.419 0.657 -0.000) 1.563 8.513 ( -1.953 -2.539 0.000) 3.203 8.740 ( 1.959 2.651 -0.000) 3.296 8.841 ( 9.179 -0.485 -0.000) 9.191 9.212 ( 1.259 2.210 -0.000) 2.544 9.904 ( 8.620 -0.198 -0.000) 8.623 13.466 ( -9.339 -1.499 0.000) 9.458 14.252 ( 8.433 4.683 -0.000) 9.646 14.545 ( 12.950 -10.766 -0.000) 16.840 15.178 ( -13.056 6.961 0.000) 14.796 ======================= Grid point 131 (99/135) ======================= q-point: ( 0.42 -0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -6.698 18.058 9.993) 21.699 1.691 ( -12.206 18.830 8.474) 23.987 2.508 ( 0.317 10.788 1.248) 10.865 2.935 ( 1.127 0.306 -2.307) 2.586 3.135 ( -7.350 6.893 -4.989) 11.244 3.246 ( 5.389 -0.648 -0.171) 5.431 3.582 ( -4.857 -5.727 13.698) 15.622 3.855 ( -16.947 -10.388 1.642) 19.945 4.068 ( -17.324 0.747 -0.010) 17.340 4.232 ( 0.593 -2.781 12.103) 12.433 4.409 ( 4.202 -0.990 12.897) 13.600 4.601 ( 6.728 -6.599 -1.262) 9.508 4.672 ( 1.787 -2.068 -0.982) 2.904 5.441 ( -1.247 0.275 2.283) 2.616 5.690 ( -0.573 -2.182 -2.713) 3.528 5.841 ( -0.029 -5.709 3.948) 6.941 6.205 ( -1.892 -1.428 0.104) 2.373 6.780 ( -2.691 -1.539 -6.675) 7.360 6.818 ( -1.974 1.470 -7.507) 7.900 7.109 ( 1.972 -6.674 3.650) 7.859 7.207 ( -3.766 -15.204 -2.141) 15.809 7.395 ( -2.537 3.438 5.512) 6.974 7.978 ( 4.047 4.150 -18.640) 19.520 8.136 ( 3.984 0.086 -4.772) 6.217 8.302 ( 2.961 1.600 -1.620) 3.735 8.373 ( 1.506 -5.265 4.593) 7.147 8.614 ( 1.751 -3.568 -4.405) 5.933 8.759 ( 1.735 1.181 -1.527) 2.595 8.868 ( 11.520 1.824 0.202) 11.665 9.186 ( 0.182 3.888 0.467) 3.920 9.544 ( 5.019 9.306 16.286) 19.417 10.352 ( 6.390 1.539 -1.685) 6.785 12.676 ( -10.805 -0.821 3.267) 11.318 14.252 ( -5.082 -2.088 0.572) 5.524 14.350 ( -2.794 10.413 -10.749) 15.224 15.520 ( 9.667 -2.326 -14.144) 17.289 ======================= Grid point 135 (100/135) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -0.000 0.000 -21.305) 21.305 1.531 ( -0.000 0.000 -22.034) 22.034 2.511 ( -0.000 0.000 -23.501) 23.501 2.862 ( 0.000 -0.000 7.869) 7.869 2.947 ( 0.000 -0.000 1.675) 1.675 3.071 ( 0.000 -0.000 11.296) 11.296 3.719 ( 0.000 -0.000 5.646) 5.646 3.974 ( 0.000 -0.000 1.998) 1.998 4.505 ( -0.000 0.000 -0.648) 0.648 4.797 ( 0.000 -0.000 3.157) 3.157 4.933 ( -0.000 0.000 -35.695) 35.695 5.311 ( -0.000 0.000 -22.896) 22.896 5.434 ( -0.000 0.000 -26.087) 26.087 5.617 ( -0.000 0.000 -4.391) 4.391 5.786 ( 0.000 -0.000 13.099) 13.099 5.787 ( 0.000 -0.000 3.687) 3.687 5.883 ( 0.000 -0.000 2.038) 2.038 6.186 ( 0.000 -0.000 18.775) 18.775 6.411 ( 0.000 -0.000 31.205) 31.205 6.895 ( 0.000 -0.000 17.310) 17.310 6.942 ( 0.000 -0.000 4.117) 4.117 7.061 ( 0.000 -0.000 0.402) 0.402 7.963 ( -0.000 0.000 -0.292) 0.292 8.239 ( -0.000 0.000 -5.891) 5.891 8.369 ( 0.000 -0.000 7.546) 7.546 8.554 ( 0.000 -0.000 1.918) 1.918 8.626 ( 0.000 -0.000 5.958) 5.958 8.737 ( 0.000 -0.000 3.370) 3.370 8.942 ( -0.000 0.000 -4.692) 4.692 8.945 ( -0.000 0.000 -0.775) 0.775 9.536 ( -0.000 0.000 -12.673) 12.673 10.956 ( 0.000 -0.000 8.512) 8.512 12.841 ( -0.000 0.000 -11.635) 11.635 13.569 ( 0.000 -0.000 12.500) 12.500 14.284 ( 0.000 -0.000 2.046) 2.046 14.608 ( -0.000 0.000 -10.815) 10.815 ======================= Grid point 136 (101/135) ======================= q-point: ( 0.41 -0.41 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -12.634 18.265 0.000) 22.209 1.940 ( -17.284 16.945 0.000) 24.205 2.499 ( -1.371 5.822 0.000) 5.981 2.943 ( -0.297 -0.775 0.000) 0.830 3.131 ( 4.429 -5.491 -0.000) 7.055 3.379 ( -7.138 8.815 0.000) 11.342 3.474 ( 0.635 -2.747 -0.000) 2.820 4.035 ( 3.054 -5.532 -0.000) 6.319 4.196 ( 2.450 -0.667 -0.000) 2.539 4.276 ( -14.604 -7.006 0.000) 16.197 4.462 ( -3.192 -2.602 0.000) 4.118 4.572 ( -28.463 -0.449 0.000) 28.467 4.640 ( 2.204 -1.519 -0.000) 2.677 5.467 ( -3.339 -0.934 0.000) 3.467 5.699 ( 3.529 -4.497 -0.000) 5.716 5.816 ( -3.497 -2.362 0.000) 4.220 6.260 ( -3.466 -0.475 0.000) 3.499 6.873 ( -0.023 -2.578 0.000) 2.578 7.007 ( -5.892 0.705 0.000) 5.934 7.095 ( -3.187 -3.610 0.000) 4.816 7.317 ( 2.473 3.656 -0.000) 4.414 7.338 ( -5.181 -16.148 0.000) 16.958 7.967 ( 13.935 4.209 -0.000) 14.557 8.141 ( 2.597 -1.874 -0.000) 3.203 8.217 ( 12.955 1.877 -0.000) 13.090 8.266 ( 0.136 -3.585 -0.000) 3.588 8.606 ( 8.897 -0.372 -0.000) 8.905 8.659 ( 3.998 -1.347 -0.000) 4.219 8.735 ( 1.682 1.595 -0.000) 2.318 9.176 ( 0.368 4.385 -0.000) 4.400 9.188 ( 7.311 6.140 -0.000) 9.548 10.218 ( 8.468 5.769 -0.000) 10.246 12.930 ( -15.474 -1.531 0.000) 15.550 14.343 ( -1.623 0.771 0.000) 1.797 14.557 ( -7.487 9.837 0.000) 12.362 15.396 ( 15.956 -8.876 -0.000) 18.258 ======================= Grid point 140 (102/135) ======================= q-point: (-0.19 -0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -4.271 0.000 -14.046) 14.681 2.016 ( -8.534 0.000 -15.550) 17.738 2.691 ( 0.609 -0.000 4.108) 4.153 2.804 ( 5.043 0.000 -4.796) 6.960 2.875 ( -4.003 -0.000 10.333) 11.081 3.060 ( -7.521 0.000 -7.996) 10.978 3.742 ( -14.936 -0.000 7.203) 16.582 4.086 ( -14.975 -0.000 2.034) 15.112 4.491 ( 2.049 0.000 0.327) 2.075 4.627 ( 8.497 0.000 3.786) 9.302 5.424 ( 3.257 -0.000 14.085) 14.456 5.565 ( 5.090 -0.000 8.650) 10.036 5.588 ( 4.860 0.000 -1.324) 5.037 5.616 ( 3.159 -0.000 6.096) 6.866 5.790 ( -0.835 -0.000 9.573) 9.610 5.822 ( -4.040 0.000 -7.242) 8.293 5.872 ( -3.625 0.000 -15.007) 15.439 5.946 ( -2.616 0.000 -13.714) 13.962 6.049 ( -6.469 0.000 -9.895) 11.822 6.510 ( -0.357 -0.000 15.061) 15.065 6.943 ( -4.153 -0.000 1.155) 4.311 7.100 ( -6.542 -0.000 4.515) 7.949 7.923 ( 8.231 0.000 -3.026) 8.770 8.033 ( 9.086 0.000 7.112) 11.539 8.415 ( 0.774 0.000 -4.269) 4.339 8.445 ( 4.771 0.000 4.025) 6.242 8.520 ( 1.332 0.000 -0.254) 1.356 8.621 ( 0.957 -0.000 7.098) 7.162 8.943 ( 2.063 0.000 0.572) 2.141 9.087 ( -2.699 0.000 -4.604) 5.337 9.758 ( 4.125 0.000 -12.556) 13.216 10.627 ( 11.776 0.000 8.820) 14.713 13.195 ( -3.115 0.000 -17.792) 18.062 13.302 ( -1.562 -0.000 12.213) 12.312 14.254 ( -1.443 -0.000 0.956) 1.731 14.863 ( -0.851 0.000 -8.010) 8.056 ======================= Grid point 144 (103/135) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -0.000 24.849 -0.000) 24.849 1.013 ( -0.000 25.374 -0.000) 25.374 1.844 ( -0.000 44.848 -0.000) 44.848 2.995 ( 0.000 -0.600 0.000) 0.600 3.064 ( 0.000 -4.403 0.000) 4.403 3.346 ( 0.000 -2.403 0.000) 2.403 3.601 ( 0.000 -12.069 0.000) 12.069 3.877 ( 0.000 -8.876 0.000) 8.876 3.880 ( -0.000 0.111 -0.000) 0.111 4.158 ( 0.000 -3.637 0.000) 3.637 4.312 ( 0.000 -0.181 0.000) 0.181 4.678 ( -0.000 5.404 -0.000) 5.404 4.951 ( 0.000 -15.981 0.000) 15.981 5.367 ( -0.000 1.618 -0.000) 1.618 5.844 ( 0.000 -3.286 0.000) 3.286 5.906 ( 0.000 -12.572 0.000) 12.572 6.171 ( -0.000 3.922 -0.000) 3.922 6.817 ( -0.000 2.347 -0.000) 2.347 6.908 ( 0.000 -0.099 0.000) 0.099 7.160 ( -0.000 7.547 -0.000) 7.547 7.198 ( 0.000 -8.821 0.000) 8.821 7.585 ( 0.000 -20.967 0.000) 20.967 8.127 ( -0.000 4.251 -0.000) 4.251 8.288 ( -0.000 8.086 -0.000) 8.086 8.292 ( 0.000 -7.026 0.000) 7.026 8.399 ( 0.000 -6.350 0.000) 6.350 8.756 ( -0.000 2.933 -0.000) 2.933 8.757 ( 0.000 -0.508 0.000) 0.508 8.991 ( -0.000 1.575 -0.000) 1.575 9.053 ( -0.000 7.102 -0.000) 7.102 9.175 ( -0.000 10.684 -0.000) 10.684 10.400 ( -0.000 1.978 -0.000) 1.978 12.535 ( 0.000 -1.332 0.000) 1.332 14.182 ( 0.000 -1.230 0.000) 1.230 14.236 ( -0.000 10.969 -0.000) 10.969 15.970 ( 0.000 -6.787 0.000) 6.787 ======================= Grid point 145 (104/135) ======================= q-point: (-0.20 -0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -4.351 -0.000 0.159) 4.354 2.399 ( -5.458 -0.000 -5.166) 7.515 2.707 ( -5.543 -0.000 6.414) 8.477 2.754 ( 4.890 0.000 -3.615) 6.081 2.888 ( -4.344 0.000 -7.204) 8.412 3.295 ( 0.382 0.000 -3.707) 3.727 3.991 ( -22.008 -0.000 7.144) 23.139 4.301 ( -1.334 -0.000 7.087) 7.212 4.338 ( 11.359 0.000 3.593) 11.914 4.546 ( -20.667 -0.000 -0.466) 20.672 5.006 ( 2.620 -0.000 19.068) 19.247 5.152 ( 2.652 -0.000 22.366) 22.523 5.175 ( -12.452 -0.000 20.916) 24.342 5.465 ( 0.719 -0.000 0.775) 1.057 5.641 ( 4.710 -0.000 5.946) 7.585 5.988 ( -6.450 -0.000 3.356) 7.271 6.298 ( -0.800 0.000 -17.156) 17.174 6.408 ( -8.108 -0.000 2.553) 8.501 6.447 ( -0.812 0.000 -16.894) 16.913 6.625 ( 1.441 0.000 -36.545) 36.574 7.044 ( -7.972 -0.000 1.146) 8.054 7.092 ( -4.424 -0.000 7.651) 8.838 7.654 ( 14.308 0.000 1.050) 14.346 7.824 ( 11.552 0.000 -2.406) 11.800 8.302 ( 3.504 0.000 0.870) 3.610 8.329 ( 6.488 0.000 2.348) 6.900 8.442 ( 1.309 -0.000 6.378) 6.511 8.576 ( -0.227 0.000 -2.571) 2.581 8.814 ( 6.439 0.000 1.822) 6.692 9.197 ( -0.595 0.000 -2.181) 2.261 9.905 ( 6.292 0.000 -11.156) 12.809 10.142 ( 15.641 0.000 10.024) 18.578 13.172 ( -6.849 -0.000 7.607) 10.236 13.665 ( -1.196 0.000 -20.560) 20.595 14.355 ( -7.379 -0.000 -3.033) 7.978 14.919 ( 8.439 0.000 -4.627) 9.624 ======================= Grid point 150 (105/135) ======================= q-point: (-0.21 0.46 -0.79) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -6.725 -0.000 0.691) 6.761 2.442 ( 2.449 0.000 1.244) 2.747 2.687 ( -5.713 -0.000 3.776) 6.848 2.817 ( -0.504 0.000 -4.769) 4.795 3.111 ( 0.231 0.000 -6.259) 6.264 3.213 ( 6.539 0.000 2.585) 7.031 3.991 ( 9.330 -0.000 10.184) 13.811 4.052 ( -8.282 -0.000 15.580) 17.645 4.253 ( -3.676 -0.000 0.023) 3.676 4.610 ( 1.005 -0.000 11.697) 11.740 4.678 ( 0.353 -0.000 18.248) 18.252 5.105 ( -24.571 -0.000 0.424) 24.574 5.235 ( -18.411 -0.000 2.784) 18.620 5.384 ( 6.902 0.000 6.103) 9.214 5.597 ( -20.169 -0.000 3.172) 20.417 6.036 ( -5.384 -0.000 2.969) 6.149 6.540 ( -5.186 -0.000 -2.774) 5.881 6.661 ( 3.366 0.000 -12.800) 13.235 6.766 ( -0.841 0.000 -11.896) 11.926 6.964 ( 0.553 -0.000 4.799) 4.831 7.201 ( -10.135 -0.000 -0.412) 10.143 7.290 ( 3.470 0.000 -27.505) 27.723 7.381 ( 14.587 0.000 -1.975) 14.720 7.534 ( 18.666 0.000 0.544) 18.674 8.166 ( 2.393 -0.000 2.786) 3.672 8.278 ( 0.243 0.000 -2.229) 2.242 8.341 ( -1.019 -0.000 2.476) 2.678 8.520 ( 3.579 0.000 1.910) 4.057 8.753 ( -1.351 -0.000 -0.410) 1.412 9.193 ( 4.106 0.000 -0.112) 4.107 9.596 ( 13.951 0.000 11.241) 17.917 9.954 ( 8.456 0.000 -7.308) 11.176 13.249 ( -9.620 -0.000 1.820) 9.791 14.044 ( 2.288 0.000 -15.715) 15.881 14.695 ( -12.613 -0.000 -8.658) 15.298 14.735 ( 15.792 0.000 -2.134) 15.935 ======================= Grid point 154 (106/135) ======================= q-point: ( 0.59 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.000 1.472 4.666) 4.893 2.288 ( 0.000 -4.608 -11.845) 12.709 2.437 ( -0.000 10.606 12.993) 16.772 2.654 ( -0.000 7.195 -10.398) 12.645 2.958 ( 0.000 -2.361 -0.824) 2.500 3.200 ( -0.000 -0.060 -8.336) 8.337 3.507 ( 0.000 -9.098 5.021) 10.392 3.873 ( -0.000 0.251 1.999) 2.015 4.521 ( 0.000 -5.024 3.848) 6.328 4.645 ( -0.000 0.183 1.761) 1.770 4.814 ( -0.000 9.065 30.249) 31.578 5.057 ( 0.000 -2.041 24.368) 24.453 5.315 ( 0.000 -1.043 22.562) 22.586 5.612 ( -0.000 1.222 5.026) 5.173 5.634 ( -0.000 4.111 -0.841) 4.196 5.849 ( 0.000 -6.307 1.055) 6.394 6.243 ( 0.000 -3.044 8.230) 8.775 6.261 ( -0.000 0.929 -18.750) 18.773 6.373 ( -0.000 4.290 -15.856) 16.426 6.647 ( -0.000 1.949 -39.591) 39.639 6.937 ( 0.000 -7.278 1.533) 7.438 7.063 ( 0.000 -9.723 1.000) 9.775 7.821 ( -0.000 8.417 9.717) 12.856 8.025 ( -0.000 4.138 -4.731) 6.285 8.411 ( -0.000 0.900 4.009) 4.109 8.518 ( 0.000 -3.977 0.973) 4.094 8.542 ( 0.000 -5.387 5.251) 7.523 8.636 ( 0.000 -1.423 -4.878) 5.082 8.980 ( -0.000 0.591 -1.174) 1.315 9.133 ( -0.000 3.031 -5.053) 5.893 10.114 ( 0.000 -6.352 -9.464) 11.398 10.427 ( -0.000 7.645 12.830) 14.935 12.955 ( -0.000 3.347 12.529) 12.969 13.594 ( -0.000 2.917 -23.243) 23.426 14.255 ( 0.000 -5.804 3.642) 6.852 15.072 ( -0.000 3.342 -12.200) 12.649 ======================= Grid point 156 (107/135) ======================= q-point: (-0.22 0.34 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 7.098 0.000 4.581) 8.448 2.324 ( 8.249 0.000 -0.053) 8.249 2.845 ( -6.850 -0.000 -3.673) 7.773 2.919 ( -2.935 -0.000 -1.250) 3.190 3.014 ( 4.317 0.000 3.290) 5.427 3.149 ( 1.825 0.000 -1.574) 2.410 3.601 ( 2.035 -0.000 12.216) 12.384 3.948 ( -7.538 -0.000 8.814) 11.598 4.292 ( -2.522 -0.000 0.392) 2.553 4.327 ( -1.223 -0.000 12.402) 12.462 4.533 ( 0.405 0.000 -0.373) 0.550 5.128 ( 6.853 0.000 3.965) 7.917 5.261 ( -3.806 -0.000 1.186) 3.987 5.887 ( -31.726 -0.000 -3.136) 31.880 6.029 ( -15.401 -0.000 3.306) 15.752 6.173 ( -21.268 -0.000 -0.236) 21.269 6.473 ( 24.028 0.000 -1.656) 24.085 6.518 ( 18.292 0.000 -0.406) 18.297 6.992 ( -1.677 0.000 -6.870) 7.072 7.033 ( 3.555 0.000 -1.534) 3.871 7.080 ( 9.995 0.000 -2.515) 10.307 7.330 ( -2.950 0.000 -3.241) 4.383 7.400 ( -10.853 -0.000 1.374) 10.940 7.673 ( 5.432 0.000 -15.970) 16.869 8.121 ( -2.365 -0.000 2.035) 3.120 8.355 ( -4.666 -0.000 1.030) 4.778 8.370 ( -0.353 0.000 -3.688) 3.705 8.489 ( -3.266 -0.000 0.410) 3.292 8.788 ( -2.710 -0.000 1.684) 3.191 8.923 ( 14.911 0.000 5.824) 16.008 9.269 ( 2.318 -0.000 3.517) 4.212 9.872 ( 9.280 0.000 -2.600) 9.638 13.437 ( -7.710 -0.000 -1.353) 7.827 14.242 ( 3.155 0.000 -8.288) 8.868 14.402 ( 17.820 0.000 -0.028) 17.820 15.155 ( -13.297 -0.000 -8.003) 15.519 ======================= Grid point 159 (108/135) ======================= q-point: ( 0.58 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( -3.574 6.971 6.911) 10.446 2.233 ( -6.642 13.275 11.684) 18.891 2.476 ( -0.456 -3.081 -4.509) 5.481 2.893 ( 0.626 4.600 -7.425) 8.757 3.034 ( -2.497 -2.614 -5.768) 6.808 3.306 ( 1.483 5.452 -1.917) 5.966 3.589 ( -12.804 -11.774 2.812) 17.621 3.947 ( -13.618 -4.033 9.847) 17.283 4.208 ( -11.021 1.697 14.526) 18.312 4.488 ( 5.952 -2.833 8.927) 11.096 4.604 ( 0.383 2.147 3.952) 4.514 4.613 ( 0.179 1.825 12.071) 12.209 4.794 ( 3.645 0.165 19.202) 19.545 5.487 ( 2.047 -0.728 2.914) 3.635 5.667 ( 0.675 0.150 0.844) 1.091 5.812 ( -1.778 -3.982 2.985) 5.285 6.188 ( -5.996 -3.385 2.639) 7.374 6.609 ( -1.885 0.829 -12.476) 12.645 6.661 ( -1.995 4.557 -9.644) 10.852 6.955 ( -4.223 -8.167 0.693) 9.220 7.015 ( 0.149 -9.313 1.794) 9.485 7.444 ( 2.845 1.811 -34.224) 34.389 7.622 ( 1.019 5.561 6.961) 8.968 8.067 ( 5.030 2.599 -4.546) 7.261 8.332 ( 2.680 1.859 1.102) 3.443 8.378 ( 1.762 -5.339 5.333) 7.749 8.486 ( 2.860 -4.708 -0.338) 5.519 8.713 ( 3.131 -0.267 -3.602) 4.780 8.907 ( 7.846 1.605 0.332) 8.015 9.221 ( -0.127 1.678 -1.932) 2.563 10.042 ( 7.250 6.301 15.581) 18.304 10.248 ( 4.557 -1.524 -7.584) 8.978 12.804 ( -8.259 1.257 8.378) 11.831 14.094 ( 0.360 3.339 -20.061) 20.340 14.264 ( -6.604 -1.415 -1.102) 6.843 15.249 ( 7.625 1.034 -10.640) 13.131 ======================= Grid point 161 (109/135) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 18.693 0.000 -0.000) 18.693 2.062 ( 17.138 0.000 -0.000) 17.138 2.918 ( 5.278 0.000 -0.000) 5.278 2.955 ( -0.939 -0.000 0.000) 0.939 3.010 ( -5.490 -0.000 0.000) 5.490 3.165 ( 0.325 0.000 -0.000) 0.325 3.487 ( -4.491 -0.000 0.000) 4.491 3.995 ( -6.575 -0.000 0.000) 6.575 4.216 ( -1.409 -0.000 0.000) 1.409 4.391 ( -7.572 -0.000 0.000) 7.572 4.537 ( 0.634 0.000 -0.000) 0.634 4.987 ( 1.765 0.000 -0.000) 1.765 5.302 ( -1.856 -0.000 0.000) 1.856 5.885 ( 34.463 0.000 -0.000) 34.463 5.925 ( 31.427 0.000 -0.000) 31.427 6.116 ( -3.862 -0.000 0.000) 3.862 6.596 ( -28.000 -0.000 0.000) 28.000 6.696 ( -23.741 -0.000 0.000) 23.741 6.936 ( 6.476 0.000 -0.000) 6.476 6.997 ( 3.100 0.000 -0.000) 3.100 7.105 ( -1.841 -0.000 0.000) 1.841 7.564 ( -5.207 -0.000 0.000) 5.207 7.590 ( -10.524 -0.000 0.000) 10.524 7.758 ( -0.067 -0.000 0.000) 0.067 8.162 ( -4.540 -0.000 0.000) 4.540 8.432 ( -3.033 -0.000 0.000) 3.033 8.440 ( -3.152 -0.000 0.000) 3.152 8.583 ( 9.460 0.000 -0.000) 9.460 8.616 ( -8.659 -0.000 0.000) 8.659 8.800 ( -1.411 -0.000 0.000) 1.411 9.199 ( 2.150 0.000 -0.000) 2.150 9.719 ( 7.196 0.000 -0.000) 7.196 13.522 ( 4.717 0.000 -0.000) 4.717 14.103 ( 7.468 0.000 -0.000) 7.468 14.260 ( 3.798 0.000 -0.000) 3.798 15.520 ( -12.595 -0.000 0.000) 12.595 ======================= Grid point 164 (110/135) ======================= q-point: ( 0.57 -0.45 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -8.586 11.625 2.654) 14.694 2.250 ( -13.897 11.293 5.456) 18.720 2.517 ( 1.737 -1.907 -1.342) 2.907 2.947 ( 1.537 -2.030 -2.169) 3.345 3.082 ( 2.386 2.565 4.227) 5.490 3.351 ( -0.209 1.411 -5.594) 5.773 3.620 ( -4.142 -2.081 9.021) 10.142 4.059 ( 7.361 -5.826 10.711) 14.243 4.166 ( -16.887 -6.407 2.348) 18.213 4.311 ( 1.318 -0.862 11.421) 11.529 4.538 ( -8.994 3.745 0.037) 9.742 4.577 ( -18.918 0.579 0.768) 18.942 4.611 ( -6.709 3.642 3.086) 8.234 5.436 ( -1.755 -2.691 1.114) 3.401 5.548 ( 5.034 -10.731 2.178) 12.051 5.848 ( -5.167 1.890 1.526) 5.710 6.317 ( -8.393 4.162 0.421) 9.378 6.824 ( -2.622 -0.014 -0.751) 2.728 6.915 ( -4.164 1.356 -9.877) 10.805 6.987 ( 0.070 -4.798 -2.011) 5.203 7.074 ( -7.644 -9.683 -0.121) 12.337 7.455 ( 3.402 1.487 5.775) 6.865 7.916 ( 7.991 2.902 -15.516) 17.692 8.026 ( 11.530 1.729 -8.614) 14.495 8.222 ( 7.351 0.319 1.449) 7.499 8.252 ( 1.382 -2.721 3.528) 4.665 8.477 ( 4.362 -2.537 -7.926) 9.396 8.618 ( 7.988 -1.222 0.485) 8.095 8.764 ( 2.315 0.947 0.417) 2.536 9.226 ( 1.453 2.382 -0.369) 2.814 9.515 ( 9.804 4.298 15.796) 19.082 10.248 ( 8.094 1.954 -4.304) 9.373 12.934 ( -14.559 -0.431 2.673) 14.808 14.304 ( -2.303 -1.261 -3.733) 4.564 14.611 ( -7.727 6.118 -9.733) 13.851 15.187 ( 15.986 -3.334 -6.245) 17.483 ======================= Grid point 169 (111/135) ======================= q-point: ( 0.57 -0.57 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( -5.774 10.530 0.000) 12.009 2.451 ( 2.350 4.527 -0.000) 5.101 2.559 ( -14.924 2.908 0.000) 15.205 2.949 ( 0.728 -6.634 -0.000) 6.673 2.982 ( 0.841 3.677 -0.000) 3.772 3.391 ( 4.186 -9.039 -0.000) 9.962 3.471 ( 5.722 7.812 -0.000) 9.683 3.844 ( -0.800 -9.037 0.000) 9.072 4.174 ( -0.081 0.243 0.000) 0.256 4.229 ( 4.356 6.128 -0.000) 7.518 4.570 ( 0.567 -2.106 -0.000) 2.181 5.005 ( -25.493 5.346 0.000) 26.047 5.097 ( -19.294 -2.603 0.000) 19.468 5.478 ( -5.399 -14.431 0.000) 15.408 5.568 ( -15.100 -1.248 0.000) 15.151 5.940 ( -5.503 3.403 0.000) 6.470 6.476 ( -6.616 9.704 0.000) 11.745 6.795 ( 5.422 -1.930 -0.000) 5.755 7.057 ( -1.869 -2.898 0.000) 3.449 7.206 ( -8.711 -0.337 0.000) 8.718 7.211 ( 9.393 0.333 -0.000) 9.399 7.246 ( -7.052 -7.667 0.000) 10.417 7.574 ( 28.952 3.004 -0.000) 29.107 7.999 ( 7.603 -0.357 -0.000) 7.611 8.083 ( 1.303 0.091 -0.000) 1.306 8.267 ( -3.943 -1.409 0.000) 4.187 8.475 ( 4.155 0.085 -0.000) 4.156 8.536 ( 4.080 -2.360 -0.000) 4.714 8.739 ( 0.013 0.937 -0.000) 0.937 9.073 ( 11.214 2.264 -0.000) 11.440 9.230 ( 0.651 2.494 -0.000) 2.577 10.101 ( 10.120 2.008 -0.000) 10.317 13.217 ( -14.259 -1.078 0.000) 14.299 14.357 ( 2.146 1.582 -0.000) 2.666 14.883 ( 16.706 -4.079 -0.000) 17.197 14.916 ( -10.047 3.357 0.000) 10.593 ======================= Grid point 172 (112/135) ======================= q-point: ( 0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -0.000 19.098 7.554) 20.538 1.545 ( -0.000 20.531 14.168) 24.945 2.513 ( -0.000 13.916 1.184) 13.966 2.963 ( -0.000 0.768 -3.319) 3.407 3.031 ( -0.000 7.636 -3.286) 8.313 3.321 ( -0.000 2.691 -2.421) 3.620 3.507 ( 0.000 -10.993 16.831) 20.103 3.683 ( 0.000 -11.544 -0.296) 11.548 3.881 ( -0.000 0.714 -0.143) 0.728 4.239 ( 0.000 -2.106 12.181) 12.362 4.458 ( 0.000 -0.030 13.389) 13.389 4.674 ( 0.000 -8.626 -2.044) 8.865 4.691 ( 0.000 -2.776 -1.031) 2.961 5.429 ( -0.000 1.101 2.790) 3.000 5.680 ( 0.000 -2.932 -2.903) 4.126 5.843 ( 0.000 -5.106 3.629) 6.264 6.186 ( 0.000 -1.934 -0.002) 1.934 6.750 ( 0.000 -1.361 -7.221) 7.348 6.798 ( -0.000 0.862 -6.763) 6.818 7.136 ( 0.000 -8.241 5.149) 9.717 7.164 ( 0.000 -16.729 -1.743) 16.820 7.362 ( -0.000 5.770 4.699) 7.441 8.020 ( -0.000 4.423 -19.515) 20.010 8.174 ( 0.000 -1.062 -3.184) 3.356 8.342 ( -0.000 4.880 -4.132) 6.394 8.375 ( 0.000 -8.140 7.558) 11.108 8.633 ( 0.000 -2.792 -5.000) 5.727 8.777 ( -0.000 2.219 -2.082) 3.043 9.010 ( -0.000 1.230 -0.699) 1.415 9.179 ( -0.000 4.618 0.211) 4.623 9.596 ( -0.000 9.751 17.064) 19.653 10.424 ( 0.000 -0.878 -1.275) 1.548 12.555 ( 0.000 -0.484 4.207) 4.235 14.184 ( 0.000 -2.024 2.396) 3.136 14.329 ( -0.000 11.475 -12.292) 16.816 15.625 ( 0.000 -1.835 -15.985) 16.090 ======================= Grid point 177 (113/135) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -8.229 22.346 0.000) 23.813 1.603 ( -14.083 18.628 0.000) 23.352 2.492 ( 0.336 16.117 -0.000) 16.120 2.959 ( 1.643 -0.277 -0.000) 1.666 3.204 ( -9.343 12.139 0.000) 15.318 3.229 ( 5.048 -7.836 -0.000) 9.321 3.432 ( -3.893 -5.165 0.000) 6.467 3.844 ( -15.809 -11.084 0.000) 19.308 4.053 ( -9.829 -0.148 0.000) 9.830 4.114 ( -6.662 -2.242 0.000) 7.029 4.267 ( 3.750 -0.720 -0.000) 3.819 4.618 ( 7.564 -7.384 -0.000) 10.571 4.683 ( 1.743 -2.697 -0.000) 3.211 5.415 ( -1.799 0.424 0.000) 1.849 5.755 ( -2.275 -4.573 0.000) 5.108 5.762 ( 2.203 -3.943 -0.000) 4.517 6.205 ( -1.766 -2.207 0.000) 2.827 6.865 ( -0.448 -3.866 0.000) 3.892 6.901 ( -3.955 1.681 0.000) 4.297 7.057 ( -0.743 -6.051 0.000) 6.096 7.239 ( -4.200 -19.036 0.000) 19.494 7.322 ( -0.987 6.742 0.000) 6.814 8.140 ( 4.899 3.090 -0.000) 5.792 8.188 ( 1.855 -2.178 -0.000) 2.861 8.278 ( 0.487 -5.554 -0.000) 5.575 8.390 ( 3.630 4.036 -0.000) 5.428 8.731 ( 3.167 0.895 -0.000) 3.291 8.777 ( 2.026 1.867 -0.000) 2.755 8.864 ( 13.001 1.253 -0.000) 13.061 9.180 ( -0.170 4.817 0.000) 4.820 9.303 ( 3.887 7.173 -0.000) 8.158 10.370 ( 5.962 3.974 -0.000) 7.165 12.642 ( -11.658 -1.677 0.000) 11.778 14.239 ( -6.665 -2.029 0.000) 6.967 14.472 ( -1.429 12.200 0.000) 12.283 15.693 ( 11.783 -7.924 -0.000) 14.199 ======================= Grid point 181 (114/135) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -0.000 0.000 -17.916) 17.916 1.948 ( -0.000 0.000 -16.098) 16.098 2.716 ( 0.000 -0.000 4.643) 4.643 2.815 ( 0.000 -0.000 12.580) 12.580 2.914 ( -0.000 0.000 -15.319) 15.319 2.918 ( 0.000 -0.000 0.877) 0.877 3.580 ( 0.000 -0.000 7.347) 7.347 3.928 ( 0.000 -0.000 2.312) 2.312 4.514 ( 0.000 -0.000 0.026) 0.026 4.722 ( 0.000 -0.000 3.625) 3.625 5.458 ( 0.000 -0.000 18.289) 18.289 5.630 ( 0.000 -0.000 27.241) 27.241 5.665 ( -0.000 0.000 -3.946) 3.946 5.688 ( -0.000 0.000 -22.429) 22.429 5.744 ( 0.000 -0.000 13.268) 13.268 5.760 ( 0.000 -0.000 20.973) 20.973 5.832 ( -0.000 0.000 -21.466) 21.466 5.892 ( -0.000 0.000 -18.071) 18.071 5.990 ( -0.000 0.000 -22.460) 22.460 6.513 ( 0.000 -0.000 17.642) 17.642 6.900 ( 0.000 -0.000 1.236) 1.236 7.026 ( 0.000 -0.000 2.868) 2.868 7.999 ( -0.000 0.000 -2.862) 2.862 8.135 ( 0.000 -0.000 10.160) 10.160 8.448 ( -0.000 0.000 -8.980) 8.980 8.503 ( 0.000 -0.000 5.363) 5.363 8.512 ( 0.000 -0.000 1.871) 1.871 8.627 ( 0.000 -0.000 6.596) 6.596 8.963 ( -0.000 0.000 -0.973) 0.973 9.054 ( -0.000 0.000 -5.515) 5.515 9.803 ( -0.000 0.000 -12.387) 12.387 10.752 ( 0.000 -0.000 10.734) 10.734 13.162 ( -0.000 0.000 -18.677) 18.677 13.286 ( 0.000 -0.000 13.987) 13.987 14.239 ( 0.000 -0.000 2.126) 2.126 14.850 ( -0.000 0.000 -11.850) 11.850 ======================= Grid point 186 (115/135) ======================= q-point: (-0.26 -0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -1.312 -0.000 0.631) 1.456 2.293 ( -4.393 0.000 -10.131) 11.043 2.597 ( -4.451 -0.000 9.486) 10.478 2.799 ( -3.858 0.000 -8.034) 8.912 2.859 ( 4.921 0.000 -2.382) 5.467 3.247 ( -4.334 0.000 -8.196) 9.271 3.582 ( -15.672 -0.000 7.635) 17.433 4.033 ( -14.938 -0.000 3.273) 15.292 4.444 ( 1.720 -0.000 5.695) 5.949 4.552 ( 8.556 0.000 3.421) 9.214 4.994 ( -4.956 -0.000 25.590) 26.066 5.024 ( -0.266 -0.000 21.629) 21.631 5.241 ( 4.862 -0.000 21.544) 22.086 5.541 ( 5.243 0.000 2.419) 5.775 5.704 ( 1.300 -0.000 2.596) 2.903 5.850 ( -6.748 -0.000 2.919) 7.353 6.250 ( -4.933 -0.000 6.380) 8.065 6.284 ( -1.790 0.000 -16.387) 16.485 6.434 ( -0.437 0.000 -17.752) 17.757 6.658 ( 1.430 0.000 -39.301) 39.327 6.917 ( -4.324 -0.000 1.290) 4.512 6.995 ( -4.134 -0.000 5.205) 6.647 7.857 ( 5.861 -0.000 8.450) 10.283 8.009 ( 6.228 0.000 -4.242) 7.535 8.376 ( 3.222 0.000 2.093) 3.842 8.439 ( 3.779 0.000 0.716) 3.847 8.464 ( 0.785 -0.000 7.561) 7.602 8.604 ( 2.231 0.000 -5.761) 6.177 8.933 ( 4.691 0.000 0.424) 4.710 9.176 ( -1.163 0.000 -3.658) 3.838 10.014 ( 3.959 0.000 -11.485) 12.148 10.403 ( 9.174 -0.000 12.357) 15.391 13.044 ( -4.961 -0.000 11.762) 12.765 13.637 ( -1.253 0.000 -23.299) 23.332 14.237 ( -3.968 -0.000 0.523) 4.003 15.054 ( 4.577 0.000 -9.675) 10.703 ======================= Grid point 191 (116/135) ======================= q-point: ( 0.74 -0.49 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -6.729 -0.000 1.537) 6.902 2.458 ( -0.424 0.000 -1.328) 1.394 2.538 ( -8.393 -0.000 8.345) 11.836 2.845 ( 2.921 0.000 -3.947) 4.910 3.093 ( -1.957 0.000 -9.927) 10.118 3.325 ( 3.945 0.000 1.499) 4.220 3.793 ( -15.896 -0.000 10.893) 19.270 4.161 ( -8.981 -0.000 4.857) 10.210 4.226 ( 12.377 0.000 8.538) 15.036 4.556 ( -23.162 -0.000 -0.427) 23.166 4.610 ( -0.627 -0.000 16.789) 16.801 4.722 ( 3.483 -0.000 15.845) 16.223 4.847 ( -15.556 -0.000 9.830) 18.402 5.441 ( -0.036 -0.000 1.397) 1.397 5.514 ( 6.051 0.000 5.778) 8.366 5.917 ( -6.099 -0.000 2.843) 6.729 6.361 ( -10.689 -0.000 0.308) 10.693 6.663 ( -1.886 0.000 -14.798) 14.917 6.750 ( -0.752 0.000 -11.232) 11.258 6.942 ( -2.299 -0.000 6.273) 6.681 7.009 ( -8.040 -0.000 1.364) 8.155 7.381 ( 4.639 0.000 -32.765) 33.091 7.585 ( 7.000 0.000 4.773) 8.472 7.919 ( 14.071 0.000 -5.663) 15.168 8.281 ( 8.383 0.000 2.168) 8.658 8.299 ( 1.219 -0.000 2.220) 2.533 8.335 ( 0.678 0.000 0.417) 0.796 8.607 ( 4.863 0.000 -0.445) 4.883 8.787 ( 4.684 0.000 0.844) 4.760 9.233 ( 0.643 0.000 -1.152) 1.319 9.886 ( 13.118 -0.000 14.101) 19.259 10.119 ( 7.246 0.000 -8.762) 11.370 13.028 ( -11.411 -0.000 5.849) 12.823 14.085 ( 1.704 0.000 -16.638) 16.725 14.449 ( -11.050 -0.000 -7.058) 13.112 15.038 ( 13.272 0.000 -6.080) 14.598 ======================= Grid point 197 (117/135) ======================= q-point: (-0.27 0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -3.982 -0.000 1.130) 4.139 2.439 ( 3.520 0.000 -0.915) 3.637 2.631 ( -12.592 -0.000 1.480) 12.679 2.879 ( -0.807 0.000 -0.867) 1.185 3.124 ( 5.774 0.000 4.795) 7.506 3.217 ( 3.616 0.000 -3.523) 5.049 3.737 ( 10.769 -0.000 11.267) 15.586 3.786 ( -8.227 -0.000 8.160) 11.588 4.271 ( -1.113 -0.000 -0.986) 1.487 4.306 ( -0.744 -0.000 11.937) 11.960 4.542 ( 0.486 -0.000 0.519) 0.710 5.084 ( -18.235 -0.000 1.083) 18.267 5.194 ( -32.123 -0.000 1.347) 32.152 5.270 ( 6.766 0.000 4.264) 7.998 5.560 ( -17.311 -0.000 0.655) 17.323 5.990 ( -5.740 -0.000 1.359) 5.899 6.575 ( -7.321 -0.000 -1.142) 7.409 6.798 ( 7.552 0.000 1.114) 7.634 6.956 ( -1.863 0.000 -5.861) 6.150 7.009 ( -3.436 0.000 -9.588) 10.184 7.177 ( -10.511 -0.000 0.951) 10.554 7.350 ( 5.093 0.000 4.731) 6.952 7.568 ( 29.149 0.000 -2.996) 29.302 7.806 ( 7.037 0.000 -17.890) 19.224 8.112 ( 1.733 -0.000 2.171) 2.778 8.273 ( -3.286 -0.000 1.683) 3.692 8.392 ( 2.282 0.000 -6.644) 7.025 8.488 ( 2.928 0.000 1.064) 3.116 8.752 ( -0.544 -0.000 0.319) 0.631 9.178 ( 7.802 0.000 2.404) 8.164 9.350 ( 7.478 -0.000 10.338) 12.759 10.076 ( 10.145 0.000 -4.027) 10.915 13.219 ( -12.969 -0.000 1.064) 13.012 14.294 ( 1.662 0.000 -7.492) 7.674 14.790 ( 19.092 0.000 -2.438) 19.247 14.882 ( -12.735 -0.000 -7.918) 14.996 ======================= Grid point 201 (118/135) ======================= q-point: ( 0.53 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -0.000 8.011 8.394) 11.603 2.158 ( -0.000 13.054 13.042) 18.452 2.472 ( 0.000 -3.616 -5.785) 6.822 2.894 ( -0.000 6.897 -9.897) 12.063 3.008 ( 0.000 -2.250 -3.200) 3.912 3.318 ( -0.000 2.196 -2.624) 3.422 3.448 ( 0.000 -12.544 -0.257) 12.547 3.795 ( 0.000 -3.185 7.928) 8.544 4.101 ( -0.000 3.834 21.809) 22.143 4.549 ( 0.000 1.014 14.327) 14.363 4.612 ( 0.000 -3.354 1.376) 3.625 4.621 ( -0.000 2.676 6.238) 6.788 4.837 ( 0.000 -0.451 21.448) 21.453 5.520 ( -0.000 1.169 3.912) 4.083 5.651 ( -0.000 3.048 -0.853) 3.165 5.813 ( 0.000 -5.317 2.106) 5.719 6.118 ( 0.000 -7.742 3.796) 8.622 6.587 ( -0.000 0.772 -10.992) 11.019 6.640 ( -0.000 5.027 -10.293) 11.455 6.911 ( 0.000 -8.309 0.992) 8.368 7.016 ( 0.000 -10.934 1.104) 10.990 7.475 ( -0.000 1.938 -35.189) 35.242 7.630 ( -0.000 7.274 8.066) 10.862 8.115 ( -0.000 2.147 -3.618) 4.207 8.367 ( -0.000 2.603 -0.190) 2.610 8.389 ( 0.000 -7.455 7.723) 10.734 8.516 ( 0.000 -3.478 -0.798) 3.569 8.745 ( -0.000 1.056 -4.196) 4.326 9.005 ( -0.000 0.534 -1.156) 1.273 9.215 ( -0.000 2.267 -2.612) 3.459 10.118 ( -0.000 6.558 16.435) 17.695 10.295 ( 0.000 -2.540 -7.464) 7.884 12.714 ( -0.000 1.397 9.872) 9.970 14.101 ( -0.000 5.556 -23.419) 24.069 14.190 ( 0.000 -2.971 2.457) 3.856 15.329 ( -0.000 1.081 -11.861) 11.910 ======================= Grid point 203 (119/135) ======================= q-point: (-0.28 0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 9.138 0.000 -0.000) 9.138 2.331 ( 9.170 0.000 -0.000) 9.170 2.893 ( -8.780 -0.000 0.000) 8.780 2.921 ( -3.199 -0.000 0.000) 3.199 2.978 ( 3.163 0.000 -0.000) 3.163 3.166 ( 2.490 0.000 -0.000) 2.490 3.455 ( 2.531 0.000 -0.000) 2.531 3.851 ( -7.339 -0.000 0.000) 7.339 4.191 ( -1.017 -0.000 0.000) 1.017 4.294 ( -1.942 -0.000 0.000) 1.942 4.546 ( 0.234 0.000 -0.000) 0.234 5.082 ( 6.511 0.000 -0.000) 6.511 5.247 ( -3.904 -0.000 0.000) 3.904 5.925 ( -36.126 -0.000 0.000) 36.126 5.986 ( -13.200 -0.000 0.000) 13.200 6.179 ( -20.919 -0.000 0.000) 20.919 6.490 ( 22.377 0.000 -0.000) 22.377 6.519 ( 20.812 0.000 -0.000) 20.812 7.066 ( -2.200 -0.000 0.000) 2.200 7.066 ( 4.286 0.000 -0.000) 4.286 7.077 ( 12.530 0.000 -0.000) 12.530 7.385 ( -10.612 -0.000 0.000) 10.612 7.389 ( -8.649 -0.000 0.000) 8.649 7.852 ( 6.906 0.000 -0.000) 6.906 8.094 ( -1.942 -0.000 0.000) 1.942 8.342 ( -4.672 -0.000 0.000) 4.672 8.426 ( 1.874 0.000 -0.000) 1.874 8.484 ( -3.626 -0.000 0.000) 3.626 8.768 ( -1.539 -0.000 0.000) 1.539 8.834 ( 13.286 0.000 -0.000) 13.286 9.234 ( 1.324 0.000 -0.000) 1.324 9.900 ( 10.181 0.000 -0.000) 10.181 13.451 ( -9.152 -0.000 0.000) 9.152 14.330 ( 2.944 0.000 -0.000) 2.944 14.406 ( 19.321 0.000 -0.000) 19.321 15.246 ( -13.840 -0.000 0.000) 13.840 ======================= Grid point 206 (120/135) ======================= q-point: ( 0.52 -0.39 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -6.050 11.882 3.733) 13.846 2.003 ( -9.253 14.800 9.324) 19.788 2.546 ( 1.101 -2.553 -2.500) 3.739 2.986 ( 2.044 -1.243 -1.721) 2.947 3.090 ( -2.115 -1.079 2.283) 3.294 3.350 ( 0.905 4.845 -3.609) 6.109 3.524 ( -4.268 -4.254 3.973) 7.218 3.710 ( -18.623 -2.413 6.192) 19.773 4.089 ( -17.129 1.274 1.511) 17.243 4.190 ( 2.654 -1.777 12.001) 12.419 4.384 ( 5.350 -1.777 11.618) 12.914 4.579 ( 2.687 2.537 0.092) 3.697 4.601 ( 0.150 -2.380 1.401) 2.766 5.433 ( 0.892 -0.575 2.057) 2.314 5.655 ( 4.192 -4.407 0.234) 6.086 5.758 ( -2.615 -1.401 1.969) 3.561 6.155 ( -7.017 -3.455 0.789) 7.861 6.759 ( -2.879 -0.322 -3.049) 4.206 6.847 ( -2.238 1.668 -6.976) 7.513 6.945 ( -4.663 -9.841 0.199) 10.892 6.985 ( -0.219 -7.004 0.707) 7.043 7.490 ( 0.440 4.763 5.025) 6.938 8.036 ( 4.189 2.173 -17.627) 18.248 8.146 ( 2.760 0.768 -2.702) 3.938 8.240 ( 0.117 -4.797 4.745) 6.748 8.390 ( 4.434 3.499 -3.947) 6.891 8.552 ( 2.671 -3.063 -8.314) 9.254 8.776 ( 3.617 0.602 -2.280) 4.318 8.894 ( 10.770 0.947 0.843) 10.844 9.245 ( 0.460 2.280 -0.483) 2.376 9.677 ( 5.636 5.005 18.138) 19.642 10.377 ( 4.323 1.015 -4.315) 6.191 12.665 ( -10.553 -0.375 4.564) 11.503 14.212 ( -5.182 -1.757 0.317) 5.481 14.529 ( -1.181 7.990 -13.824) 16.011 15.456 ( 9.619 -3.741 -8.097) 13.118 ======================= Grid point 211 (121/135) ======================= q-point: ( 0.51 -0.51 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -8.578 15.694 0.000) 17.886 2.188 ( -16.925 9.321 0.000) 19.322 2.536 ( 2.518 -1.061 -0.000) 2.732 2.968 ( 0.926 -10.801 -0.000) 10.841 3.016 ( 2.197 8.818 -0.000) 9.088 3.436 ( 0.268 -3.520 -0.000) 3.530 3.509 ( -1.761 5.409 0.000) 5.689 3.931 ( 7.744 -5.596 -0.000) 9.554 4.149 ( -20.900 -5.929 0.000) 21.725 4.185 ( 1.457 -0.612 -0.000) 1.580 4.548 ( -5.462 10.538 0.000) 11.869 4.565 ( -24.856 -0.634 0.000) 24.865 4.582 ( -2.543 -3.544 0.000) 4.362 5.423 ( -2.330 -2.457 0.000) 3.386 5.524 ( 5.599 -12.377 -0.000) 13.585 5.832 ( -5.142 2.338 0.000) 5.648 6.313 ( -8.520 4.711 0.000) 9.736 6.820 ( -1.143 -2.579 0.000) 2.821 7.004 ( -3.623 -1.000 0.000) 3.758 7.048 ( -5.731 -4.143 0.000) 7.072 7.082 ( -7.674 -8.027 0.000) 11.105 7.372 ( 5.273 2.204 -0.000) 5.715 8.051 ( 11.748 4.616 -0.000) 12.622 8.126 ( 2.494 -0.057 -0.000) 2.495 8.209 ( -1.739 -2.369 0.000) 2.939 8.215 ( 15.471 -1.819 -0.000) 15.578 8.604 ( 9.813 -0.107 -0.000) 9.814 8.651 ( 6.362 0.297 -0.000) 6.369 8.758 ( 1.833 0.848 -0.000) 2.020 9.242 ( 0.509 2.566 -0.000) 2.616 9.275 ( 8.253 3.215 -0.000) 8.857 10.294 ( 8.247 2.602 -0.000) 8.648 12.905 ( -15.637 -1.044 0.000) 15.671 14.335 ( -4.632 -0.979 0.000) 4.734 14.726 ( -5.347 7.692 0.000) 9.368 15.261 ( 17.078 -5.722 -0.000) 18.011 ======================= Grid point 219 (122/135) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -0.000 24.077 -0.000) 24.077 1.442 ( -0.000 20.656 -0.000) 20.656 2.499 ( -0.000 20.237 -0.000) 20.237 2.995 ( -0.000 0.888 -0.000) 0.888 3.072 ( -0.000 10.493 -0.000) 10.493 3.321 ( 0.000 -17.614 0.000) 17.614 3.350 ( -0.000 2.948 -0.000) 2.948 3.687 ( 0.000 -11.441 0.000) 11.441 3.883 ( -0.000 0.207 -0.000) 0.207 4.106 ( 0.000 -2.003 0.000) 2.003 4.311 ( -0.000 0.062 -0.000) 0.062 4.701 ( 0.000 -9.914 0.000) 9.914 4.703 ( 0.000 -3.374 0.000) 3.374 5.396 ( -0.000 1.451 -0.000) 1.451 5.730 ( 0.000 -5.621 0.000) 5.621 5.784 ( 0.000 -3.039 0.000) 3.039 6.187 ( 0.000 -2.754 0.000) 2.754 6.859 ( -0.000 2.079 -0.000) 2.079 6.860 ( 0.000 -4.621 0.000) 4.621 7.054 ( 0.000 -6.540 0.000) 6.540 7.189 ( 0.000 -20.580 0.000) 20.580 7.307 ( -0.000 8.046 -0.000) 8.046 8.190 ( -0.000 2.765 -0.000) 2.765 8.209 ( 0.000 -2.200 0.000) 2.200 8.281 ( 0.000 -6.296 0.000) 6.296 8.420 ( -0.000 5.388 -0.000) 5.388 8.766 ( -0.000 1.589 -0.000) 1.589 8.801 ( -0.000 1.944 -0.000) 1.944 9.018 ( -0.000 1.233 -0.000) 1.233 9.172 ( -0.000 5.598 -0.000) 5.598 9.344 ( -0.000 7.499 -0.000) 7.499 10.437 ( -0.000 1.897 -0.000) 1.897 12.510 ( 0.000 -1.284 0.000) 1.284 14.158 ( 0.000 -1.274 0.000) 1.274 14.461 ( -0.000 12.854 -0.000) 12.854 15.823 ( 0.000 -8.867 0.000) 8.867 ======================= Grid point 228 (123/135) ======================= q-point: (-0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 0.000 -0.000 0.135) 0.135 2.243 ( -0.000 0.000 -12.281) 12.281 2.548 ( 0.000 -0.000 12.407) 12.407 2.755 ( -0.000 0.000 -9.240) 9.240 2.921 ( -0.000 0.000 -1.369) 1.369 3.183 ( -0.000 0.000 -10.365) 10.365 3.415 ( 0.000 -0.000 7.920) 7.920 3.872 ( 0.000 -0.000 3.254) 3.254 4.466 ( 0.000 -0.000 7.212) 7.212 4.647 ( 0.000 -0.000 3.427) 3.427 4.948 ( 0.000 -0.000 26.453) 26.453 5.018 ( 0.000 -0.000 22.406) 22.406 5.301 ( 0.000 -0.000 22.437) 22.437 5.627 ( 0.000 -0.000 4.440) 4.440 5.709 ( -0.000 0.000 -1.088) 1.088 5.750 ( 0.000 -0.000 1.340) 1.340 6.194 ( 0.000 -0.000 11.787) 11.787 6.269 ( -0.000 0.000 -18.525) 18.525 6.430 ( -0.000 0.000 -18.071) 18.071 6.674 ( -0.000 0.000 -40.332) 40.332 6.872 ( 0.000 -0.000 1.495) 1.495 6.949 ( 0.000 -0.000 4.065) 4.065 7.914 ( 0.000 -0.000 10.340) 10.340 8.071 ( -0.000 0.000 -3.592) 3.592 8.413 ( 0.000 -0.000 2.824) 2.824 8.472 ( 0.000 -0.000 7.769) 7.769 8.482 ( 0.000 -0.000 0.881) 0.881 8.628 ( -0.000 0.000 -7.504) 7.504 8.985 ( -0.000 0.000 -1.124) 1.124 9.162 ( -0.000 0.000 -4.433) 4.433 10.056 ( -0.000 0.000 -11.343) 11.343 10.499 ( 0.000 -0.000 13.364) 13.364 12.990 ( 0.000 -0.000 13.542) 13.542 13.623 ( -0.000 0.000 -24.323) 24.323 14.196 ( 0.000 -0.000 1.887) 1.887 15.102 ( -0.000 0.000 -11.717) 11.717 ======================= Grid point 233 (124/135) ======================= q-point: ( 0.68 -0.43 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -3.021 -0.000 4.508) 5.427 2.374 ( -6.770 -0.000 10.524) 12.513 2.442 ( -0.800 0.000 -4.411) 4.483 2.917 ( 3.563 0.000 -2.122) 4.147 3.044 ( -2.370 0.000 -12.319) 12.545 3.352 ( -2.053 -0.000 1.775) 2.714 3.456 ( -13.767 -0.000 0.852) 13.793 3.905 ( -12.457 -0.000 10.080) 16.025 4.217 ( -9.666 -0.000 10.573) 14.326 4.451 ( 8.691 -0.000 8.938) 12.467 4.596 ( -0.784 -0.000 15.377) 15.397 4.700 ( -1.546 -0.000 4.213) 4.488 4.794 ( 3.060 -0.000 18.997) 19.242 5.484 ( 3.366 0.000 2.837) 4.402 5.638 ( 6.004 0.000 3.340) 6.870 5.794 ( -5.560 -0.000 2.113) 5.948 6.142 ( -9.948 -0.000 2.580) 10.277 6.617 ( -2.060 0.000 -12.699) 12.865 6.736 ( -0.519 0.000 -10.609) 10.622 6.882 ( -4.254 -0.000 1.544) 4.526 6.892 ( -2.100 -0.000 4.088) 4.596 7.462 ( 2.957 0.000 -35.103) 35.228 7.681 ( 2.743 -0.000 7.817) 8.284 8.095 ( 4.570 0.000 -3.611) 5.824 8.309 ( 0.077 -0.000 6.714) 6.714 8.372 ( 2.131 0.000 -2.032) 2.945 8.429 ( 4.787 0.000 0.083) 4.788 8.711 ( 4.253 0.000 -4.164) 5.952 8.922 ( 7.273 0.000 0.682) 7.305 9.237 ( -0.006 0.000 -2.078) 2.078 10.101 ( 7.486 -0.000 16.155) 17.805 10.235 ( 3.847 0.000 -9.062) 9.845 12.818 ( -8.180 -0.000 9.319) 12.400 14.116 ( 1.506 0.000 -16.272) 16.342 14.260 ( -7.158 -0.000 -7.144) 10.113 15.256 ( 7.594 0.000 -8.955) 11.742 ======================= Grid point 239 (125/135) ======================= q-point: (-0.33 0.45 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -8.319 -0.000 -0.740) 8.352 2.371 ( -12.036 -0.000 7.042) 13.944 2.487 ( 1.481 0.000 -1.683) 2.242 2.879 ( 0.504 -0.000 1.357) 1.448 3.231 ( 3.994 -0.000 5.559) 6.845 3.267 ( 1.027 0.000 -5.960) 6.047 3.622 ( -7.472 -0.000 4.142) 8.544 3.989 ( 12.295 0.000 10.948) 16.463 4.101 ( -18.750 -0.000 1.283) 18.794 4.302 ( 0.653 -0.000 11.265) 11.284 4.552 ( 0.357 -0.000 2.375) 2.401 4.563 ( -26.112 -0.000 -0.240) 26.113 4.723 ( -10.906 -0.000 2.917) 11.290 5.410 ( 7.269 0.000 3.743) 8.176 5.412 ( -1.140 -0.000 1.106) 1.588 5.872 ( -5.747 -0.000 1.365) 5.906 6.365 ( -11.905 -0.000 -0.399) 11.912 6.832 ( -2.461 -0.000 3.366) 4.170 6.916 ( -2.074 0.000 -4.285) 4.761 6.933 ( -3.161 0.000 -9.919) 10.411 6.987 ( -7.704 -0.000 0.195) 7.707 7.470 ( 5.077 -0.000 5.574) 7.540 7.946 ( 6.425 0.000 -17.826) 18.949 8.041 ( 12.048 0.000 -5.570) 13.273 8.220 ( -1.967 -0.000 3.088) 3.661 8.232 ( 11.848 0.000 2.646) 12.140 8.452 ( 3.327 0.000 -10.718) 11.222 8.606 ( 9.008 0.000 0.300) 9.013 8.773 ( 2.650 0.000 0.570) 2.711 9.249 ( 1.303 0.000 -0.508) 1.399 9.555 ( 10.239 -0.000 16.378) 19.316 10.265 ( 7.940 0.000 -4.848) 9.303 12.930 ( -14.584 -0.000 3.234) 14.939 14.289 ( -2.819 0.000 -3.928) 4.835 14.673 ( -6.695 0.000 -11.275) 13.113 15.153 ( 15.883 0.000 -4.263) 16.445 ======================= Grid point 245 (126/135) ======================= q-point: (-0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -2.105 -0.000 0.000) 2.105 2.457 ( 3.940 0.000 -0.000) 3.940 2.618 ( -16.279 -0.000 0.000) 16.279 2.872 ( -1.852 -0.000 0.000) 1.852 3.069 ( 5.209 0.000 -0.000) 5.209 3.255 ( 4.877 0.000 -0.000) 4.877 3.605 ( 11.319 0.000 -0.000) 11.319 3.705 ( -6.731 -0.000 0.000) 6.731 4.176 ( -0.462 -0.000 0.000) 0.462 4.283 ( -0.893 -0.000 0.000) 0.893 4.546 ( -0.222 -0.000 0.000) 0.222 5.072 ( -17.030 -0.000 0.000) 17.030 5.178 ( -34.739 -0.000 0.000) 34.739 5.221 ( 6.827 0.000 -0.000) 6.827 5.555 ( -17.094 -0.000 0.000) 17.094 5.976 ( -5.971 -0.000 0.000) 5.971 6.587 ( -7.725 -0.000 0.000) 7.725 6.775 ( 5.456 0.000 -0.000) 5.456 7.016 ( -2.686 -0.000 0.000) 2.686 7.168 ( -10.111 -0.000 0.000) 10.111 7.205 ( -7.452 -0.000 0.000) 7.452 7.213 ( 9.868 0.000 -0.000) 9.868 7.608 ( 30.880 0.000 -0.000) 30.880 7.992 ( 6.422 0.000 -0.000) 6.422 8.086 ( 1.075 0.000 -0.000) 1.075 8.253 ( -3.904 -0.000 0.000) 3.904 8.476 ( 2.744 0.000 -0.000) 2.744 8.513 ( 6.239 0.000 -0.000) 6.239 8.748 ( -0.176 -0.000 0.000) 0.176 9.094 ( 11.811 0.000 -0.000) 11.811 9.254 ( 0.702 0.000 -0.000) 0.702 10.119 ( 10.746 0.000 -0.000) 10.746 13.207 ( -14.127 -0.000 0.000) 14.127 14.370 ( 0.479 0.000 -0.000) 0.479 14.818 ( 20.139 0.000 -0.000) 20.139 14.976 ( -11.823 -0.000 0.000) 11.823 ======================= Grid point 249 (127/135) ======================= q-point: ( 0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -0.000 11.149 5.363) 12.372 1.905 ( -0.000 17.414 9.924) 20.044 2.559 ( 0.000 -2.715 -2.952) 4.011 3.021 ( -0.000 5.762 -2.252) 6.187 3.037 ( 0.000 -10.299 1.771) 10.450 3.375 ( 0.000 -0.613 -3.804) 3.853 3.477 ( 0.000 -7.574 -0.962) 7.635 3.507 ( -0.000 8.359 11.560) 14.266 3.906 ( -0.000 1.892 2.240) 2.932 4.212 ( 0.000 -0.877 12.066) 12.098 4.457 ( 0.000 -0.119 13.170) 13.171 4.588 ( 0.000 -6.715 0.891) 6.773 4.618 ( -0.000 2.915 -0.795) 3.021 5.448 ( -0.000 0.874 2.661) 2.801 5.673 ( -0.000 1.526 -1.169) 1.923 5.767 ( 0.000 -3.285 2.068) 3.882 6.068 ( 0.000 -9.929 1.244) 10.006 6.728 ( 0.000 -0.516 -3.743) 3.778 6.825 ( -0.000 1.775 -6.236) 6.484 6.895 ( 0.000 -9.870 0.498) 9.882 6.983 ( 0.000 -7.659 1.738) 7.853 7.491 ( -0.000 6.188 4.753) 7.803 8.081 ( -0.000 2.166 -17.912) 18.042 8.173 ( -0.000 0.539 -1.855) 1.932 8.241 ( 0.000 -5.921 5.628) 8.169 8.432 ( -0.000 4.438 -5.235) 6.863 8.581 ( 0.000 -2.834 -8.309) 8.779 8.808 ( -0.000 1.116 -1.855) 2.165 9.027 ( -0.000 0.589 -0.774) 0.973 9.248 ( -0.000 2.642 -0.660) 2.723 9.736 ( -0.000 5.237 18.992) 19.701 10.421 ( -0.000 0.176 -4.179) 4.183 12.549 ( 0.000 -0.182 5.431) 5.434 14.151 ( 0.000 -1.337 1.232) 1.818 14.522 ( -0.000 8.558 -14.793) 17.090 15.557 ( 0.000 -4.234 -8.898) 9.854 ======================= Grid point 254 (128/135) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -5.769 18.945 0.000) 19.804 1.882 ( -11.849 10.945 0.000) 16.131 2.578 ( 1.535 -1.904 -0.000) 2.446 2.982 ( 0.363 -15.365 -0.000) 15.369 3.049 ( 0.291 8.508 -0.000) 8.513 3.419 ( -1.254 4.118 0.000) 4.305 3.460 ( -2.108 4.835 0.000) 5.274 3.664 ( -18.882 -5.024 0.000) 19.539 4.048 ( -0.323 -0.536 0.000) 0.626 4.086 ( -14.475 -0.787 0.000) 14.496 4.252 ( 4.652 -0.967 -0.000) 4.751 4.583 ( -0.213 -6.555 0.000) 6.558 4.588 ( 3.557 4.288 -0.000) 5.571 5.410 ( 0.376 -0.495 -0.000) 0.622 5.654 ( 6.424 -7.568 -0.000) 9.927 5.736 ( -3.896 1.113 0.000) 4.052 6.147 ( -7.245 -3.346 0.000) 7.980 6.786 ( -1.641 -3.840 0.000) 4.176 6.918 ( -3.352 -2.007 0.000) 3.906 6.950 ( -4.943 -7.091 0.000) 8.643 6.981 ( -1.930 -4.130 0.000) 4.559 7.431 ( 1.123 4.672 -0.000) 4.805 8.167 ( 1.212 -0.906 -0.000) 1.514 8.187 ( 4.041 1.897 -0.000) 4.464 8.191 ( -0.165 -3.115 0.000) 3.120 8.433 ( 5.251 0.920 -0.000) 5.331 8.762 ( 4.253 1.930 -0.000) 4.670 8.803 ( 2.125 0.948 -0.000) 2.327 8.881 ( 13.557 0.595 -0.000) 13.570 9.251 ( 0.305 2.708 -0.000) 2.726 9.404 ( 4.317 3.697 -0.000) 5.684 10.423 ( 4.229 1.886 -0.000) 4.630 12.616 ( -11.384 -1.004 0.000) 11.428 14.207 ( -6.096 -1.276 0.000) 6.228 14.682 ( -0.183 9.594 0.000) 9.595 15.550 ( 10.454 -6.943 -0.000) 12.549 ======================= Grid point 276 (129/135) ======================= q-point: ( 0.63 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 0.000 -0.000 6.215) 6.215 2.298 ( 0.000 -0.000 11.010) 11.010 2.433 ( -0.000 0.000 -5.956) 5.956 2.961 ( -0.000 0.000 -1.127) 1.127 3.017 ( -0.000 0.000 -13.119) 13.119 3.253 ( 0.000 -0.000 6.767) 6.767 3.364 ( -0.000 0.000 -6.541) 6.541 3.763 ( 0.000 -0.000 8.154) 8.154 4.129 ( 0.000 -0.000 17.042) 17.042 4.555 ( 0.000 -0.000 20.190) 20.190 4.576 ( 0.000 -0.000 3.275) 3.275 4.693 ( 0.000 -0.000 2.303) 2.303 4.829 ( 0.000 -0.000 21.133) 21.133 5.535 ( 0.000 -0.000 4.173) 4.173 5.721 ( -0.000 0.000 -0.192) 0.192 5.723 ( 0.000 -0.000 1.081) 1.081 6.014 ( 0.000 -0.000 5.558) 5.558 6.594 ( -0.000 0.000 -11.692) 11.692 6.731 ( -0.000 0.000 -10.373) 10.373 6.838 ( 0.000 -0.000 1.607) 1.607 6.869 ( 0.000 -0.000 2.985) 2.985 7.493 ( -0.000 0.000 -35.942) 35.942 7.708 ( 0.000 -0.000 8.828) 8.828 8.139 ( -0.000 0.000 -2.639) 2.639 8.310 ( 0.000 -0.000 7.215) 7.215 8.397 ( -0.000 0.000 -1.680) 1.680 8.476 ( -0.000 0.000 -0.283) 0.283 8.755 ( -0.000 0.000 -4.404) 4.404 9.010 ( -0.000 0.000 -1.165) 1.165 9.237 ( -0.000 0.000 -2.562) 2.562 10.179 ( 0.000 -0.000 16.931) 16.931 10.274 ( -0.000 0.000 -8.945) 8.945 12.728 ( 0.000 -0.000 10.803) 10.803 14.156 ( -0.000 0.000 -24.767) 24.767 14.161 ( 0.000 -0.000 1.396) 1.396 15.335 ( -0.000 0.000 -10.040) 10.040 ======================= Grid point 282 (130/135) ======================= q-point: ( 0.62 -0.49 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -6.650 -0.000 1.708) 6.866 2.171 ( -7.000 -0.000 8.225) 10.801 2.510 ( 0.963 0.000 -2.590) 2.763 2.891 ( 0.537 -0.000 5.100) 5.129 3.233 ( -5.060 -0.000 5.001) 7.114 3.265 ( -0.802 0.000 -7.787) 7.829 3.501 ( -3.677 -0.000 -1.925) 4.151 3.708 ( -13.398 -0.000 5.382) 14.439 4.102 ( -16.727 -0.000 2.223) 16.874 4.171 ( 4.394 -0.000 11.863) 12.651 4.361 ( 5.532 -0.000 10.383) 11.764 4.547 ( -1.098 -0.000 4.250) 4.390 4.669 ( 0.925 0.000 0.120) 0.933 5.429 ( 1.940 -0.000 2.121) 2.874 5.577 ( 9.053 0.000 2.130) 9.300 5.762 ( -4.705 -0.000 0.972) 4.804 6.115 ( -12.032 -0.000 0.415) 12.039 6.762 ( -3.217 -0.000 0.094) 3.219 6.850 ( -3.830 -0.000 0.857) 3.925 6.885 ( -1.682 0.000 -4.577) 4.876 6.895 ( -1.592 0.000 -4.204) 4.495 7.538 ( 1.782 -0.000 5.321) 5.611 8.057 ( 4.085 0.000 -17.380) 17.853 8.155 ( 2.581 0.000 -1.941) 3.229 8.191 ( -0.919 -0.000 4.151) 4.251 8.434 ( 5.663 0.000 -0.385) 5.676 8.514 ( 2.415 0.000 -13.668) 13.880 8.781 ( 4.250 0.000 -2.509) 4.935 8.903 ( 10.476 0.000 1.090) 10.532 9.266 ( 0.568 0.000 -0.792) 0.975 9.724 ( 5.848 -0.000 18.808) 19.696 10.386 ( 3.778 0.000 -5.035) 6.294 12.662 ( -10.452 -0.000 5.134) 11.645 14.195 ( -4.901 -0.000 -0.128) 4.903 14.610 ( -0.607 0.000 -15.306) 15.319 15.415 ( 9.144 0.000 -5.569) 10.707 ======================= Grid point 288 (131/135) ======================= q-point: (-0.39 0.39 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -6.148 -0.000 0.000) 6.148 2.275 ( -16.368 -0.000 0.000) 16.368 2.514 ( 1.985 0.000 -0.000) 1.985 2.836 ( -1.802 -0.000 0.000) 1.802 3.171 ( 4.124 0.000 -0.000) 4.124 3.332 ( 2.298 0.000 -0.000) 2.298 3.586 ( -4.624 -0.000 0.000) 4.624 3.861 ( 12.173 0.000 -0.000) 12.173 4.090 ( -21.260 -0.000 0.000) 21.260 4.178 ( 0.969 0.000 -0.000) 0.969 4.536 ( -0.822 -0.000 0.000) 0.822 4.565 ( -27.481 -0.000 0.000) 27.481 4.695 ( -8.254 -0.000 0.000) 8.254 5.368 ( 7.917 0.000 -0.000) 7.917 5.400 ( -1.694 -0.000 0.000) 1.694 5.858 ( -5.636 -0.000 0.000) 5.636 6.370 ( -12.221 -0.000 0.000) 12.221 6.794 ( -1.731 -0.000 0.000) 1.731 6.945 ( -5.051 -0.000 0.000) 5.051 6.999 ( -5.214 -0.000 0.000) 5.214 7.057 ( -6.554 -0.000 0.000) 6.554 7.393 ( 6.515 0.000 -0.000) 6.515 8.113 ( 5.340 0.000 -0.000) 5.340 8.128 ( 2.648 0.000 -0.000) 2.648 8.178 ( 21.632 0.000 -0.000) 21.632 8.186 ( -2.685 -0.000 0.000) 2.685 8.602 ( 10.446 0.000 -0.000) 10.446 8.657 ( 7.198 0.000 -0.000) 7.198 8.766 ( 1.880 0.000 -0.000) 1.880 9.266 ( 0.500 0.000 -0.000) 0.500 9.305 ( 8.554 0.000 -0.000) 8.554 10.318 ( 8.200 0.000 -0.000) 8.200 12.895 ( -15.687 -0.000 0.000) 15.687 14.324 ( -5.287 -0.000 0.000) 5.287 14.806 ( -4.143 -0.000 0.000) 4.143 15.201 ( 16.697 0.000 -0.000) 16.697 ======================= Grid point 298 (132/135) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -0.000 12.251 -0.000) 12.251 1.789 ( -0.000 20.145 -0.000) 20.145 2.595 ( 0.000 -2.032 0.000) 2.032 2.985 ( 0.000 -17.543 0.000) 17.543 3.036 ( -0.000 3.549 -0.000) 3.549 3.405 ( -0.000 16.811 -0.000) 16.811 3.438 ( -0.000 5.612 -0.000) 5.612 3.474 ( 0.000 -10.907 0.000) 10.907 3.887 ( -0.000 0.154 -0.000) 0.154 4.081 ( 0.000 -0.836 0.000) 0.836 4.313 ( -0.000 0.070 -0.000) 0.070 4.578 ( 0.000 -8.219 0.000) 8.219 4.628 ( -0.000 2.290 -0.000) 2.290 5.418 ( -0.000 0.844 -0.000) 0.844 5.692 ( -0.000 0.312 -0.000) 0.312 5.738 ( 0.000 -1.790 0.000) 1.790 6.056 ( 0.000 -10.594 0.000) 10.594 6.768 ( 0.000 -4.460 0.000) 4.460 6.889 ( 0.000 -10.624 0.000) 10.624 6.891 ( -0.000 1.386 -0.000) 1.386 6.960 ( 0.000 -3.627 0.000) 3.627 7.439 ( -0.000 5.731 -0.000) 5.731 8.177 ( 0.000 -4.592 0.000) 4.592 8.193 ( 0.000 -0.081 0.000) 0.081 8.229 ( -0.000 1.495 -0.000) 1.495 8.481 ( -0.000 1.635 -0.000) 1.635 8.807 ( -0.000 2.336 -0.000) 2.336 8.827 ( -0.000 0.967 -0.000) 0.967 9.035 ( -0.000 0.631 -0.000) 0.631 9.253 ( -0.000 3.057 -0.000) 3.057 9.449 ( -0.000 3.849 -0.000) 3.849 10.466 ( -0.000 1.136 -0.000) 1.136 12.491 ( 0.000 -0.769 0.000) 0.769 14.138 ( 0.000 -0.810 0.000) 0.810 14.684 ( -0.000 10.263 -0.000) 10.263 15.661 ( 0.000 -7.886 0.000) 7.886 ======================= Grid point 326 (133/135) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.000 -0.000 4.280) 4.280 2.098 ( 0.000 -0.000 7.281) 7.281 2.523 ( -0.000 0.000 -3.125) 3.125 2.897 ( 0.000 -0.000 7.265) 7.265 3.135 ( 0.000 -0.000 4.039) 4.039 3.253 ( -0.000 0.000 -8.415) 8.415 3.468 ( -0.000 0.000 -3.269) 3.269 3.589 ( 0.000 -0.000 4.592) 4.592 3.929 ( 0.000 -0.000 4.135) 4.135 4.204 ( 0.000 -0.000 12.024) 12.024 4.456 ( 0.000 -0.000 13.008) 13.008 4.513 ( 0.000 -0.000 2.424) 2.424 4.684 ( -0.000 0.000 -0.359) 0.359 5.458 ( 0.000 -0.000 2.834) 2.834 5.706 ( 0.000 -0.000 0.508) 0.508 5.722 ( 0.000 -0.000 0.060) 0.060 5.939 ( 0.000 -0.000 1.966) 1.966 6.727 ( -0.000 0.000 -0.807) 0.807 6.809 ( 0.000 -0.000 1.054) 1.054 6.867 ( -0.000 0.000 -3.002) 3.002 6.880 ( -0.000 0.000 -4.100) 4.100 7.555 ( 0.000 -0.000 5.290) 5.290 8.101 ( -0.000 0.000 -17.307) 17.307 8.180 ( -0.000 0.000 -1.281) 1.281 8.181 ( 0.000 -0.000 4.558) 4.558 8.487 ( -0.000 0.000 -0.569) 0.569 8.541 ( -0.000 0.000 -14.604) 14.604 8.819 ( -0.000 0.000 -1.766) 1.766 9.032 ( -0.000 0.000 -0.806) 0.806 9.273 ( -0.000 0.000 -0.940) 0.940 9.785 ( 0.000 -0.000 19.687) 19.687 10.423 ( -0.000 0.000 -4.963) 4.963 12.548 ( 0.000 -0.000 5.967) 5.967 14.138 ( 0.000 -0.000 0.738) 0.738 14.608 ( -0.000 0.000 -16.355) 16.355 15.510 ( -0.000 0.000 -6.066) 6.066 ======================= Grid point 332 (134/135) ======================= q-point: (-0.44 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -10.876 -0.000 0.000) 10.876 2.064 ( -4.436 -0.000 0.000) 4.436 2.548 ( 1.419 0.000 -0.000) 1.419 2.799 ( -1.610 -0.000 0.000) 1.610 3.185 ( -4.294 -0.000 0.000) 4.294 3.351 ( -0.094 -0.000 0.000) 0.094 3.520 ( -1.899 -0.000 0.000) 1.899 3.664 ( -13.529 -0.000 0.000) 13.529 4.039 ( 4.348 0.000 -0.000) 4.348 4.081 ( -17.985 -0.000 0.000) 17.985 4.239 ( 5.098 0.000 -0.000) 5.098 4.511 ( -1.607 -0.000 0.000) 1.607 4.670 ( 1.461 0.000 -0.000) 1.461 5.405 ( 1.372 0.000 -0.000) 1.372 5.554 ( 10.159 0.000 -0.000) 10.159 5.752 ( -4.410 -0.000 0.000) 4.410 6.112 ( -12.618 -0.000 0.000) 12.618 6.747 ( -2.190 -0.000 0.000) 2.190 6.839 ( -4.018 -0.000 0.000) 4.018 6.938 ( -1.733 -0.000 0.000) 1.733 6.949 ( -3.764 -0.000 0.000) 3.764 7.477 ( 2.141 0.000 -0.000) 2.141 8.144 ( -1.343 -0.000 0.000) 1.343 8.176 ( 1.725 0.000 -0.000) 1.725 8.206 ( 3.499 0.000 -0.000) 3.499 8.439 ( 5.969 0.000 -0.000) 5.969 8.783 ( 4.618 0.000 -0.000) 4.618 8.812 ( 2.147 0.000 -0.000) 2.147 8.886 ( 13.769 0.000 -0.000) 13.769 9.276 ( 0.459 0.000 -0.000) 0.459 9.438 ( 4.455 0.000 -0.000) 4.455 10.441 ( 3.752 0.000 -0.000) 3.752 12.607 ( -11.260 -0.000 0.000) 11.260 14.195 ( -5.780 -0.000 0.000) 5.780 14.781 ( 0.479 0.000 -0.000) 0.479 15.476 ( 9.637 0.000 -0.000) 9.637 ======================= Grid point 377 (135/135) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.566 ( -0.000 0.000 0.000) 0.000 2.781 ( -0.000 0.000 0.000) 0.000 3.091 ( -0.000 0.000 0.000) 0.000 3.346 ( -0.000 0.000 0.000) 0.000 3.503 ( -0.000 0.000 0.000) 0.000 3.559 ( -0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.485 ( -0.000 0.000 0.000) 0.000 4.690 ( -0.000 0.000 0.000) 0.000 5.426 ( -0.000 0.000 0.000) 0.000 5.701 ( -0.000 0.000 0.000) 0.000 5.721 ( -0.000 0.000 0.000) 0.000 5.920 ( -0.000 0.000 0.000) 0.000 6.723 ( -0.000 0.000 0.000) 0.000 6.797 ( -0.000 0.000 0.000) 0.000 6.910 ( -0.000 0.000 0.000) 0.000 6.920 ( -0.000 0.000 0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 8.131 ( -0.000 0.000 0.000) 0.000 8.194 ( -0.000 0.000 0.000) 0.000 8.243 ( -0.000 0.000 0.000) 0.000 8.494 ( -0.000 0.000 0.000) 0.000 8.832 ( -0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 9.041 ( -0.000 0.000 0.000) 0.000 9.282 ( -0.000 0.000 0.000) 0.000 9.484 ( -0.000 0.000 0.000) 0.000 10.477 ( -0.000 0.000 0.000) 0.000 12.484 ( -0.000 0.000 0.000) 0.000 14.131 ( -0.000 0.000 0.000) 0.000 14.790 ( -0.000 0.000 0.000) 0.000 15.577 ( -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 3/25920 10.0 3199.037 3678.365 2896.285 -0.000 0.000 -0.000 3/25920 20.0 705.352 733.714 536.970 -0.000 0.000 -0.000 3/25920 30.0 252.150 250.475 189.609 -0.000 0.000 -0.000 3/25920 40.0 117.670 113.180 91.767 -0.000 0.000 -0.000 3/25920 50.0 65.976 61.626 53.661 -0.000 0.000 -0.000 3/25920 60.0 42.366 38.472 35.829 -0.000 0.000 -0.000 3/25920 70.0 30.030 26.543 26.267 -0.000 0.000 -0.000 3/25920 80.0 22.860 19.704 20.563 -0.000 0.000 -0.000 3/25920 90.0 18.323 15.439 16.864 -0.000 0.000 -0.000 3/25920 100.0 15.251 12.597 14.301 -0.000 0.000 -0.000 3/25920 110.0 13.056 10.599 12.430 -0.000 0.000 -0.000 3/25920 120.0 11.418 9.132 11.008 -0.000 0.000 -0.000 3/25920 130.0 10.153 8.018 9.890 -0.000 0.000 -0.000 3/25920 140.0 9.147 7.146 8.988 -0.000 0.000 -0.000 3/25920 150.0 8.329 6.447 8.244 -0.000 0.000 -0.000 3/25920 160.0 7.651 5.875 7.620 -0.000 0.000 -0.000 3/25920 170.0 7.079 5.399 7.088 -0.000 0.000 -0.000 3/25920 180.0 6.591 4.996 6.629 -0.000 0.000 -0.000 3/25920 190.0 6.168 4.651 6.228 -0.000 0.000 -0.000 3/25920 200.0 5.798 4.353 5.876 -0.000 0.000 -0.000 3/25920 210.0 5.472 4.092 5.563 -0.000 0.000 -0.000 3/25920 220.0 5.183 3.862 5.283 -0.000 0.000 -0.000 3/25920 230.0 4.923 3.657 5.031 -0.000 0.000 -0.000 3/25920 240.0 4.690 3.474 4.803 -0.000 0.000 -0.000 3/25920 250.0 4.478 3.310 4.595 -0.000 0.000 -0.000 3/25920 260.0 4.286 3.160 4.405 -0.000 0.000 -0.000 3/25920 270.0 4.110 3.025 4.231 -0.000 0.000 -0.000 3/25920 280.0 3.948 2.900 4.070 -0.000 0.000 -0.000 3/25920 290.0 3.799 2.786 3.922 -0.000 0.000 -0.000 3/25920 300.0 3.661 2.681 3.784 -0.000 0.000 -0.000 3/25920 310.0 3.533 2.584 3.656 -0.000 0.000 -0.000 3/25920 320.0 3.414 2.494 3.536 -0.000 0.000 -0.000 3/25920 330.0 3.303 2.411 3.424 -0.000 0.000 -0.000 3/25920 340.0 3.200 2.333 3.320 -0.000 0.000 -0.000 3/25920 350.0 3.102 2.259 3.221 -0.000 0.000 -0.000 3/25920 360.0 3.011 2.191 3.129 -0.000 0.000 -0.000 3/25920 370.0 2.925 2.127 3.041 -0.000 0.000 -0.000 3/25920 380.0 2.844 2.066 2.959 -0.000 0.000 -0.000 3/25920 390.0 2.767 2.009 2.881 -0.000 0.000 -0.000 3/25920 400.0 2.694 1.955 2.807 -0.000 0.000 -0.000 3/25920 410.0 2.626 1.904 2.736 -0.000 0.000 -0.000 3/25920 420.0 2.560 1.856 2.669 -0.000 0.000 -0.000 3/25920 430.0 2.498 1.810 2.606 -0.000 0.000 -0.000 3/25920 440.0 2.439 1.766 2.545 -0.000 0.000 -0.000 3/25920 450.0 2.383 1.725 2.488 -0.000 0.000 -0.000 3/25920 460.0 2.329 1.685 2.432 -0.000 0.000 -0.000 3/25920 470.0 2.278 1.647 2.380 -0.000 0.000 -0.000 3/25920 480.0 2.229 1.611 2.329 -0.000 0.000 -0.000 3/25920 490.0 2.182 1.577 2.281 -0.000 0.000 -0.000 3/25920 500.0 2.137 1.544 2.234 -0.000 0.000 -0.000 3/25920 510.0 2.094 1.512 2.190 -0.000 0.000 -0.000 3/25920 520.0 2.052 1.482 2.147 -0.000 0.000 -0.000 3/25920 530.0 2.013 1.453 2.106 -0.000 0.000 -0.000 3/25920 540.0 1.974 1.425 2.066 -0.000 0.000 -0.000 3/25920 550.0 1.938 1.398 2.028 -0.000 0.000 -0.000 3/25920 560.0 1.902 1.372 1.992 -0.000 0.000 -0.000 3/25920 570.0 1.868 1.347 1.956 -0.000 0.000 -0.000 3/25920 580.0 1.835 1.323 1.922 -0.000 0.000 -0.000 3/25920 590.0 1.803 1.300 1.889 -0.000 0.000 -0.000 3/25920 600.0 1.773 1.278 1.857 -0.000 0.000 -0.000 3/25920 610.0 1.743 1.256 1.827 -0.000 0.000 -0.000 3/25920 620.0 1.714 1.235 1.797 -0.000 0.000 -0.000 3/25920 630.0 1.687 1.215 1.768 -0.000 0.000 -0.000 3/25920 640.0 1.660 1.195 1.740 -0.000 0.000 -0.000 3/25920 650.0 1.634 1.177 1.713 -0.000 0.000 -0.000 3/25920 660.0 1.609 1.158 1.687 -0.000 0.000 -0.000 3/25920 670.0 1.584 1.141 1.661 -0.000 0.000 -0.000 3/25920 680.0 1.560 1.123 1.637 -0.000 0.000 -0.000 3/25920 690.0 1.537 1.107 1.613 -0.000 0.000 -0.000 3/25920 700.0 1.515 1.090 1.590 -0.000 0.000 -0.000 3/25920 710.0 1.494 1.075 1.567 -0.000 0.000 -0.000 3/25920 720.0 1.472 1.059 1.545 -0.000 0.000 -0.000 3/25920 730.0 1.452 1.045 1.524 -0.000 0.000 -0.000 3/25920 740.0 1.432 1.030 1.503 -0.000 0.000 -0.000 3/25920 750.0 1.413 1.016 1.483 -0.000 0.000 -0.000 3/25920 760.0 1.394 1.003 1.463 -0.000 0.000 -0.000 3/25920 770.0 1.376 0.989 1.444 -0.000 0.000 -0.000 3/25920 780.0 1.358 0.976 1.426 -0.000 0.000 -0.000 3/25920 790.0 1.340 0.964 1.407 -0.000 0.000 -0.000 3/25920 800.0 1.323 0.952 1.390 -0.000 0.000 -0.000 3/25920 810.0 1.307 0.940 1.372 -0.000 0.000 -0.000 3/25920 820.0 1.291 0.928 1.356 -0.000 0.000 -0.000 3/25920 830.0 1.275 0.917 1.339 -0.000 0.000 -0.000 3/25920 840.0 1.260 0.906 1.323 -0.000 0.000 -0.000 3/25920 850.0 1.245 0.895 1.308 -0.000 0.000 -0.000 3/25920 860.0 1.230 0.884 1.292 -0.000 0.000 -0.000 3/25920 870.0 1.216 0.874 1.277 -0.000 0.000 -0.000 3/25920 880.0 1.202 0.864 1.263 -0.000 0.000 -0.000 3/25920 890.0 1.188 0.854 1.248 -0.000 0.000 -0.000 3/25920 900.0 1.175 0.844 1.235 -0.000 0.000 -0.000 3/25920 910.0 1.162 0.835 1.221 -0.000 0.000 -0.000 3/25920 920.0 1.149 0.826 1.208 -0.000 0.000 -0.000 3/25920 930.0 1.137 0.817 1.195 -0.000 0.000 -0.000 3/25920 940.0 1.125 0.808 1.182 -0.000 0.000 -0.000 3/25920 950.0 1.113 0.799 1.169 -0.000 0.000 -0.000 3/25920 960.0 1.101 0.791 1.157 -0.000 0.000 -0.000 3/25920 970.0 1.090 0.783 1.145 -0.000 0.000 -0.000 3/25920 980.0 1.078 0.775 1.133 -0.000 0.000 -0.000 3/25920 990.0 1.067 0.767 1.122 -0.000 0.000 -0.000 3/25920 1000.0 1.057 0.759 1.111 -0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m11720.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:37:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|